,KEGG_code,CompoundName,ATC_label_class,ATC_full_code,BigGroup_ATC_class,SMILES,MW,logP,MR,TPSA,HBA1,HBD,HBA2,InChIKey,formula,cansmiNS,InChI,u1,u2,u3,u4,u5,u6,u7,u8,u9,u10,u11,ATC_KEGG,FP2,FP3,FP4,MACCS,nF,abonds,sbonds,dbonds,tbonds,rotors,atoms,bonds,HOMO,LUMO,CHIRAL,CHARGE,AGGREGATOR_PROBABILITY,CARCINOGENICITY_FN,CARCINOGENICITY_FN_AD,CARCINOGENICITY_FP,CARCINOGENICITY_FP_AD,URL_KEGG
0,D05864, Sodium monofluorophosphate (USP), Caries prophylactic agents,A01AA02,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)F,99.9862,0.0486,13.1521,67.34,3,2,3,DWYMPOCYEZONEA-UHFFFAOYSA-N,FH2O3P,OP(=O)(F)O,"InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)",-10.7069,-10.3727,-10.0872,-4.5394,-2.4732,-2.1237,1.5662,3.1255,3.4035,3.636,5.1953,D05864_A01AA02,0082000000000000008000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000006000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000,0000000000a000,000000000000000000000000000000000000000000000000000000000000200000000000080800,0000005000860000100000002086000826040a4008,1,0,5,1,0,0,7,6,0.865,14.81,0,0.0,1.58511e-31,+,0.5709,-,0.5709,https://www.genome.jp/dbget-bin/www_bget?dr:D05864
1,D05864, Sodium monofluorophosphate (USP), Fluoride,A12CD02,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)F,99.9862,0.0486,13.1521,67.34,3,2,3,DWYMPOCYEZONEA-UHFFFAOYSA-N,FH2O3P,OP(=O)(F)O,"InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)",-10.6997,-10.3749,-10.0872,-4.5394,-2.4691,-2.1265,1.5664,3.1267,3.4031,3.6332,5.1948,D05864_A12CD02,0082000000000000008000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000006000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000,0000000000a000,000000000000000000000000000000000000000000000000000000000000200000000000080800,0000005000860000100000002086000826040a4008,1,0,5,1,0,0,7,6,0.865,14.81,0,0.0,1.58511e-31,+,0.5709,-,0.5709,https://www.genome.jp/dbget-bin/www_bget?dr:D05864
2,D05241, Olaflur (USAN/INN), Caries prophylactic agents,A01AA03,ALIMENTARY TRACT AND METABOLISM,[N@@H+](CCCCCCCCCCCCCCCCCC)(CCC[NH+](CCO)CCO)CCO,460.777,2.3847,143.696,69.57,63,5,3,KRZCNRGNPAESDC-UHFFFAOYSA-P,C27H60N2O3++,CCCCCCCCCCCCCCCCCC[NH+](CCC[NH+](CCO)CCO)CCO,"InChI=1S/C27H58N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32/h30-32H,2-27H2,1H3/p+2",-6.0389,-6.0339,-4.606,-4.5929,-4.5486,-4.5153,1.5802,1.5825,2.4947,2.6046,3.0921,D05241_A01AA03,00220000000002001000040000000000000000100000000000000000000000001000100000000002100000100000000001020000002000000000000000000010080008000000280000000000020000000000014000002000a0010000000000000000002000000000000000008000000000040000000010000004000100000000,0100001c00e000,031840020400000000000000000000000000000000000000000000000000000000000000c02204,00000000000031000080324688582e820d264ef509,0,0,91,0,0,27,92,91,-12.604000000000001,-7.167999999999999,1,0.0,,-,7.1698,-,7.1698,https://www.genome.jp/dbget-bin/www_bget?dr:D05241
3,D00008, Hydrogen peroxide (USP), Antiinfectives and antiseptics for local oral treatment,A01AB02,ALIMENTARY TRACT AND METABOLISM,OO,34.0147,0.0174,5.2576,40.46,4,2,2,MHAJPDPJQMAIIY-UHFFFAOYSA-N,H2O2,OO,InChI=1S/H2O2/c1-2/h1-2H,-1.2514,-1.2513,0.8987,1.5853,-4.5486,-4.5153,0.0,0.0,-1.2514,-1.2513,0.8987,D00008_A01AB02,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000004000000000000000000000000000000000000000000000000000000000000000000,000000000000000018000000200000080404004008,0,0,3,0,0,0,4,3,-12.655,1.642,0,1.0,2.53818e-06,+,1.6440000000000001,-,1.6440000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00008
4,D00008, Hydrogen peroxide (USP), Other antiseptics and disinfectants,D08AX01,DERMATOLOGICALS,OO,34.0147,0.0174,5.2576,40.46,4,2,2,MHAJPDPJQMAIIY-UHFFFAOYSA-N,H2O2,OO,InChI=1S/H2O2/c1-2/h1-2H,-1.2514,-1.2514,0.8986,1.5854,-4.5486,-4.5153,0.0,0.0,-1.2514,-1.2514,0.8986,D00008_D08AX01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000004000000000000000000000000000000000000000000000000000000000000000000,000000000000000018000000200000080404004008,0,0,3,0,0,0,4,3,-12.655,1.642,0,1.0,2.53818e-06,+,1.6440000000000001,-,1.6440000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00008
5,D00008, Hydrogen peroxide (USP), Antiinfectives,S02AA06,SENSORY ORGANS,OO,34.0147,0.0174,5.2576,40.46,4,2,2,MHAJPDPJQMAIIY-UHFFFAOYSA-N,H2O2,OO,InChI=1S/H2O2/c1-2/h1-2H,-1.2514,-1.2514,0.8986,1.5853,-4.5486,-4.5153,0.0,0.0,-1.2514,-1.2514,0.8986,D00008_S02AA06,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000004000000000000000000000000000000000000000000000000000000000000000000,000000000000000018000000200000080404004008,0,0,3,0,0,0,4,3,-12.655,1.642,0,1.0,2.53818e-06,+,1.6440000000000001,-,1.6440000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00008
6,D07668, Chlorhexidine (INN), Antiinfectives and antiseptics for local oral treatment,A01AB03,ALIMENTARY TRACT AND METABOLISM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5071,-12.4425,-12.344000000000001,-12.1868,-11.9506,-11.6462,5.5888,5.6587,5.6654,5.9667,7.1231,D07668_A01AB03,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
7,D07668, Chlorhexidine (INN), Antiinfectives,B05CA02,BLOOD AND BLOOD FORMING ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.3987,-12.2123,-12.1952,-11.7677,-11.7121,-11.5441,5.3719,5.4505,5.5477,5.5861,6.8178,D07668_B05CA02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
8,D07668, Chlorhexidine (INN), Biguanides and amidines,D08AC02,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-13.0624,-12.715,-12.5731,-12.4442,-12.1362,-11.6604,5.5224,5.5378,5.6061,5.7433,6.928,D07668_D08AC02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
9,D07668, Chlorhexidine (INN), Medicated dressings with antiinfectives,D09AA12,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5821,-12.5569,-12.4389,-11.6696,-11.6178,-11.4708,5.3829,5.4309,5.4906,5.5207,6.8439,D07668_D09AA12,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
10,D07668, Chlorhexidine (INN), Antiseptics,R02AA05,RESPIRATORY SYSTEM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4021,-12.3875,-12.2744,-11.9317,-11.8619,-11.7268,5.3834,5.4775,5.5049,5.597,6.8726,D07668_R02AA05,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
11,D07668, Chlorhexidine (INN), Other antiinfectives,S01AX09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5803,-11.987,-11.8917,-11.2232,-11.1946,-11.1064,5.3621,5.3629,5.4147,5.4907,6.6382,D07668_S01AX09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
12,D07668, Chlorhexidine (INN), Antiinfectives,S02AA09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.364,-12.3555,-12.3191,-12.1203,-11.7993,-11.7568,5.466,5.5344,5.5515,5.611000000000001,6.9979,D07668_S02AA09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
13,D07668, Chlorhexidine (INN), Antiinfectives,S03AA04,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4593,-12.3858,-12.3406,-11.8391,-11.8106,-11.7943,5.4118,5.4584,5.4749,5.5011,6.8712,D07668_S03AA04,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.234,-11.863,0,0.0,5.7811e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07668
14,D00858, Chlorhexidine gluconate (JP17/USP), Antiinfectives and antiseptics for local oral treatment,A01AB03,ALIMENTARY TRACT AND METABOLISM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5267,-12.4305,-12.3578,-11.8576,-11.7436,-11.4844,5.2912,5.4479,5.5452,5.5844,6.7856,D00858_A01AB03,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
15,D00858, Chlorhexidine gluconate (JP17/USP), Antiinfectives,B05CA02,BLOOD AND BLOOD FORMING ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5195,-12.3986,-12.3398,-11.8009,-11.7546,-11.7204,5.3673,5.4194,5.4538,5.4822,6.8479,D00858_B05CA02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
16,D00858, Chlorhexidine gluconate (JP17/USP), Biguanides and amidines,D08AC02,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4682,-12.3756,-12.2381,-12.1686,-11.8377,-11.7973,5.4708,5.5387,5.5579,5.6681,6.8869,D00858_D08AC02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
17,D00858, Chlorhexidine gluconate (JP17/USP), Medicated dressings with antiinfectives,D09AA12,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5468,-12.5051,-12.2832,-11.823,-11.7899,-11.7484,5.4858,5.5128,5.519,5.6056,6.8451,D00858_D09AA12,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
18,D00858, Chlorhexidine gluconate (JP17/USP), Antiseptics,R02AA05,RESPIRATORY SYSTEM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.373,-12.3466,-12.3356,-12.2637,-11.7617,-11.7123,5.4704,5.5303,5.5316,5.6445,6.5644,D00858_R02AA05,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
19,D00858, Chlorhexidine gluconate (JP17/USP), Other antiinfectives,S01AX09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4959,-12.3945,-12.3558,-12.0404,-11.7954,-11.7819,5.4556,5.5385,5.6159,5.6977,6.9904,D00858_S01AX09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
20,D00858, Chlorhexidine gluconate (JP17/USP), Antiinfectives,S02AA09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-13.0784,-12.2767,-12.2533,-12.0877,-11.8603,-11.1546,5.3178,5.3388,5.4565,5.8285,7.2251,D00858_S02AA09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
21,D00858, Chlorhexidine gluconate (JP17/USP), Antiinfectives,S03AA04,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.465,-12.4211,-12.3969,-11.9294,-11.8607,-11.7053,5.4021,5.4207,5.4244,5.513,6.7553,D00858_S03AA04,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.869000000000002,0,0.0,6.223109999999999e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D00858
22,D01345, Chlorhexidine hydrochloride (JP17/USAN), Antiinfectives and antiseptics for local oral treatment,A01AB03,ALIMENTARY TRACT AND METABOLISM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4385,-12.431,-12.4205,-11.8477,-11.7359,-11.6714,5.3749,5.4266,5.5711,5.6362,6.6276,D01345_A01AB03,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
23,D01345, Chlorhexidine hydrochloride (JP17/USAN), Antiinfectives,B05CA02,BLOOD AND BLOOD FORMING ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.418,-12.3912,-12.2185,-11.9893,-11.7717,-11.7303,5.4008,5.5358,5.5964,5.69,6.9579,D01345_B05CA02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
24,D01345, Chlorhexidine hydrochloride (JP17/USAN), Biguanides and amidines,D08AC02,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.3327,-12.2119,-12.1848,-11.9541,-11.7213,-11.6313,5.4322,5.4366,5.5295,5.691,6.9456,D01345_D08AC02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
25,D01345, Chlorhexidine hydrochloride (JP17/USAN), Medicated dressings with antiinfectives,D09AA12,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4257,-12.4096,-12.3449,-11.556,-11.5515,-11.4254,5.3693,5.3902,5.4296,5.4586,6.7407,D01345_D09AA12,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
26,D01345, Chlorhexidine hydrochloride (JP17/USAN), Antiseptics,R02AA05,RESPIRATORY SYSTEM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4793,-12.4101,-12.4056,-11.8368,-11.5329,-11.4218,5.3822,5.4169,5.4601,5.57,6.914,D01345_R02AA05,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
27,D01345, Chlorhexidine hydrochloride (JP17/USAN), Other antiinfectives,S01AX09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.6295,-12.4462,-12.2032,-11.7355,-11.5461,-11.3332,5.3034,5.3217,5.5011,5.5744,6.7324,D01345_S01AX09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
28,D01345, Chlorhexidine hydrochloride (JP17/USAN), Antiinfectives,S02AA09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4617,-12.4377,-12.4033,-11.9054,-11.8471,-11.7694,5.4499,5.5182,5.5552,5.6971,6.9555,D01345_S02AA09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
29,D01345, Chlorhexidine hydrochloride (JP17/USAN), Antiinfectives,S03AA04,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4706,-12.3657,-12.3224,-11.8428,-11.8316,-11.6499,5.3335,5.4473,5.4865,5.4909,6.7242,D01345_S03AA04,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227,-11.87,0,,5.7719900000000005e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D01345
30,D03463, Chlorhexidine phosphanilate (USAN), Antiinfectives and antiseptics for local oral treatment,A01AB03,ALIMENTARY TRACT AND METABOLISM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4094,-12.276,-12.1247,-11.8046,-11.7877,-11.5439,5.4283,5.4522,5.4699,5.5302,6.8278,D03463_A01AB03,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
31,D03463, Chlorhexidine phosphanilate (USAN), Antiinfectives,B05CA02,BLOOD AND BLOOD FORMING ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.6023,-12.4111,-12.383,-11.8441,-11.7205,-11.6061,5.3556,5.4587,5.4622,5.5304,6.9206,D03463_B05CA02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
32,D03463, Chlorhexidine phosphanilate (USAN), Biguanides and amidines,D08AC02,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4136,-12.3446,-12.3435,-11.7972,-11.7561,-11.6612,5.4019,5.4163,5.5187,5.5309,6.787999999999999,D03463_D08AC02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
33,D03463, Chlorhexidine phosphanilate (USAN), Medicated dressings with antiinfectives,D09AA12,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4757,-12.4573,-12.3059,-11.7998,-11.747,-11.6469,5.3516,5.4163,5.5166,5.5185,6.8605,D03463_D09AA12,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
34,D03463, Chlorhexidine phosphanilate (USAN), Antiseptics,R02AA05,RESPIRATORY SYSTEM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.464,-12.4387,-12.1828,-12.0262,-11.4348,-11.3716,5.2846,5.4459,5.4636,5.4853,6.9187,D03463_R02AA05,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
35,D03463, Chlorhexidine phosphanilate (USAN), Other antiinfectives,S01AX09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.425,-12.4223,-12.3715,-11.9154,-11.8292,-11.7957,5.4053,5.4481,5.5846,5.5864,6.9049,D03463_S01AX09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
36,D03463, Chlorhexidine phosphanilate (USAN), Antiinfectives,S02AA09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.6326,-12.2214,-12.1903,-12.1674,-11.6208,-11.3717,5.4345,5.4673,5.4902,5.5361,6.7572,D03463_S02AA09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
37,D03463, Chlorhexidine phosphanilate (USAN), Antiinfectives,S03AA04,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.6264,-12.317,-12.2216,-11.9882,-11.6937,-11.5438,5.4139,5.4191,5.5502,5.5809,6.8215,D03463_S03AA04,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.869000000000002,0,0.0,5.8004999999999996e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D03463
38,D07669, Chlorhexidine acetate (USP), Antiinfectives and antiseptics for local oral treatment,A01AB03,ALIMENTARY TRACT AND METABOLISM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5898,-12.3647,-12.3376,-12.2991,-11.5329,-11.2019,5.3329,5.371,5.67,5.7539,6.9314,D07669_A01AB03,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
39,D07669, Chlorhexidine acetate (USP), Antiinfectives,B05CA02,BLOOD AND BLOOD FORMING ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4829,-12.4662,-12.4304,-11.8807,-11.7767,-11.7164,5.4499,5.5227,5.5835,5.6293,6.8282,D07669_B05CA02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
40,D07669, Chlorhexidine acetate (USP), Biguanides and amidines,D08AC02,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4117,-12.3869,-12.3571,-11.9616,-11.8503,-11.6586,5.4232,5.4848,5.5185,5.646,6.9116,D07669_D08AC02,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
41,D07669, Chlorhexidine acetate (USP), Medicated dressings with antiinfectives,D09AA12,DERMATOLOGICALS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.3995,-12.3198,-12.2858,-11.7451,-11.7179,-11.4747,5.4059,5.4999,5.5171,5.5393,6.7575,D07669_D09AA12,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
42,D07669, Chlorhexidine acetate (USP), Antiseptics,R02AA05,RESPIRATORY SYSTEM,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5706,-12.5482,-12.1901,-11.7132,-11.5311,-10.9906,5.3825,5.4257,5.4292,5.4467,6.7475,D07669_R02AA05,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
43,D07669, Chlorhexidine acetate (USP), Other antiinfectives,S01AX09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.8816,-12.3406,-12.2749,-11.7204,-11.5766,-11.3072,5.4386,5.4864,5.5077,5.518,6.7306,D07669_S01AX09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
44,D07669, Chlorhexidine acetate (USP), Antiinfectives,S02AA09,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.4977,-12.2284,-12.1269,-11.8659,-11.8243,-11.8087,5.4733,5.5409,5.5431,7.0621,7.2047,D07669_S02AA09,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
45,D07669, Chlorhexidine acetate (USP), Antiinfectives,S03AA04,SENSORY ORGANS,c1(NC(=[NH2])NC(=[NH2])NCCCCCCNC(=[NH2])NC(=[NH2])Nc2ccc(cc2)Cl)ccc(cc1)Cl,509.478,7.1406,147.278,176.26,44,10,6,QZENBIWUJQPOMN-UHFFFAOYSA-N,C22H34Cl2N10,[NH2]=C(NC(=[NH2])Nc1ccc(cc1)Cl)NCCCCCCNC(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C22H34Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12,29-34H,1-4,13-14,25-28H2",-12.5708,-12.4715,-12.3589,-11.6683,-11.6558,-11.6366,5.3446,5.3597,5.4763,5.5715,6.9622,D07669_S03AA04,00420206010008800000060010900001800000300000084000000000002011001000100000000220100103180001024001000000002000080000000000000400000030004000000000000000041000020288014006002002e20800000002000001200000040000000000000000000000000e0000000010001000000106800000,0000000000b001,0200c0000000000000000000000000000040000000040000000000000000000000000200402800,000000010004100000b04a06c84660807522452d17,0,12,53,4,0,17,68,69,-17.227999999999998,-11.864,0,1.0,5.78855e-09,+,3.4657,-,3.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D07669
46,D00203, Amphotericin B (JP17/USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB04,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H]([C@H](C[C@](O1)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O)C)O)C)C)O)O)O)O)O)O)O)C(=O)O,925.087,-0.0051,240.31599999999997,321.23,90,12,17,APKFDSVGJQXUKY-INPOYWNPSA-O,C47H74NO17+,OC1CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CC=CC=CC=CC(C(C(C(OC(=O)CC(C1)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O)C(=O)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/p+1/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",-5.3992,-5.3691,-5.3188,-4.5845,-4.4507,-4.4164,2.398,2.4077,2.4537,2.5022,2.574,D00203_A01AB04,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090004000020040a80010010000200000040008002800020100a00040013cc000078180000100000000048140040500,0500022c30e007,1728c000040180410000a80000000000000000000000000000000000000000000000847ac32a05,0000000000003101800000478789a0e49d5df7fa1d,0,0,132,9,0,3,139,141,-6.343,-2.506,19,0.0,5.31129e-05,+,8.1935,+,8.1935,https://www.genome.jp/dbget-bin/www_bget?dr:D00203
47,D00203, Amphotericin B (JP17/USP/INN), Antibiotics,A07AA07,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H]([C@H](C[C@](O1)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O)C)O)C)C)O)O)O)O)O)O)O)C(=O)O,925.087,-0.0051,240.31599999999997,321.23,90,12,17,APKFDSVGJQXUKY-INPOYWNPSA-O,C47H74NO17+,OC1CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CC=CC=CC=CC(C(C(C(OC(=O)CC(C1)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O)C(=O)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/p+1/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",-5.3996,-5.3692,-5.3203,-4.5806,-4.4446,-4.4167,2.4289,2.447,2.4995,2.5049,2.5817,D00203_A07AA07,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090004000020040a80010010000200000040008002800020100a00040013cc000078180000100000000048140040500,0500022c30e007,1728c000040180410000a80000000000000000000000000000000000000000000000847ac32a05,0000000000003101800000478789a0e49d5df7fa1d,0,0,132,9,0,3,139,141,-6.343,-2.506,19,0.0,5.31129e-05,+,8.1935,+,8.1935,https://www.genome.jp/dbget-bin/www_bget?dr:D00203
48,D00203, Amphotericin B (JP17/USP/INN), Antibiotics,G01AA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@@H]([C@H](C[C@](O1)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O)C)O)C)C)O)O)O)O)O)O)O)C(=O)O,925.087,-0.0051,240.31599999999997,321.23,90,12,17,APKFDSVGJQXUKY-INPOYWNPSA-O,C47H74NO17+,OC1CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CC=CC=CC=CC(C(C(C(OC(=O)CC(C1)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O)C(=O)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/p+1/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",-5.3997,-5.3697,-5.3213,-4.5765,-4.4383,-4.417,2.4438,2.4529,2.4615,2.5027,2.5935,D00203_G01AA03,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090004000020040a80010010000200000040008002800020100a00040013cc000078180000100000000048140040500,0500022c30e007,1728c000040180410000a80000000000000000000000000000000000000000000000847ac32a05,0000000000003101800000478789a0e49d5df7fa1d,0,0,132,9,0,3,139,141,-6.343,-2.506,19,0.0,5.31129e-05,+,8.1935,+,8.1935,https://www.genome.jp/dbget-bin/www_bget?dr:D00203
49,D00203, Amphotericin B (JP17/USP/INN), Antibiotics,J02AA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@@H]([C@H](C[C@](O1)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O)C)O)C)C)O)O)O)O)O)O)O)C(=O)O,925.087,-0.0051,240.31599999999997,321.23,90,12,17,APKFDSVGJQXUKY-INPOYWNPSA-O,C47H74NO17+,OC1CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CC=CC=CC=CC(C(C(C(OC(=O)CC(C1)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O)C(=O)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/p+1/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",-5.3998,-5.3701,-5.3204,-4.5779,-4.4399,-4.4169,2.455,2.4586,2.4608,2.5021,2.5873,D00203_J02AA01,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090004000020040a80010010000200000040008002800020100a00040013cc000078180000100000000048140040500,0500022c30e007,1728c000040180410000a80000000000000000000000000000000000000000000000847ac32a05,0000000000003101800000478789a0e49d5df7fa1d,0,0,132,9,0,3,139,141,-6.343,-2.506,19,0.0,5.31129e-05,+,8.1935,+,8.1935,https://www.genome.jp/dbget-bin/www_bget?dr:D00203
50,D01588, Domiphen bromide (JAN/USAN/INN), Antiinfectives and antiseptics for local oral treatment,A01AB06,ALIMENTARY TRACT AND METABOLISM,c1ccc(cc1)OCC[N+](C)(C)CCCCCCCCCCCC,334.559,6.0627,107.413,9.23,41,0,1,YXUPZGKORWTXID-UHFFFAOYSA-N,C22H40NO+,CCCCCCCCCCCC[N+](CCOc1ccccc1)(C)C,"InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1",-4.8681,-4.6456,-4.4521,-4.1529,-1.5599,-1.0776,1.3266,1.3649,1.3683,1.4358,1.6728,D01588_A01AB06,00020000000002000000060000020000010000100000000000000000000000001000100000000012100004180000000001020200002000000000000000000010080008000110080100000000020080000080014000002000c0080000000000000000002000000002000000008010000002060000080010200800000100200004,0100000050f001,030042040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001000002305008d82fe209529cb51f,0,6,58,0,0,15,64,64,-12.054,-3.965,0,1.0,0.310629129,-,2.0049,-,2.0049,https://www.genome.jp/dbget-bin/www_bget?dr:D01588
51,D05321, Oxyquinoline (USAN), Antiinfectives and antiseptics for local oral treatment,A01AB07,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D05321_A01AB07,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D05321
52,D05321, Oxyquinoline (USAN), Quinoline derivatives,D08AH03,DERMATOLOGICALS,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D05321_D08AH03,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D05321
53,D05321, Oxyquinoline (USAN), Quinoline derivatives,G01AC30,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D05321_G01AC30,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D05321
54,D05321, Oxyquinoline (USAN), Antiseptics,R02AA14,RESPIRATORY SYSTEM,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D05321_R02AA14,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D05321
55,D02414, Oxyquinoline sulfate (NF), Antiinfectives and antiseptics for local oral treatment,A01AB07,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D02414_A01AB07,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D02414
56,D02414, Oxyquinoline sulfate (NF), Quinoline derivatives,D08AH03,DERMATOLOGICALS,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D02414_D08AH03,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D02414
57,D02414, Oxyquinoline sulfate (NF), Quinoline derivatives,G01AC30,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D02414_G01AC30,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D02414
58,D02414, Oxyquinoline sulfate (NF), Antiseptics,R02AA14,RESPIRATORY SYSTEM,c1ccc2c(c1O)nccc2,145.158,1.9404,43.766000000000005,33.12,9,1,2,MCJGNVYPOGVAJF-UHFFFAOYSA-N,C9H7NO,Oc1cccc2c1nccc2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",-2.0477,-1.8922,-1.0568,-0.9959,-0.6491,-0.4602,0.3658,0.4788,0.4848,0.5547,0.8727,D02414_R02AA14,000000000000040000000200000000000000000000000000000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000000400002080000008000000400000040080000000000000000200000000002040000000000040000020000004000600800000002000000,0000000402b001,000000000000000000000000000000000000000000019000000000000000000000004600400000,00000000000000000100004012010141004581181f,0,11,8,0,0,0,18,19,-8.829,-0.6,0,1.0,0.023655802000000004,-,0.285,-,0.285,https://www.genome.jp/dbget-bin/www_bget?dr:D02414
59,D00416, Miconazole (JP17/USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB09,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3767,-2.3714,-0.841,-0.7588,-0.6113,-0.6022,0.4795,0.5924,1.0053,1.0204,1.0715,D00416_A01AB09,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
60,D00416, Miconazole (JP17/USP/INN), Imidazole derivatives,A07AC01,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3932,-2.3713,-0.8586,-0.7771,-0.6027,-0.5811,0.4825,0.5215,0.7982,1.0105,1.0848,D00416_A07AC01,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
61,D00416, Miconazole (JP17/USP/INN), Imidazole and triazole derivatives,D01AC02,DERMATOLOGICALS,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3428,-2.325,-0.8548,-0.7133,-0.6119,-0.5756,0.4669,0.6186,0.9159999999999999,0.9989,1.0152,D00416_D01AC02,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
62,D00416, Miconazole (JP17/USP/INN), Imidazole derivatives,G01AF04,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.4178,-2.3489,-0.8361,-0.8031,-0.7737,-0.6138,0.4979,0.6793,0.9454,0.9955,1.0644,D00416_G01AF04,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
63,D00416, Miconazole (JP17/USP/INN), Imidazole derivatives,J02AB01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3841,-2.331,-0.9971,-0.8086,-0.8004,-0.5915,0.508,0.5853,0.9875,1.0366,1.0434,D00416_J02AB01,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
64,D00416, Miconazole (JP17/USP/INN), Antiinfectives,S02AA13,SENSORY ORGANS,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3669,-2.3542,-0.846,-0.7491,-0.6009,-0.5778,0.4759,0.5335,0.7748,1.0066,1.0695,D00416_S02AA13,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.513,-0.423,1,-2.0,0.9729354379999999,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00416
65,D00882, Miconazole nitrate (JP17/USP), Antiinfectives and antiseptics for local oral treatment,A01AB09,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3671,-2.3543,-0.8462,-0.7474,-0.6008,-0.5773,0.4741,0.5294,0.7733,1.0071,1.069,D00882_A01AB09,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
66,D00882, Miconazole nitrate (JP17/USP), Imidazole derivatives,A07AC01,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.378,-2.3609,-0.8492,-0.7676,-0.6005,-0.5776,0.4807,0.5185,0.7867,1.0071,1.0694,D00882_A07AC01,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
67,D00882, Miconazole nitrate (JP17/USP), Imidazole and triazole derivatives,D01AC02,DERMATOLOGICALS,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3903,-2.3751,-0.8524,-0.7802,-0.6939,-0.6017,0.4852,0.7535,0.9705,1.0118,1.0878,D00882_D01AC02,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
68,D00882, Miconazole nitrate (JP17/USP), Imidazole derivatives,G01AF04,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3857,-2.3703,-0.8425,-0.7779,-0.6072,-0.5974,0.4831,0.7469,0.9417,1.0087,1.0813,D00882_G01AF04,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
69,D00882, Miconazole nitrate (JP17/USP), Imidazole derivatives,J02AB01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.381,-2.3562,-0.8396,-0.7642,-0.6098,-0.6007,0.4768,0.5836,1.0091,1.0127,1.0737,D00882_J02AB01,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
70,D00882, Miconazole nitrate (JP17/USP), Antiinfectives,S02AA13,SENSORY ORGANS,c1(cc(c(cc1)CO[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,BYBLEWFAAKGYCD-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3575,-2.3483,-0.8237,-0.7744,-0.6113,-0.5965,0.4655,0.7864,0.9129,1.0046,1.0637,D00882_S02AA13,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.511000000000001,-0.42100000000000004,1,,0.973235428,+,0.8061,+,0.8061,https://www.genome.jp/dbget-bin/www_bget?dr:D00882
71,D00884, Natamycin (USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB10,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)[NH3+])O)C)O[C@@H]1C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]2[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/1)C)O2)O)O)O)C(=O)O,666.7330000000001,-0.5971,167.128,232.61,60,7,13,NCXMLFZGDNKEPB-JFKWLZDRSA-O,C33H48NO13+,CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)[NH3+])O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/p+1/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32-,33-/m1/s1",-5.3881,-5.359,-5.358,-4.7235,-4.5872,-4.4006,2.3428,2.3745,2.3966,2.4153,3.0055,D00884_A01AB10,100000040000e2240000040040020000200000a40060400000140000001400001200000800a04007801a00102000100001a0000090a0c131000000000000a2000c902a000404000000008a022880021c0190004000020040a80010010000200100040028802a00020108a000c0013cc000078180000100000000048140040500,0500022c30e007,17a8c000040080410000a80000000000000100000000000000000000000000000000cc7ac37a04,008020000000310180000045878184e49c4df3fa1d,0,0,91,7,0,3,95,98,-6.647,-2.116,14,0.0,0.008761214,+,4.6696,+,4.6696,https://www.genome.jp/dbget-bin/www_bget?dr:D00884
72,D00884, Natamycin (USP/INN), Antibiotics,A07AA03,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)[NH3+])O)C)O[C@@H]1C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]2[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/1)C)O2)O)O)O)C(=O)O,666.7330000000001,-0.5971,167.128,232.61,60,7,13,NCXMLFZGDNKEPB-JFKWLZDRSA-O,C33H48NO13+,CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)[NH3+])O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/p+1/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32-,33-/m1/s1",-5.3879,-5.3592,-5.3586,-4.7276,-4.5871,-4.4015,2.3435,2.3748,2.3961,2.4193,3.0055,D00884_A07AA03,100000040000e2240000040040020000200000a40060400000140000001400001200000800a04007801a00102000100001a0000090a0c131000000000000a2000c902a000404000000008a022880021c0190004000020040a80010010000200100040028802a00020108a000c0013cc000078180000100000000048140040500,0500022c30e007,17a8c000040080410000a80000000000000100000000000000000000000000000000cc7ac37a04,008020000000310180000045878184e49c4df3fa1d,0,0,91,7,0,3,95,98,-6.647,-2.116,14,0.0,0.008761214,+,4.6696,+,4.6696,https://www.genome.jp/dbget-bin/www_bget?dr:D00884
73,D00884, Natamycin (USP/INN), Antibiotics,D01AA02,DERMATOLOGICALS,[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)[NH3+])O)C)O[C@@H]1C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]2[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/1)C)O2)O)O)O)C(=O)O,666.7330000000001,-0.5971,167.128,232.61,60,7,13,NCXMLFZGDNKEPB-JFKWLZDRSA-O,C33H48NO13+,CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)[NH3+])O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/p+1/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32-,33-/m1/s1",-5.388999999999999,-5.3609,-5.3575,-4.7098,-4.5859,-4.4065,2.3575,2.3776,2.3936,2.4036,2.9946,D00884_D01AA02,100000040000e2240000040040020000200000a40060400000140000001400001200000800a04007801a00102000100001a0000090a0c131000000000000a2000c902a000404000000008a022880021c0190004000020040a80010010000200100040028802a00020108a000c0013cc000078180000100000000048140040500,0500022c30e007,17a8c000040080410000a80000000000000100000000000000000000000000000000cc7ac37a04,008020000000310180000045878184e49c4df3fa1d,0,0,91,7,0,3,95,98,-6.647,-2.116,14,0.0,0.008761214,+,4.6696,+,4.6696,https://www.genome.jp/dbget-bin/www_bget?dr:D00884
74,D00884, Natamycin (USP/INN), Antibiotics,G01AA02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)[NH3+])O)C)O[C@@H]1C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]2[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/1)C)O2)O)O)O)C(=O)O,666.7330000000001,-0.5971,167.128,232.61,60,7,13,NCXMLFZGDNKEPB-JFKWLZDRSA-O,C33H48NO13+,CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)[NH3+])O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/p+1/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32-,33-/m1/s1",-5.3862,-5.3629,-5.3592,-4.7059,-4.5863,-4.3993,1.9473,2.3653,2.392,2.3945,3.0034,D00884_G01AA02,100000040000e2240000040040020000200000a40060400000140000001400001200000800a04007801a00102000100001a0000090a0c131000000000000a2000c902a000404000000008a022880021c0190004000020040a80010010000200100040028802a00020108a000c0013cc000078180000100000000048140040500,0500022c30e007,17a8c000040080410000a80000000000000100000000000000000000000000000000cc7ac37a04,008020000000310180000045878184e49c4df3fa1d,0,0,91,7,0,3,95,98,-6.647,-2.116,14,0.0,0.008761214,+,4.6696,+,4.6696,https://www.genome.jp/dbget-bin/www_bget?dr:D00884
75,D00884, Natamycin (USP/INN), Antibiotics,S01AA10,SENSORY ORGANS,[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)[NH3+])O)C)O[C@@H]1C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]2[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/1)C)O2)O)O)O)C(=O)O,666.7330000000001,-0.5971,167.128,232.61,60,7,13,NCXMLFZGDNKEPB-JFKWLZDRSA-O,C33H48NO13+,CC1CC=CC=CC=CC=CC(OC2OC(C)C(C(C2O)[NH3+])O)CC2OC(CC(CC3C(C=CC(=O)O1)O3)O)(O)CC(C2C(=O)O)O,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/p+1/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32-,33-/m1/s1",-5.3875,-5.3591,-5.3584,-4.7244,-4.5871,-4.4005,2.3421,2.3742,2.397,2.4082,3.0057,D00884_S01AA10,100000040000e2240000040040020000200000a40060400000140000001400001200000800a04007801a00102000100001a0000090a0c131000000000000a2000c902a000404000000008a022880021c0190004000020040a80010010000200100040028802a00020108a000c0013cc000078180000100000000048140040500,0500022c30e007,17a8c000040080410000a80000000000000100000000000000000000000000000000cc7ac37a04,008020000000310180000045878184e49c4df3fa1d,0,0,91,7,0,3,95,98,-6.647,-2.116,14,0.0,0.008761214,+,4.6696,+,4.6696,https://www.genome.jp/dbget-bin/www_bget?dr:D00884
76,D07068, Hexetidine (INN), Antiinfectives and antiseptics for local oral treatment,A01AB12,ALIMENTARY TRACT AND METABOLISM,[N@H+]1(C[C@@](C[N@@H+](C1)C[C@H](CCCC)CC)(C)[NH3+])C[C@@H](CCCC)CC,342.626,4.2991,120.49799999999999,36.52,48,3,0,DTOUUUZOYKYHEP-WKCHPHFGSA-Q,C21H48N3+++,CCCCC(C[NH+]1C[NH+](CC(CCCC)CC)CC(C1)(C)[NH3+])CC,"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20+,21-",-9.4559,-9.4276,-6.0959,-6.0366,-5.3229999999999995,-5.3122,2.8891,3.2129,3.4099,3.4213,3.6062,D07068_A01AB12,0022000000000a001000040000000008000000100000000000000000000001001000100201000000100001300001000001020000402000000000000000000000000000000000000000000000023000010000014000002000a00102000000000000200020040000000000000000000000000c0000000010000004000100000000,0100000000e001,0700c0000400000000000000000000000000000000000000000000000000000000000400c02204,000000080004310002d432068ac8ae8315335cad15,0,0,72,0,0,12,72,72,-17.262,-11.968,4,1.0,5.204680000000001e-13,+,1.1488,-,1.1488,https://www.genome.jp/dbget-bin/www_bget?dr:D07068
77,D07068, Hexetidine (INN), Other antiinfectives and antiseptics,G01AX16,GENITO URINARY SYSTEM AND SEX HORMONES,[N@H+]1(C[C@@](C[N@@H+](C1)C[C@H](CCCC)CC)(C)[NH3+])C[C@@H](CCCC)CC,342.626,4.2991,120.49799999999999,36.52,48,3,0,DTOUUUZOYKYHEP-WKCHPHFGSA-Q,C21H48N3+++,CCCCC(C[NH+]1C[NH+](CC(CCCC)CC)CC(C1)(C)[NH3+])CC,"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20+,21-",-9.2631,-9.165,-6.138,-6.0218,-5.3321,-5.3299,2.9301,2.9846,3.0276,3.1305,3.3267,D07068_G01AX16,0022000000000a001000040000000008000000100000000000000000000001001000100201000000100001300001000001020000402000000000000000000000000000000000000000000000023000010000014000002000a00102000000000000200020040000000000000000000000000c0000000010000004000100000000,0100000000e001,0700c0000400000000000000000000000000000000000000000000000000000000000400c02204,000000080004310002d432068ac8ae8315335cad15,0,0,72,0,0,12,72,72,-17.262,-11.968,4,1.0,5.204680000000001e-13,+,1.1488,-,1.1488,https://www.genome.jp/dbget-bin/www_bget?dr:D07068
78,D00201, Tetracycline (JAN/USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB13,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9982,-5.7445,-5.2453,-4.6104,-4.5889999999999995,-4.2116,1.9932,2.2024,2.2871,2.5041,2.9153,D00201_A01AB13,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
79,D00201, Tetracycline (JAN/USP/INN), Tetracycline and derivatives,D06AA04,DERMATOLOGICALS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9971,-5.7453,-5.2505,-4.6094,-4.593999999999999,-4.2091,1.994,2.2027,2.276,2.5084,2.9161,D00201_D06AA04,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
80,D00201, Tetracycline (JAN/USP/INN), Tetracyclines,J01AA07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9985,-5.7419,-5.2385,-4.6123,-4.5866,-4.2073,1.9946,2.2031,2.2928,2.5018,2.9184,D00201_J01AA07,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
81,D00201, Tetracycline (JAN/USP/INN), Antibiotics,S01AA09,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9888,-5.7454,-5.2413,-4.609,-4.5953,-4.2106,1.9965,2.2031,2.2863,2.4909,2.9125,D00201_S01AA09,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
82,D00201, Tetracycline (JAN/USP/INN), Antiinfectives,S02AA08,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9968,-5.7483,-5.2403,-4.61,-4.5946,-4.2103,1.9947,2.2036,2.2687,2.5083,2.9168,D00201_S02AA08,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
83,D00201, Tetracycline (JAN/USP/INN), Antiinfectives,S03AA02,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9857,-5.7456,-5.2407,-4.6132,-4.5943,-4.21,1.9956,2.2034,2.2838,2.4918,2.9121,D00201_S03AA02,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.508,-4.997,5,0.0,0.001120703,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D00201
84,D02122, Tetracycline hydrochloride (JP17/USP), Antiinfectives and antiseptics for local oral treatment,A01AB13,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9979,-5.7456,-5.2396,-4.6125,-4.5888,-4.21,1.9942,2.2034,2.2805,2.5059,2.917,D02122_A01AB13,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
85,D02122, Tetracycline hydrochloride (JP17/USP), Tetracycline and derivatives,D06AA04,DERMATOLOGICALS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9947,-5.7441,-5.2478,-4.61,-4.5945,-4.2101,1.996,2.2041,2.2903,2.5107,2.9158,D02122_D06AA04,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
86,D02122, Tetracycline hydrochloride (JP17/USP), Tetracyclines,J01AA07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9972,-5.7433,-5.2402,-4.6085,-4.5944,-4.2102,1.9946,2.2048,2.2819,2.5122,2.9173,D02122_J01AA07,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
87,D02122, Tetracycline hydrochloride (JP17/USP), Antibiotics,S01AA09,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9963,-5.7477,-5.2399,-4.6121,-4.5903,-4.2097,1.9932,2.2030000000000003,2.27,2.5057,2.9158,D02122_S01AA09,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
88,D02122, Tetracycline hydrochloride (JP17/USP), Antiinfectives,S02AA08,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9925,-5.7436,-5.239,-4.6136,-4.5892,-4.2099,1.9952,2.2022,2.2881,2.472,2.9144,D02122_S02AA08,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
89,D02122, Tetracycline hydrochloride (JP17/USP), Antiinfectives,S03AA02,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H](C1)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,445.44300000000004,-0.9312,111.476,182.82,34,7,9,OFVLGDICTFRJMM-WESIUVDSSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1/t9-,10-,15-,21+,22-/m0/s1",-5.9957,-5.7413,-5.2445,-4.6121,-4.5888,-4.2093,1.9957,2.1997,2.2925,2.5039,2.9133,D02122_S03AA02,000ec100000002f40240060002400004800000900042400001460088001020001400540080c00007f007021800054000012a03001020e500200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c100000203c08240800039000a063100021b9022088800cb30000700,1500004d02f001,07484002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a9194294fcfbfa1f,0,6,49,5,0,2,57,60,-11.394,-5.0489999999999995,5,0.0,0.001623756,+,3.4874,-,3.4874,https://www.genome.jp/dbget-bin/www_bget?dr:D02122
90,D07069, Benzoxonium chloride (INN), Antiinfectives and antiseptics for local oral treatment,A01AB14,ALIMENTARY TRACT AND METABOLISM,C(CCCCCCCCCC[N+](CCO)(Cc1ccccc1)CCO)C,364.585,4.9089,113.01799999999999,40.46,44,2,2,BTAFSOGRDASALR-UHFFFAOYSA-N,C23H42NO2+,CCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO,"InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1",-6.0238,-4.7583,-4.6932,-4.6692,-2.0316,-2.0158,1.7051,1.8224,1.8334,1.8455,2.5693,D07069_A01AB14,000200000000062000000600000100000000009000000000000000c0000000001000500000000002108000180000000001020000002000000000000200000010080008000004280000000000020800000080014000002000c0080000000000000010002200000000000000008000000000060100000110000000000108000000,0100001c00f001,031840040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001000000324488d82e820d060cf51f,0,6,62,0,0,17,68,68,-12.56,-4.1339999999999995,0,1.0,0.30693101899999997,-,2.1551,-,2.1551,https://www.genome.jp/dbget-bin/www_bget?dr:D07069
91,D07069, Benzoxonium chloride (INN), Quaternary ammonium compounds,D08AJ05,DERMATOLOGICALS,C(CCCCCCCCCC[N+](CCO)(Cc1ccccc1)CCO)C,364.585,4.9089,113.01799999999999,40.46,44,2,2,BTAFSOGRDASALR-UHFFFAOYSA-N,C23H42NO2+,CCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO,"InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1",-6.0309,-4.7581,-4.6886,-4.6809,-2.0269,-2.0045,1.671,1.8307,1.8384,1.8398,2.5734,D07069_D08AJ05,000200000000062000000600000100000000009000000000000000c0000000001000500000000002108000180000000001020000002000000000000200000010080008000004280000000000020800000080014000002000c0080000000000000010002200000000000000008000000000060100000110000000000108000000,0100001c00f001,031840040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001000000324488d82e820d060cf51f,0,6,62,0,0,17,68,68,-12.56,-4.1339999999999995,0,1.0,0.30693101899999997,-,2.1551,-,2.1551,https://www.genome.jp/dbget-bin/www_bget?dr:D07069
92,D02712, Tibezonium iodide (INN), Antiinfectives and antiseptics for local oral treatment,A01AB15,ALIMENTARY TRACT AND METABOLISM,c12N=C(CC(=Nc1cccc2)SCC[N+](C)(CC)CC)c1ccc(cc1)Sc1ccccc1,474.704,6.4831,152.871,75.32,36,0,4,MAJFXTGRPADJLU-UHFFFAOYSA-N,C28H32N3S2+,CC[N+](CCSC1=Nc2ccccc2N=C(C1)c1ccc(cc1)Sc1ccccc1)(CC)C,"InChI=1S/C28H32N3S2/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23/h6-18H,4-5,19-21H2,1-3H3/q+1",-4.7749,-4.7317,-4.7135,-4.6845,-3.7179,-2.1254,1.4428,1.4466,1.4635,1.6865,1.8759,D02712_A01AB15,600611030000004036000600080a084020100000004400400900109800000880190840040003802100018408070100e00100200040002082000410020098001400000808c000041400800540060001011080006004403188414808220009000400000000100000100000808000000401200e1108400102200012a44206001001,0100000000f121,030050040400080000008000000040000000000000000000000000000000000000004640c02a03,00000420004001a400e0b11018c9ee8341b31dad17,0,18,48,2,0,9,65,68,-10.211,-4.232,0,0.0,0.983950078,+,1.797,-,1.797,https://www.genome.jp/dbget-bin/www_bget?dr:D02712
93,D00409, Metronidazole (JP17/USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB17,ALIMENTARY TRACT AND METABOLISM,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6578,-4.5999,-1.9385,-1.9241,-1.8275,-1.6588,1.0270000000000001,1.0631,1.2375,1.2673,2.0529,D00409_A01AB17,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-2.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D00409
94,D00409, Metronidazole (JP17/USP/INN), Other chemotherapeutics,D06BX01,DERMATOLOGICALS,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6511,-4.6059,-1.9481,-1.9263,-1.8352,-1.7106,1.034,1.0653,1.2012,1.3464,2.0498,D00409_D06BX01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-2.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D00409
95,D00409, Metronidazole (JP17/USP/INN), Imidazole derivatives,G01AF01,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6955,-4.5983,-1.935,-1.9232,-1.8242,-1.6874,1.0256,1.0625,1.2590000000000001,1.2811,2.0603,D00409_G01AF01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-2.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D00409
96,D00409, Metronidazole (JP17/USP/INN), Imidazole derivatives,J01XD01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6926,-4.598,-1.9357,-1.9246,-1.8248,-1.6794,1.0256,1.063,1.249,1.2767,2.0593,D00409_J01XD01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-2.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D00409
97,D00409, Metronidazole (JP17/USP/INN), Nitroimidazole derivatives,P01AB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6659,-4.6069,-1.9392,-1.9229,-1.8288,-1.6237,1.0296,1.0619,1.2102,1.2299,2.0589,D00409_P01AB01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-2.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D00409
98,D05016, Metronidazole hydrochloride (USAN), Antiinfectives and antiseptics for local oral treatment,A01AB17,ALIMENTARY TRACT AND METABOLISM,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6557,-4.6259,-2.415,-2.3495,-1.9404,-1.9199,1.1627,1.1657,1.2967,2.0237,2.0595,D05016_A01AB17,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-1.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D05016
99,D05016, Metronidazole hydrochloride (USAN), Other chemotherapeutics,D06BX01,DERMATOLOGICALS,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6958,-4.6004,-1.9409,-1.9246,-1.8303,-1.6625,1.0333,1.0642,1.254,1.2727,2.0538,D05016_D06BX01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-1.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D05016
100,D05016, Metronidazole hydrochloride (USAN), Imidazole derivatives,G01AF01,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6952,-4.5982,-1.9351,-1.9236,-1.8242,-1.6892,1.0255,1.0624,1.2615,1.2784,2.0603,D05016_G01AF01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-1.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D05016
101,D05016, Metronidazole hydrochloride (USAN), Imidazole derivatives,J01XD01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.649,-4.6281,-2.349,-2.2901,-1.9411,-1.9209,1.129,1.1686,1.2679,2.0003,2.0594,D05016_J01XD01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-1.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D05016
102,D05016, Metronidazole hydrochloride (USAN), Nitroimidazole derivatives,P01AB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)CCO,172.162,0.5066,41.6653,87.71,14,2,3,LPWRXWFLLCVRHS-UHFFFAOYSA-N,C6H10N3O3,OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)",-5.6751,-4.6242,-2.4123,-2.3922,-1.9363,-1.921,1.1421,1.1676,1.2966,2.0498,2.062,D05016_P01AB01,0000000800000840000846000c4000003000000000000440800000c00000000000000004000000231000001000000680000020800000400000080000000000001c800c008008824000001000001001000090004008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100001c00f001,011800000000000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814071d416e4a958e80b5ea72efd1b,0,5,16,1,0,3,22,22,-9.993,-1.632,0,-1.0,0.009173466,-,0.8636,-,0.8636,https://www.genome.jp/dbget-bin/www_bget?dr:D05016
103,D05017, Metronidazole phosphate (USAN), Antiinfectives and antiseptics for local oral treatment,A01AB17,ALIMENTARY TRACT AND METABOLISM,n1(c(cnc1C)[N](=O)O)CCOP(=O)(O)O,252.142,0.6236,52.5756,144.05,16,3,6,ODCZJQJTMSQVRR-UHFFFAOYSA-N,C6H11N3O6P,O[N](=O)c1cnc(n1CCOP(=O)(O)O)C,"InChI=1S/C6H11N3O6P/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,10,11)(H2,12,13,14)",-10.5522,-10.5507,-10.2484,-7.5229,-5.6958,-4.6045,2.9505,2.9855,3.0397,3.4948,5.0918,D05017_A01AB17,0080000800000840000846000c4000003000010000000446800000c00000000000000004000000231008001400000680022020800000400000080000200004001c840c008008824020001200001001000090004008800008e010060000210054c00c080000400000000000004400080120048110080030801200000006400000,0100000000f001,010000000000000000000000000000000000000000009800000000000010200000000640c03a00,000080102084814071d414e629dae82bdeaf2efd1b,0,5,20,2,0,5,27,27,0.348,3.074,0,2.0,7.42758e-22,-,0.4843,-,0.4843,https://www.genome.jp/dbget-bin/www_bget?dr:D05017
104,D05017, Metronidazole phosphate (USAN), Other chemotherapeutics,D06BX01,DERMATOLOGICALS,n1(c(cnc1C)[N](=O)O)CCOP(=O)(O)O,252.142,0.6236,52.5756,144.05,16,3,6,ODCZJQJTMSQVRR-UHFFFAOYSA-N,C6H11N3O6P,O[N](=O)c1cnc(n1CCOP(=O)(O)O)C,"InChI=1S/C6H11N3O6P/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,10,11)(H2,12,13,14)",-10.5448,-10.5339,-10.2675,-7.5396,-5.7138,-4.6359,2.9945,2.9953,3.0065,3.4616,5.0676,D05017_D06BX01,0080000800000840000846000c4000003000010000000446800000c00000000000000004000000231008001400000680022020800000400000080000200004001c840c008008824020001200001001000090004008800008e010060000210054c00c080000400000000000004400080120048110080030801200000006400000,0100000000f001,010000000000000000000000000000000000000000009800000000000010200000000640c03a00,000080102084814071d414e629dae82bdeaf2efd1b,0,5,20,2,0,5,27,27,0.348,3.074,0,2.0,7.42758e-22,-,0.4843,-,0.4843,https://www.genome.jp/dbget-bin/www_bget?dr:D05017
105,D05017, Metronidazole phosphate (USAN), Imidazole derivatives,G01AF01,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cnc1C)[N](=O)O)CCOP(=O)(O)O,252.142,0.6236,52.5756,144.05,16,3,6,ODCZJQJTMSQVRR-UHFFFAOYSA-N,C6H11N3O6P,O[N](=O)c1cnc(n1CCOP(=O)(O)O)C,"InChI=1S/C6H11N3O6P/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,10,11)(H2,12,13,14)",-10.5506,-10.5473,-10.2347,-7.5059,-5.6626,-4.6078,3.0137,3.0219,3.0546,3.4476,5.0712,D05017_G01AF01,0080000800000840000846000c4000003000010000000446800000c00000000000000004000000231008001400000680022020800000400000080000200004001c840c008008824020001200001001000090004008800008e010060000210054c00c080000400000000000004400080120048110080030801200000006400000,0100000000f001,010000000000000000000000000000000000000000009800000000000010200000000640c03a00,000080102084814071d414e629dae82bdeaf2efd1b,0,5,20,2,0,5,27,27,0.348,3.074,0,2.0,7.42758e-22,-,0.4843,-,0.4843,https://www.genome.jp/dbget-bin/www_bget?dr:D05017
106,D05017, Metronidazole phosphate (USAN), Imidazole derivatives,J01XD01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)CCOP(=O)(O)O,252.142,0.6236,52.5756,144.05,16,3,6,ODCZJQJTMSQVRR-UHFFFAOYSA-N,C6H11N3O6P,O[N](=O)c1cnc(n1CCOP(=O)(O)O)C,"InChI=1S/C6H11N3O6P/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,10,11)(H2,12,13,14)",-10.5345,-10.5302,-10.2515,-7.5278,-5.6599,-4.6523,3.0124,3.0429,3.4638,3.7195,5.0878,D05017_J01XD01,0080000800000840000846000c4000003000010000000446800000c00000000000000004000000231008001400000680022020800000400000080000200004001c840c008008824020001200001001000090004008800008e010060000210054c00c080000400000000000004400080120048110080030801200000006400000,0100000000f001,010000000000000000000000000000000000000000009800000000000010200000000640c03a00,000080102084814071d414e629dae82bdeaf2efd1b,0,5,20,2,0,5,27,27,0.348,3.074,0,2.0,7.42758e-22,-,0.4843,-,0.4843,https://www.genome.jp/dbget-bin/www_bget?dr:D05017
107,D05017, Metronidazole phosphate (USAN), Nitroimidazole derivatives,P01AB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)CCOP(=O)(O)O,252.142,0.6236,52.5756,144.05,16,3,6,ODCZJQJTMSQVRR-UHFFFAOYSA-N,C6H11N3O6P,O[N](=O)c1cnc(n1CCOP(=O)(O)O)C,"InChI=1S/C6H11N3O6P/c1-5-7-4-6(9(10)11)8(5)2-3-15-16(12,13)14/h4H,2-3H2,1H3,(H,10,11)(H2,12,13,14)",-10.5441,-10.5305,-10.2599,-7.5111,-5.6776,-4.6059,2.9843,3.0223,3.0249,3.4445,5.0794,D05017_P01AB01,0080000800000840000846000c4000003000010000000446800000c00000000000000004000000231008001400000680022020800000400000080000200004001c840c008008824020001200001001000090004008800008e010060000210054c00c080000400000000000004400080120048110080030801200000006400000,0100000000f001,010000000000000000000000000000000000000000009800000000000010200000000640c03a00,000080102084814071d414e629dae82bdeaf2efd1b,0,5,20,2,0,5,27,27,0.348,3.074,0,2.0,7.42758e-22,-,0.4843,-,0.4843,https://www.genome.jp/dbget-bin/www_bget?dr:D05017
108,D08214, Metronidazole benzoate (USP), Antiinfectives and antiseptics for local oral treatment,A01AB17,ALIMENTARY TRACT AND METABOLISM,n1(c(cnc1C)[N](=O)O)CCOC(=O)c1ccccc1,276.268,2.3713,71.304,93.78,19,1,4,WTCUQKOETZORQM-UHFFFAOYSA-N,C13H14N3O4,O=C(c1ccccc1)OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C13H14N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)",-5.6770000000000005,-4.6075,-4.2814,-2.8827,-1.9369,-1.8249,1.0624,1.0788,1.2693,1.5330000000000001,2.0596,D08214_A01AB17,00000008000008c0000846000c4200003000000000020c40802000c0000400000400400400000023300a221800000680001020800000401000080002000022001c800c028018824000001900009001000090004008900008e018060000010054000c080000000000004000005000080120060190040330801208000006400000,0500000030f005,010000000000000000009000000000000001000000009800000000000000000000000640c03a00,000080002000814071d414e42958e82fdaaf2eff1f,0,11,22,2,0,6,34,35,-9.98,-1.5659999999999998,0,1.0,0.170461595,+,0.8397,-,0.8397,https://www.genome.jp/dbget-bin/www_bget?dr:D08214
109,D08214, Metronidazole benzoate (USP), Other chemotherapeutics,D06BX01,DERMATOLOGICALS,n1(c(cnc1C)[N](=O)O)CCOC(=O)c1ccccc1,276.268,2.3713,71.304,93.78,19,1,4,WTCUQKOETZORQM-UHFFFAOYSA-N,C13H14N3O4,O=C(c1ccccc1)OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C13H14N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)",-5.6782,-4.5987,-4.2238,-2.9114,-1.9412,-1.8330000000000002,1.0654,1.0804,1.2357,1.5403,2.0515,D08214_D06BX01,00000008000008c0000846000c4200003000000000020c40802000c0000400000400400400000023300a221800000680001020800000401000080002000022001c800c028018824000001900009001000090004008900008e018060000010054000c080000000000004000005000080120060190040330801208000006400000,0500000030f005,010000000000000000009000000000000001000000009800000000000000000000000640c03a00,000080002000814071d414e42958e82fdaaf2eff1f,0,11,22,2,0,6,34,35,-9.98,-1.5659999999999998,0,1.0,0.170461595,+,0.8397,-,0.8397,https://www.genome.jp/dbget-bin/www_bget?dr:D08214
110,D08214, Metronidazole benzoate (USP), Imidazole derivatives,G01AF01,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cnc1C)[N](=O)O)CCOC(=O)c1ccccc1,276.268,2.3713,71.304,93.78,19,1,4,WTCUQKOETZORQM-UHFFFAOYSA-N,C13H14N3O4,O=C(c1ccccc1)OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C13H14N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)",-5.6829,-4.6473,-4.2425,-2.8954,-1.954,-1.8374,1.0591,1.078,1.2772,1.5349,2.0738,D08214_G01AF01,00000008000008c0000846000c4200003000000000020c40802000c0000400000400400400000023300a221800000680001020800000401000080002000022001c800c028018824000001900009001000090004008900008e018060000010054000c080000000000004000005000080120060190040330801208000006400000,0500000030f005,010000000000000000009000000000000001000000009800000000000000000000000640c03a00,000080002000814071d414e42958e82fdaaf2eff1f,0,11,22,2,0,6,34,35,-9.98,-1.5659999999999998,0,1.0,0.170461595,+,0.8397,-,0.8397,https://www.genome.jp/dbget-bin/www_bget?dr:D08214
111,D08214, Metronidazole benzoate (USP), Imidazole derivatives,J01XD01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)CCOC(=O)c1ccccc1,276.268,2.3713,71.304,93.78,19,1,4,WTCUQKOETZORQM-UHFFFAOYSA-N,C13H14N3O4,O=C(c1ccccc1)OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C13H14N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)",-5.6805,-4.6084,-4.2385,-2.8971,-1.9363,-1.8249,1.0622,1.0797,1.2761,1.536,2.0612,D08214_J01XD01,00000008000008c0000846000c4200003000000000020c40802000c0000400000400400400000023300a221800000680001020800000401000080002000022001c800c028018824000001900009001000090004008900008e018060000010054000c080000000000004000005000080120060190040330801208000006400000,0500000030f005,010000000000000000009000000000000001000000009800000000000000000000000640c03a00,000080002000814071d414e42958e82fdaaf2eff1f,0,11,22,2,0,6,34,35,-9.98,-1.5659999999999998,0,1.0,0.170461595,+,0.8397,-,0.8397,https://www.genome.jp/dbget-bin/www_bget?dr:D08214
112,D08214, Metronidazole benzoate (USP), Nitroimidazole derivatives,P01AB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)CCOC(=O)c1ccccc1,276.268,2.3713,71.304,93.78,19,1,4,WTCUQKOETZORQM-UHFFFAOYSA-N,C13H14N3O4,O=C(c1ccccc1)OCCn1c(C)ncc1[N](=O)O,"InChI=1S/C13H14N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)",-5.6776,-4.6061,-4.2405,-2.9010000000000002,-1.9419,-1.8299,1.0663,1.0857,1.2454,1.5389,2.0533,D08214_P01AB01,00000008000008c0000846000c4200003000000000020c40802000c0000400000400400400000023300a221800000680001020800000401000080002000022001c800c028018824000001900009001000090004008900008e018060000010054000c080000000000004000005000080120060190040330801208000006400000,0500000030f005,010000000000000000009000000000000001000000009800000000000000000000000640c03a00,000080002000814071d414e42958e82fdaaf2eff1f,0,11,22,2,0,6,34,35,-9.98,-1.5659999999999998,0,1.0,0.170461595,+,0.8397,-,0.8397,https://www.genome.jp/dbget-bin/www_bget?dr:D08214
113,D00282, Clotrimazole (JP17/USP/INN), Antiinfectives and antiseptics for local oral treatment,A01AB18,ALIMENTARY TRACT AND METABOLISM,c1ccccc1C(c1ccccc1)(c1c(cccc1)Cl)n1cncc1,344.837,5.3767,101.84299999999999,17.82,18,0,2,VNFPBHJOKIVQEB-UHFFFAOYSA-N,C22H17ClN2,Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",-1.5158,-1.1382,-0.8938,-0.8906,-0.8739,-0.6025,0.518,0.5186,0.5256,0.5306,0.6551,D00282_A01AB18,0004020000000c440a004600800000048000004000000000000200a000200000100040814000002100810018000c00800000000000004000000000020008000004000c008000000000000000041800020088004008800008c0080800000100000070000100000000000000004000080000060100000100000002800002800000,00000000003001,000000000000000000000000000000000000000000049800000000000000000000000600402000,0000000000000000035454804084800320a1292817,0,23,22,0,0,4,42,45,-9.168,-0.079,0,-1.0,0.908600926,+,0.8766,+,0.8766,https://www.genome.jp/dbget-bin/www_bget?dr:D00282
114,D00282, Clotrimazole (JP17/USP/INN), Imidazole and triazole derivatives,D01AC01,DERMATOLOGICALS,c1ccccc1C(c1ccccc1)(c1c(cccc1)Cl)n1cncc1,344.837,5.3767,101.84299999999999,17.82,18,0,2,VNFPBHJOKIVQEB-UHFFFAOYSA-N,C22H17ClN2,Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",-1.518,-1.1342,-0.8936,-0.8895,-0.8858,-0.6034,0.5183,0.5189,0.5249,0.525,0.6587,D00282_D01AC01,0004020000000c440a004600800000048000004000000000000200a000200000100040814000002100810018000c00800000000000004000000000020008000004000c008000000000000000041800020088004008800008c0080800000100000070000100000000000000004000080000060100000100000002800002800000,00000000003001,000000000000000000000000000000000000000000049800000000000000000000000600402000,0000000000000000035454804084800320a1292817,0,23,22,0,0,4,42,45,-9.168,-0.079,0,-1.0,0.908600926,+,0.8766,+,0.8766,https://www.genome.jp/dbget-bin/www_bget?dr:D00282
115,D00282, Clotrimazole (JP17/USP/INN), Imidazole derivatives,G01AF02,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccccc1C(c1ccccc1)(c1c(cccc1)Cl)n1cncc1,344.837,5.3767,101.84299999999999,17.82,18,0,2,VNFPBHJOKIVQEB-UHFFFAOYSA-N,C22H17ClN2,Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",-1.5172,-1.1371,-0.8935,-0.8832,-0.8687,-0.6053,0.5188,0.5193,0.5193,0.527,0.6526,D00282_G01AF02,0004020000000c440a004600800000048000004000000000000200a000200000100040814000002100810018000c00800000000000004000000000020008000004000c008000000000000000041800020088004008800008c0080800000100000070000100000000000000004000080000060100000100000002800002800000,00000000003001,000000000000000000000000000000000000000000049800000000000000000000000600402000,0000000000000000035454804084800320a1292817,0,23,22,0,0,4,42,45,-9.168,-0.079,0,-1.0,0.908600926,+,0.8766,+,0.8766,https://www.genome.jp/dbget-bin/www_bget?dr:D00282
116,D07689, Chlortetracycline (INN), Antiinfectives and antiseptics for local oral treatment,A01AB21,ALIMENTARY TRACT AND METABOLISM,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.0015,-5.7686,-5.2563,-4.6316,-4.6274,-4.2093,2.0854,2.2143,2.2532,2.4699,2.7795,D07689_A01AB21,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.669,-4.409,5,-2.0,0.009577859000000001,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D07689
117,D07689, Chlortetracycline (INN), Tetracycline and derivatives,D06AA02,DERMATOLOGICALS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-5.9981,-5.7671,-5.251,-4.6351,-4.6259,-4.21,2.0863,2.2192,2.256,2.4644,2.7838,D07689_D06AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.669,-4.409,5,-2.0,0.009577859000000001,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D07689
118,D07689, Chlortetracycline (INN), Tetracyclines,J01AA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-5.9995,-5.7734,-5.2514,-4.6355,-4.6231,-4.2098,2.0849,2.2176,2.2618,2.467,2.7821,D07689_J01AA03,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.669,-4.409,5,-2.0,0.009577859000000001,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D07689
119,D07689, Chlortetracycline (INN), Antibiotics,S01AA02,SENSORY ORGANS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-5.9999,-5.7516,-5.2496,-4.6348,-4.6175,-4.2095,2.089,2.2225,2.2482,2.4791,2.7702,D07689_S01AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.669,-4.409,5,-2.0,0.009577859000000001,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D07689
120,D02255, Chlortetracycline hydrochloride (JAN/US, Antiinfectives and antiseptics for local oral treatment,A01AB21,ALIMENTARY TRACT AND METABOLISM,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.0011,-5.778,-5.2585,-4.6336,-4.6275,-4.2076,2.0878,2.2115,2.2744,2.4514,2.7842,D02255_A01AB21,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.668,-4.4110000000000005,5,,0.009550731,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D02255
121,D02255, Chlortetracycline hydrochloride (JAN/US, Tetracycline and derivatives,D06AA02,DERMATOLOGICALS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.0012,-5.7775,-5.2587,-4.6341,-4.6288,-4.2082,2.088,2.2115,2.2865,2.4504,2.786,D02255_D06AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.668,-4.4110000000000005,5,,0.009550731,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D02255
122,D02255, Chlortetracycline hydrochloride (JAN/US, Tetracyclines,J01AA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.002000000000001,-5.7683,-5.2589999999999995,-4.629,-4.6267,-4.2077,2.0839,2.2121,2.2388,2.455,2.7766,D02255_J01AA03,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.668,-4.4110000000000005,5,,0.009550731,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D02255
123,D02255, Chlortetracycline hydrochloride (JAN/US, Antibiotics,S01AA02,SENSORY ORGANS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-5.9994,-5.7715,-5.2583,-4.6341,-4.6312,-4.2082,2.088,2.2125,2.2835,2.4488,2.7891,D02255_S01AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.668,-4.4110000000000005,5,,0.009550731,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D02255
124,D03477, Chlortetracycline bisulfate (USP), Antiinfectives and antiseptics for local oral treatment,A01AB21,ALIMENTARY TRACT AND METABOLISM,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.0001,-5.7721,-5.2247,-4.6325,-4.6274,-4.2119,2.0862,2.2176,2.2555,2.4708,2.7788,D03477_A01AB21,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.664000000000001,-4.412,5,0.0,0.009569983,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D03477
125,D03477, Chlortetracycline bisulfate (USP), Tetracycline and derivatives,D06AA02,DERMATOLOGICALS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.01,-5.7633,-5.2184,-4.6309,-4.6024,-4.2121,2.0696,2.2195,2.2486,2.4854,2.7148,D03477_D06AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.664000000000001,-4.412,5,0.0,0.009569983,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D03477
126,D03477, Chlortetracycline bisulfate (USP), Tetracyclines,J01AA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-5.9993,-5.7713,-5.2586,-4.6341,-4.6312,-4.2079,2.088,2.2124,2.2895,2.4487,2.7904,D03477_J01AA03,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.664000000000001,-4.412,5,0.0,0.009569983,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D03477
127,D03477, Chlortetracycline bisulfate (USP), Antibiotics,S01AA02,SENSORY ORGANS,c1cc(c2c(c1Cl)[C@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)(O)C)O,479.88800000000003,-0.2778,116.486,182.82,33,7,9,CYDMQBQPVICBEU-XRNKAMNCSA-O,C22H24ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/p+1/t7-,8-,15-,21-,22-/m0/s1",-6.0026,-5.7833,-5.2589999999999995,-4.6329,-4.6234,-4.2083,2.0877,2.2105,2.2502,2.4519,2.7772,D03477_S01AA02,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500004d02f001,07484002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1942b4fcfbfa1f,0,6,49,5,0,2,57,60,-11.664000000000001,-4.412,5,0.0,0.009569983,+,3.6206,-,3.6206,https://www.genome.jp/dbget-bin/www_bget?dr:D03477
128,D07876, Doxycycline (INN), Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.996,-5.7081,-5.2377,-4.607,-4.5937,-4.2069,2.2069,2.2841,2.3204,2.4827,2.9149,D07876_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.494000000000002,-4.675,6,2.0,0.00220162,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D07876
129,D07876, Doxycycline (INN), Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9945,-5.715,-5.2384,-4.6108,-4.5905,-4.2079,2.2074,2.2693,2.3035,2.4943,2.9157,D07876_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.494000000000002,-4.675,6,2.0,0.00220162,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D07876
130,D00307, Doxycycline (USP), Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9985,-5.7157,-5.2481,-4.6095,-4.5946,-4.2078,2.2086,2.2715,2.303,2.505,2.9165,D00307_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.520999999999999,-4.516,6,,0.002377419,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D00307
131,D00307, Doxycycline (USP), Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-6.0011,-5.7125,-5.2386,-4.6077,-4.5919,-4.2071,2.2105,2.2854,2.3064,2.4811,2.9156,D00307_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.520999999999999,-4.516,6,,0.002377419,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D00307
132,D02129, Doxycycline hyclate (USP), Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9984,-5.7105,-5.2401,-4.6065,-4.5944,-4.2087,2.2085,2.2788,2.3052,2.4977,2.9186,D02129_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.470999999999998,-4.672,6,,0.002198539,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D02129
133,D02129, Doxycycline hyclate (USP), Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9938,-5.7123,-5.2378,-4.6081,-4.5958,-4.2074,2.2071,2.274,2.3074,2.4862,2.9142,D02129_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.470999999999998,-4.672,6,,0.002198539,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D02129
134,D03903, Doxycycline calcium (USP), Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,c1cc(c2c(c1)[C@@H]([C@@H]1C(=C([C@]3([C@@H]([C@H]1O)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)C)O,445.44300000000004,-1.0644,111.59299999999999,182.82,30,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-6.0199,-5.7182,-5.2569,-4.6346,-4.586,-4.2078,2.2086,2.2441,2.4348,2.4914,2.9126,D03903_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,3.805,7.004,6,0.0,0.008592835,+,2.7423,-,2.7423,https://www.genome.jp/dbget-bin/www_bget?dr:D03903
135,D03903, Doxycycline calcium (USP), Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)[C@@H]([C@@H]1C(=C([C@]3([C@@H]([C@H]1O)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)C)O,445.44300000000004,-1.0644,111.59299999999999,182.82,30,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-6.002000000000001,-5.7905,-5.2332,-4.6398,-4.6332,-4.2088,2.2084,2.2464,2.3861,2.7563,2.907,D03903_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,3.805,7.004,6,0.0,0.008592835,+,2.7423,-,2.7423,https://www.genome.jp/dbget-bin/www_bget?dr:D03903
136,D03904, Doxycycline fosfatex (USAN), Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9944,-5.7195,-5.2508,-4.6054,-4.5957,-4.2073,2.2055,2.2834,2.3009,2.503,2.9147,D03904_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.507,-4.7,6,,0.002054881,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D03904
137,D03904, Doxycycline fosfatex (USAN), Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9963,-5.7116,-5.237,-4.6067,-4.5984,-4.2073,2.2102,2.2745,2.2943,2.4886,2.9158,D03904_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.507,-4.7,6,,0.002054881,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D03904
138,D07877, Doxycycline hydrochloride, Antiinfectives and antiseptics for local oral treatment,A01AB22,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.9972,-5.7162,-5.2475,-4.6066,-4.5966,-4.2079,2.2095,2.2779,2.2908,2.5069,2.9158,D07877_A01AB22,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.497,-4.675,6,1.0,0.002201462,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D07877
139,D07877, Doxycycline hydrochloride, Tetracyclines,J01AA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)[C@H](c2c(C3=O)c(ccc2)O)C)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,445.44300000000004,-1.0644,111.59299999999999,182.82,34,7,9,JBIWCJUYHHGXTC-AKNGSSGZSA-O,C22H25N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/p+1/t7-,10+,14+,15-,17-,22-/m0/s1",-5.997999999999999,-5.715,-5.247000000000001,-4.6075,-4.5969,-4.2078,2.2089,2.2747,2.305,2.5027,2.9162,D07877_J01AA02,000ec100000002b402400600024000048000009000424000014400880010200014005400c0c00007d007021800014000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110000203808240800039000a063100021b9022088800c330000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,49,5,0,2,57,60,-11.497,-4.675,6,1.0,0.002201462,+,2.8166,-,2.8166,https://www.genome.jp/dbget-bin/www_bget?dr:D07877
140,D05045, Minocycline (USAN/INN), Antiinfectives and antiseptics for local oral treatment,A01AB23,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H](C2)Cc2c(C3=O)c(ccc2N(C)C)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,458.48400000000004,-0.5302,119.831,165.83,37,6,9,DYKFCLLONBREIL-KVUCHLLUSA-O,C23H28N3O7+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/p+1/t9-,11-,17-,23-/m0/s1",-6.0001,-5.7682,-5.2571,-4.6063,-4.591,-4.2085,1.9932,2.2008,2.2628,2.5093,2.9181,D05045_A01AB23,000ec120800002b40240060002c04024801000900042440001440088001024001400540080c00027d007021800014044012a03001820e5082001100200c6042008210810640402000008a1032a81029c40d041400402b008da88d80040094491030e0008c100000303808240800039000a063100121b9022088800c332000700,1500004d02f021,06484002050001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a91142d4fcfbfa1f,0,6,53,5,0,3,61,64,-10.663,-5.0760000000000005,4,1.0,0.00231164,+,3.6135,-,3.6135,https://www.genome.jp/dbget-bin/www_bget?dr:D05045
141,D05045, Minocycline (USAN/INN), Tetracyclines,J01AA08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H](C2)Cc2c(C3=O)c(ccc2N(C)C)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,458.48400000000004,-0.5302,119.831,165.83,37,6,9,DYKFCLLONBREIL-KVUCHLLUSA-O,C23H28N3O7+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/p+1/t9-,11-,17-,23-/m0/s1",-6.0032,-5.7736,-5.2407,-4.609,-4.5876,-4.2103,1.9951,2.2011,2.276,2.505,2.9195,D05045_J01AA08,000ec120800002b40240060002c04024801000900042440001440088001024001400540080c00027d007021800014044012a03001820e5082001100200c6042008210810640402000008a1032a81029c40d041400402b008da88d80040094491030e0008c100000303808240800039000a063100121b9022088800c332000700,1500004d02f021,06484002050001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a91142d4fcfbfa1f,0,6,53,5,0,3,61,64,-10.663,-5.0760000000000005,4,1.0,0.00231164,+,3.6135,-,3.6135,https://www.genome.jp/dbget-bin/www_bget?dr:D05045
142,D00850, Minocycline hydrochloride (JP17/USP), Antiinfectives and antiseptics for local oral treatment,A01AB23,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@](C(=C3[C@H](C2)Cc2c(C3=O)c(ccc2N(C)C)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,458.48400000000004,-0.5302,119.831,165.83,37,6,9,DYKFCLLONBREIL-KVUCHLLUSA-O,C23H28N3O7+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/p+1/t9-,11-,17-,23-/m0/s1",-6.0292,-5.7976,-5.2252,-4.6014,-4.5691,-4.2044,1.9801,2.217,2.2235,2.4216,2.9099,D00850_A01AB23,000ec120800002b40240060002c04024801000900042440001440088001024001400540080c00027d007021800014044012a03001820e5082001100200c6042008210810640402000008a1032a81029c40d041400402b008da88d80040094491030e0008c100000303808240800039000a063100121b9022088800c332000700,1500004d02f021,06484002050001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a91142d4fcfbfa1f,0,6,53,5,0,3,61,64,-10.662,-5.0760000000000005,4,-1.0,0.00231273,+,3.6135,-,3.6135,https://www.genome.jp/dbget-bin/www_bget?dr:D00850
143,D00850, Minocycline hydrochloride (JP17/USP), Tetracyclines,J01AA08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H](C2)Cc2c(C3=O)c(ccc2N(C)C)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,458.48400000000004,-0.5302,119.831,165.83,37,6,9,DYKFCLLONBREIL-KVUCHLLUSA-O,C23H28N3O7+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/p+1/t9-,11-,17-,23-/m0/s1",-6.0164,-5.7843,-5.2266,-4.6065,-4.5781,-4.2049,1.9875,2.213,2.2502,2.4033,2.9105,D00850_J01AA08,000ec120800002b40240060002c04024801000900042440001440088001024001400540080c00027d007021800014044012a03001820e5082001100200c6042008210810640402000008a1032a81029c40d041400402b008da88d80040094491030e0008c100000303808240800039000a063100121b9022088800c332000700,1500004d02f021,06484002050001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385f15a91142d4fcfbfa1f,0,6,53,5,0,3,61,64,-10.662,-5.0760000000000005,4,-1.0,0.00231273,+,3.6135,-,3.6135,https://www.genome.jp/dbget-bin/www_bget?dr:D00850
144,D00385, Triamcinolone (JP17/USP/INN), Corticosteroids for local oral treatment,A01AC01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6328,-2.9632,-2.3527,-2.2888,-2.2081,-1.9133,1.4272,1.4463,1.4688,2.0023,2.1666,D00385_A01AC01,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
145,D00385, Triamcinolone (JP17/USP/INN), Corticosteroids,C05AA12,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6329,-2.9812,-2.3544,-2.3235,-2.1116,-1.9136,1.5796,1.6478,1.6561,1.7851,2.0345,D00385_C05AA12,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
146,D00385, Triamcinolone (JP17/USP/INN)," Corticosteroids, moderately potent (group II)",D07AB09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6204,-2.9721,-2.3585,-2.3117,-1.9186,-1.9115,1.446,1.4495,1.6376,1.7768,1.9119,D00385_D07AB09,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
147,D00385, Triamcinolone (JP17/USP/INN)," Corticosteroids, moderately potent, other combinations",D07XB02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6229,-2.9768,-2.3569,-2.325,-1.9192,-1.9132,1.5597,1.5707,1.6288,1.7588,2.1089,D00385_D07XB02,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
148,D00385, Triamcinolone (JP17/USP/INN), Glucocorticoids,H02AB08,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6328,-2.9796,-2.3492,-2.325,-2.0667,-1.9147,1.4825,1.5434,1.5766,1.6647,2.0778,D00385_H02AB08,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
149,D00385, Triamcinolone (JP17/USP/INN), Corticosteroids,R01AD11,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6357,-2.9643,-2.3705,-2.2864,-1.9240000000000002,-1.9138,1.4417,1.5802,1.6177,2.1368,2.1738,D00385_R01AD11,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
150,D00385, Triamcinolone (JP17/USP/INN), Glucocorticoids,R03BA06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6285,-2.9727,-2.3538,-2.3297,-2.0163,-1.9229,1.5566,1.5604,1.6352,1.8461,1.969,D00385_R03BA06,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
151,D00385, Triamcinolone (JP17/USP/INN)," Corticosteroids, plain",S01BA05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C)O)F)C,394.434,0.6205,98.3112,115.06,33,4,6,GFNANZIMVAIWHM-OBYCQNJPSA-N,C21H27FO6,OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",-3.6182,-2.9644,-2.3647,-2.2907,-1.9258,-1.9138,1.4289,1.4322,1.4422,1.751,2.1053,D00385_S01BA05,0002000000000224000000030000000000000090204040000200000000002000100852000080000580020000010000000120020000204103000000000000000008000800000400000000800228800214005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000001010000000000000000000001000000000000000000000000000000004040437804,000000020002320082084287949d2cc0ad4cb7d71c,1,0,54,4,0,2,55,58,-10.318,-0.534,8,-1.0,0.067373812,-,2.3396,-,2.3396,https://www.genome.jp/dbget-bin/www_bget?dr:D00385
152,D00983, Triamcinolone acetonide (JP17/USP), Corticosteroids for local oral treatment,A01AC01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6445,-3.1715,-3.1604,-2.9726,-2.363,-1.9274,1.2743,1.4158,1.4425,1.594,1.7590000000000001,D00983_A01AC01,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
153,D00983, Triamcinolone acetonide (JP17/USP), Corticosteroids,C05AA12,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6535,-3.1694,-3.1573,-2.9714,-2.3586,-1.9267,1.3412,1.4118,1.4297,1.6583,1.7546,D00983_C05AA12,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
154,D00983, Triamcinolone acetonide (JP17/USP)," Corticosteroids, moderately potent (group II)",D07AB09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6345,-3.1597,-3.1591,-2.9724,-2.3576,-1.9242,1.3072,1.4284,1.4482,1.5348,1.764,D00983_D07AB09,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
155,D00983, Triamcinolone acetonide (JP17/USP)," Corticosteroids, moderately potent, other combinations",D07XB02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6331,-3.1601,-3.1597,-2.9726,-2.3583,-1.9242,1.3083,1.4282,1.4481,1.5464,1.7464,D00983_D07XB02,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
156,D00983, Triamcinolone acetonide (JP17/USP), Glucocorticoids,H02AB08,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6352,-3.1689999999999996,-3.1623,-2.9704,-2.3593,-1.9252,1.2477,1.4214,1.4456,1.5992,1.7589,D00983_H02AB08,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
157,D00983, Triamcinolone acetonide (JP17/USP), Corticosteroids,R01AD11,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6188,-3.0769,-3.0744,-2.9652,-2.3441,-1.9165,1.3607,1.4125,1.4422,1.6679,1.9035,D00983_R01AD11,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
158,D00983, Triamcinolone acetonide (JP17/USP), Glucocorticoids,R03BA06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6688,-3.0996,-3.0604,-2.977,-2.3471,-1.9162,1.3568,1.4115,1.4343,1.4417,1.9039,D00983_R03BA06,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
159,D00983, Triamcinolone acetonide (JP17/USP)," Corticosteroids, plain",S01BA05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.4188,110.50299999999999,93.06,37,2,6,YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6105,-3.0801,-3.0775,-2.9683,-2.3491,-1.9165,1.3588,1.4039,1.4299,1.5865,1.9038,D00983_S01BA05,000200000000a2240000000300020000200000b4204040000200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949dacc4ad5db7d71c,1,0,62,4,0,2,62,66,-10.270999999999999,-0.488,8,1.0,0.288609862,-,3.3819999999999997,-,3.3819999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00983
160,D00984, Triamcinolone diacetate (JAN/USP), Corticosteroids for local oral treatment,A01AC01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4506,-4.3979,-3.6298,-3.0005,-2.9831,-2.9783,1.4505,1.4517,1.5365,1.5395,1.5793,D00984_A01AC01,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
161,D00984, Triamcinolone diacetate (JAN/USP), Corticosteroids,C05AA12,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4577,-4.423,-3.6298,-2.9930000000000003,-2.9882,-2.9756,1.4337,1.5363,1.5417,1.5927,1.6195,D00984_C05AA12,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
162,D00984, Triamcinolone diacetate (JAN/USP)," Corticosteroids, moderately potent (group II)",D07AB09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4116,-4.3741,-3.6292,-3.0156,-2.9956,-2.9752,1.4217,1.4384,1.5090000000000001,1.5335,1.5385,D00984_D07AB09,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
163,D00984, Triamcinolone diacetate (JAN/USP)," Corticosteroids, moderately potent, other combinations",D07XB02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4779,-4.4043,-3.6292,-2.9885,-2.9842,-2.9827,1.3934,1.4316,1.5325,1.5439,1.5672,D00984_D07XB02,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
164,D00984, Triamcinolone diacetate (JAN/USP), Glucocorticoids,H02AB08,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4555,-4.4302,-3.6275,-3.0001,-2.975,-2.9578,1.4013,1.4289,1.5273,1.5431,1.5459,D00984_H02AB08,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
165,D00984, Triamcinolone diacetate (JAN/USP), Corticosteroids,R01AD11,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4212,-4.3624,-3.6288,-3.0463,-2.9956,-2.9815,1.405,1.4401,1.5409,1.5447,1.5688,D00984_R01AD11,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
166,D00984, Triamcinolone diacetate (JAN/USP), Glucocorticoids,R03BA06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4216,-4.4078,-3.6327,-3.02,-2.9796,-2.9735,1.4671,1.5411,1.5487,1.6793,1.7976,D00984_R03BA06,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
167,D00984, Triamcinolone diacetate (JAN/USP)," Corticosteroids, plain",S01BA05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)OC(=O)C)C)O)F)C,478.50699999999995,1.7621,117.786,127.2,39,2,8,XGMPVBXKDAHORN-RBWIMXSLSA-N,C25H31FO8,CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O,"InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1",-4.4752,-4.4452,-3.6368,-2.9878,-2.9854,-2.9797,1.4356,1.5394,1.5419,1.5687,1.6030000000000002,D00984_S01BA05,00020002000002240a000003000200002000009020c0400002000000000420001408520800800005800a000021000000012002000020411300000080000082000810080000040000000080022880021400d0004000000000000010010000000102040002800000000000200040142c0000130900000510000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,62,6,0,6,65,68,-10.349,-0.625,8,2.0,0.18079446300000002,-,3.6403,-,3.6403,https://www.genome.jp/dbget-bin/www_bget?dr:D00984
168,D00985, Triamcinolone hexacetonide (USP/INN), Corticosteroids for local oral treatment,A01AC01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.405,-3.6497,-3.1794,-3.1418,-3.0034,-2.9736,1.3389,1.3696,1.41,1.4297,1.5424,D00985_A01AC01,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
169,D00985, Triamcinolone hexacetonide (USP/INN), Corticosteroids,C05AA12,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.4617,-3.6276,-3.1707,-3.1428,-2.9953,-2.9789999999999996,1.3596,1.4254,1.4342,1.5108,1.5486,D00985_C05AA12,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
170,D00985, Triamcinolone hexacetonide (USP/INN)," Corticosteroids, moderately potent (group II)",D07AB09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.4478,-3.6304,-3.1036,-3.0671,-2.9785,-2.9760000000000004,1.4332,1.4676,1.483,1.5290000000000001,1.5399,D00985_D07AB09,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
171,D00985, Triamcinolone hexacetonide (USP/INN)," Corticosteroids, moderately potent, other combinations",D07XB02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.4565,-3.6287,-3.1693,-3.1376,-2.9930000000000003,-2.9831,1.3665,1.4091,1.4418,1.538,1.5478,D00985_D07XB02,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
172,D00985, Triamcinolone hexacetonide (USP/INN), Glucocorticoids,H02AB08,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.4227,-3.6304,-3.1544,-3.1313,-2.9896,-2.9784,1.3674,1.3683,1.4251,1.4457,1.5382,D00985_H02AB08,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
173,D00985, Triamcinolone hexacetonide (USP/INN), Corticosteroids,R01AD11,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.3996,-3.6277,-3.1676,-3.1441,-3.0015,-2.9757,1.3230000000000002,1.3731,1.4292,1.4381,1.5411,D00985_R01AD11,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
174,D00985, Triamcinolone hexacetonide (USP/INN), Glucocorticoids,R03BA06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.494,-3.6327,-3.0968,-3.0504,-2.9793,-2.9789999999999996,1.3736,1.4113,1.4251,1.4457,1.5495,D00985_R03BA06,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
175,D00985, Triamcinolone hexacetonide (USP/INN)," Corticosteroids, plain",S01BA05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)CC(C)(C)C)OC(O1)(C)C)C)O)F)C,532.641,4.4059,139.208,99.13,48,1,7,TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",-4.3957,-3.6307,-3.1054,-3.0829,-2.9843,-2.9798,1.4013,1.409,1.4346,1.4865,1.5263,D00985_S01BA05,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949dace4a95db7d71c,1,0,78,5,0,6,79,83,-10.244000000000002,-0.517,8,,0.706345737,-,5.4206,-,5.4206,https://www.genome.jp/dbget-bin/www_bget?dr:D00985
176,D06216, Triamcinolone acetonide sodium phosphat, Corticosteroids for local oral treatment,A01AC01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.5399,-10.5385,-10.2569,-7.5022,-3.6174,-3.1713,2.9034,3.0109,3.0219,3.4610000000000003,5.0575,D06216_A01AC01,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
177,D06216, Triamcinolone acetonide sodium phosphat, Corticosteroids,C05AA12,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.5475,-10.5287,-10.2414,-7.5227,-3.6,-3.1710000000000003,2.8857,3.0204,3.0432,3.4495,5.0416,D06216_C05AA12,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
178,D06216, Triamcinolone acetonide sodium phosphat," Corticosteroids, moderately potent (group II)",D07AB09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.583,-10.5213,-10.249,-7.5120000000000005,-3.9299,-3.594,2.9925,3.0059,3.0376,3.4984,5.03,D06216_D07AB09,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
179,D06216, Triamcinolone acetonide sodium phosphat," Corticosteroids, moderately potent, other combinations",D07XB02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.5665,-10.5295,-10.245999999999999,-7.5112,-3.7787,-3.6555,3.0031,3.0544,3.0660000000000003,3.4816,5.058,D06216_D07XB02,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
180,D06216, Triamcinolone acetonide sodium phosphat, Glucocorticoids,H02AB08,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.534,-10.5156,-10.2585,-7.5278,-3.6093,-3.1693,2.8680000000000003,2.9952,3.0272,3.4828,5.0826,D06216_H02AB08,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
181,D06216, Triamcinolone acetonide sodium phosphat, Corticosteroids,R01AD11,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.5497,-10.5252,-10.2587,-7.5282,-3.6099,-3.1748,2.8836,2.9748,3.0331,3.4964,5.0821,D06216_R01AD11,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
182,D06216, Triamcinolone acetonide sodium phosphat, Glucocorticoids,R03BA06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.532,-10.5198,-10.2471,-7.5059,-4.2069,-3.6246,3.0011,3.0491,3.1288,3.4538,5.1048,D06216_R03BA06,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
183,D06216, Triamcinolone acetonide sodium phosphat," Corticosteroids, plain",S01BA05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COP(=O)(O)O)OC(O1)(C)C)C)O)F)C,514.4780000000001,2.5358,121.413,149.4,39,3,9,NXLTXRVPGUCAHF-JNQJZLCISA-N,C24H32FO9P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC1C2(OC(O1)(C)C)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-10.5474,-10.5382,-10.2705,-7.4871,-3.8333,-3.6042,3.0178,3.0353,3.0927,3.4616,5.0924,D06216_S01BA05,008200000000e2251402000300020000200001b42040400202000000000420001408520800800005800a0004210000000330020000a0411300000080200082000812280000040000200082822880821400d000400000000020001001000020010224000a804800000400200044143c00001b0900000510000000408102000100,1400042c30a001,1f2900000000814000000000000000000001000000000000000000000010200000004440437804,0000001200860201920a4487b49facecaf5dbfd71c,1,0,66,5,0,4,67,71,-0.165,2.911,8,1.0,3.1558499999999995e-10,-,4.0612,-,4.0612,https://www.genome.jp/dbget-bin/www_bget?dr:D06216
184,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6193,-2.9672,-2.3692,-2.3005,-1.912,-1.8295,1.3565,1.4145,1.4249,1.4453,1.7564,D00292_A01AC02,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
185,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.605,-2.9623,-2.3525,-2.2997,-1.9125,-1.8386,1.3693,1.4093,1.4289,1.4515,1.9611,D00292_C05AA09,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
186,D00292, Dexamethasone (JP17/USP/INN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6097,-2.9662,-2.3596,-2.316,-1.9252,-1.8845,1.1929,1.4146,1.4408,1.4584,1.7452,D00292_D07AB19,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
187,D00292, Dexamethasone (JP17/USP/INN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6354,-2.9677,-2.3498,-2.3253,-1.9161,-1.8662,1.4228,1.4291,1.4452,1.5808,2.0513,D00292_D07XB05,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
188,D00292, Dexamethasone (JP17/USP/INN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6421,-2.9702,-2.3635,-2.3252,-1.9129,-1.84,1.4163,1.4405,1.4471,1.5701,1.7201,D00292_D10AA03,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
189,D00292, Dexamethasone (JP17/USP/INN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6308,-2.9657,-2.3595,-2.3166,-1.9145,-1.8547,1.4226,1.4483,1.5805,1.5912,1.7730000000000001,D00292_H02AB02,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
190,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6215,-2.9644,-2.3663,-2.3045,-1.9136,-1.8443,1.3661,1.4167,1.4247,1.4436,1.7604,D00292_R01AD03,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
191,D00292, Dexamethasone (JP17/USP/INN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6188,-2.9619,-2.3552,-2.2941,-1.912,-1.8413,1.3687,1.4273,1.439,1.4536,1.9035,D00292_S01BA01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
192,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6392,-2.9639,-2.3589,-2.3085,-1.9136,-1.8491,1.3537,1.4048,1.4271,1.4473,1.874,D00292_S01CB01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
193,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6229,-2.9678,-2.3632,-2.3204,-1.9138,-1.8667,1.4189,1.4444,1.4480000000000002,1.5762,1.7416,D00292_S02BA06,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
194,D00292, Dexamethasone (JP17/USP/INN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-CXSFZGCWSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6417,-2.965,-2.3594,-2.3166,-1.9109,-1.8571,1.4181,1.4421,1.5812,1.5842,1.7567,D00292_S03BA01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.499,8,,0.174576536,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00292
195,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5557,-10.5445,-10.2453,-7.5453,-3.6469,-2.9594,2.8546,3.0401,3.0419,3.4376,5.1018,D00975_A01AC02,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
196,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5808,-10.5376,-10.2397,-7.4997,-4.0822,-3.6645,2.9675,3.0321,3.0412,3.478,5.0116,D00975_C05AA09,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
197,D00975, Dexamethasone sodium phosphate (JAN/USP," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5417,-10.5393,-10.2547,-7.5187,-3.6087,-2.969,2.8907,3.028,3.0319,3.4423,5.0798,D00975_D07AB19,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
198,D00975, Dexamethasone sodium phosphate (JAN/USP," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5645,-10.5437,-10.2635,-7.531000000000001,-3.6772,-3.6136,2.89,3.0125,3.0309,3.4522,5.0671,D00975_D07XB05,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
199,D00975, Dexamethasone sodium phosphate (JAN/USP," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5445,-10.5371,-10.2526,-7.513999999999999,-3.6188,-3.4684,2.8894,3.0203,3.0366,3.4461,5.0828,D00975_D10AA03,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
200,D00975, Dexamethasone sodium phosphate (JAN/USP, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5421,-10.5272,-10.257,-7.5043,-4.0423,-3.6663,3.0127,3.0256,3.0635,3.4986,5.111000000000001,D00975_H02AB02,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
201,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5547,-10.5364,-10.2567,-7.5133,-3.6528,-3.5645,2.9712,3.0307,3.0321,3.4788,5.0931,D00975_R01AD03,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
202,D00975, Dexamethasone sodium phosphate (JAN/USP," Corticosteroids, plain",S01BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5652,-10.5256,-10.2467,-7.5262,-3.6164,-3.6082,3.0282,3.0452,3.0576,3.4877,5.0798,D00975_S01BA01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
203,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5427,-10.5424,-10.2521,-7.5241,-3.6243,-3.4555,2.8894,3.0291,3.032,3.4419,5.0817,D00975_S01CB01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
204,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids,S02BA06,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5664,-10.5377,-10.2714,-7.5021,-3.6515,-3.5878,2.9935,3.0188,3.054,3.5248,5.0139,D00975_S02BA06,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
205,D00975, Dexamethasone sodium phosphate (JAN/USP, Corticosteroids,S03BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5661,-10.5458,-10.2697,-7.5456,-3.6919,-3.6143,2.8856,3.0093,3.0185,3.4418,5.0607,D00975_S03BA01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.095,2.207,8,,3.18218e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00975
206,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.6946,-9.6431,-9.1101,-4.2661,-3.6343,-2.9793,1.5921,2.4077,2.5835,2.6028,2.6348,D01510_A01AC02,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
207,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7543,-9.6678,-9.0846,-4.2725,-3.6349,-2.9813,2.1446,2.4125,2.6056,2.6058,2.6174,D01510_C05AA09,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
208,D01510, Dexamethasone metasulfobenzoate sodium," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7089,-9.6237,-9.1099,-4.2577,-3.6285,-2.9789,2.0606,2.4083,2.5951,2.5953,2.6199,D01510_D07AB19,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
209,D01510, Dexamethasone metasulfobenzoate sodium," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7206,-9.6397,-9.1043,-4.2686,-3.6332,-2.9797,2.1586,2.4066,2.6012,2.6069999999999998,2.6211,D01510_D07XB05,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
210,D01510, Dexamethasone metasulfobenzoate sodium," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.6827,-9.6471,-9.1064,-4.2637,-3.633,-2.9788,1.5803,2.4072,2.5928,2.5945,2.6317,D01510_D10AA03,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
211,D01510, Dexamethasone metasulfobenzoate sodium, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.6431,-9.5871,-9.1152,-4.26,-3.6325,-2.971,2.0177,2.3994,2.5702,2.5987,2.6138,D01510_H02AB02,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
212,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.6851,-9.6481,-9.1112,-4.2685,-3.6291,-2.9781,1.5742,2.4099,2.6042,2.6083,2.6116,D01510_R01AD03,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
213,D01510, Dexamethasone metasulfobenzoate sodium," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7351,-9.6794,-9.1195,-4.2698,-3.6346,-2.9776,1.8218,2.4186,2.6006,2.6169,2.6187,D01510_S01BA01,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
214,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7653,-9.6187,-9.1144,-4.2783,-3.6332,-2.9732,1.8456,2.4099,2.5883,2.6131,2.6412,D01510_S01CB01,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
215,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7219,-9.6351,-9.1036,-4.2453,-3.6291,-2.9692,2.044,2.4062,2.5961,2.6182,2.6531,D01510_S02BA06,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
216,D01510, Dexamethasone metasulfobenzoate sodium, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)C)C)O)F)C,576.63,4.0879,141.454,163.65,41,3,9,TWQWRHIQRAZHPR-XNXCGYEVSA-N,C29H33FO9S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C)C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",-9.7165,-9.6032,-9.113999999999999,-4.2631,-3.6289,-2.9730000000000003,2.0704,2.4096,2.5977,2.5978,2.6239,D01510_S03BA01,20020142000002e60a00020300020000000000d02040480002200080000420001c08520800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100721528000013d900088110000208c08102000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000022000000000000004240437804,00000002c082469e9609c187b49f2cecaf5cbfd71e,1,6,64,7,0,6,73,77,-7.21,0.451,8,-2.0,0.012832554,+,3.7723,-,3.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D01510
217,D01615, Dexamethasone palmitate (JAN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.2887,-3.623,-2.9733,-2.9726,-2.3356,-1.9171,1.3643,1.3772,1.3991,1.4298,1.5055,D01615_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
218,D01615, Dexamethasone palmitate (JAN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.5017,-3.6371,-2.9734,-2.9726,-2.3519,-1.9174,1.3880000000000001,1.3944,1.4325,1.5456,1.5486,D01615_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
219,D01615, Dexamethasone palmitate (JAN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.4546,-3.5980000000000003,-2.9826,-2.9655,-2.5893,-2.3751,1.4263,1.4794,1.5429,1.5507,1.6456,D01615_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
220,D01615, Dexamethasone palmitate (JAN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.4851,-3.6460000000000004,-2.9753,-2.9538,-2.3489,-1.9192,1.3795,1.3969,1.4337,1.5164,1.5330000000000001,D01615_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
221,D01615, Dexamethasone palmitate (JAN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.319,-3.6303,-3.01,-2.9758,-2.3441,-1.9191,1.273,1.3554,1.3855,1.4272,1.5317,D01615_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
222,D01615, Dexamethasone palmitate (JAN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.3359,-3.6321,-3.0166,-2.9682,-2.3535,-1.9241,1.2574,1.3877,1.3922,1.4381,1.5324,D01615_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
223,D01615, Dexamethasone palmitate (JAN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.4256,-3.6299,-2.9933,-2.9778,-2.3531,-1.9192,1.3722,1.3995,1.4459,1.4963,1.5346,D01615_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
224,D01615, Dexamethasone palmitate (JAN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.3768,-3.6319999999999997,-3.0515,-2.968,-2.3323,-1.9209,1.3665,1.3834,1.3913,1.4311,1.5494,D01615_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
225,D01615, Dexamethasone palmitate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.4677,-3.6310000000000002,-2.9771,-2.9771,-2.3497,-1.9369,1.3947,1.4351,1.4355,1.5376,1.5493,D01615_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
226,D01615, Dexamethasone palmitate (JAN), Corticosteroids,S02BA06,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.3827,-3.6314,-3.0123,-2.9638,-2.3273,-1.9205,1.3613,1.3735,1.4204,1.525,1.5419999999999998,D01615_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
227,D01615, Dexamethasone palmitate (JAN), Corticosteroids,S03BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)COC(=O)CCCCCCCCCCCCCCC)O)C)CCC2=CC(=O)C=C[C@]12C)F,630.87,7.9279,178.99200000000002,100.9,65,2,6,WDPYZTKOEFDTCU-WDJQFAPHSA-N,C38H59FO6,CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1",-4.4221,-3.6304,-2.9957,-2.9621,-2.3291,-1.9155,1.3914,1.3933,1.4088,1.4286,1.5328,D01615_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,102,5,0,18,104,107,-10.16,-0.391,8,0.0,0.991087556,-,5.6435,-,5.6435,https://www.genome.jp/dbget-bin/www_bget?dr:D01615
228,D01632, Dexamethasone dipropionate (USAN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4294,-4.3992,-3.6285,-3.0714,-2.9795,-2.9622,1.3544,1.3769,1.3888,1.4124,1.5393,D01632_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
229,D01632, Dexamethasone dipropionate (USAN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4407,-4.2447,-3.6274,-3.0269,-3.0205,-2.9782,1.3644,1.3961,1.4654,1.5108,1.5483,D01632_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
230,D01632, Dexamethasone dipropionate (USAN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.5,-4.4249,-3.6289,-2.9893,-2.9773,-2.9514,1.3762,1.4022,1.4155,1.4201,1.5248,D01632_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
231,D01632, Dexamethasone dipropionate (USAN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4432,-4.4179,-3.6283,-3.0060000000000002,-2.9913,-2.9748,1.3717,1.3832,1.3997,1.4266,1.5419,D01632_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
232,D01632, Dexamethasone dipropionate (USAN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4324,-4.4279,-3.6276,-3.0316,-2.9946,-2.9728,1.4274,1.4367,1.4596,1.5367,1.5467,D01632_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
233,D01632, Dexamethasone dipropionate (USAN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4385,-4.4091,-3.6453,-2.9949,-2.9809,-2.9661,1.4334,1.464,1.5278,1.5388,1.6298,D01632_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
234,D01632, Dexamethasone dipropionate (USAN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4656,-4.4183,-3.6281,-2.9988,-2.9857,-2.9708,1.4098,1.445,1.5281,1.5413,1.5416,D01632_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
235,D01632, Dexamethasone dipropionate (USAN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.401,-4.3603,-3.6299,-2.9917,-2.9767,-2.9745,1.3796,1.3856,1.4194,1.4288,1.5322,D01632_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
236,D01632, Dexamethasone dipropionate (USAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.3816,-4.3626,-3.6274,-3.0308,-2.9838,-2.9699,1.3639,1.369,1.3911,1.4155,1.535,D01632_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
237,D01632, Dexamethasone dipropionate (USAN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4786,-4.444,-3.6281,-2.9845,-2.9777,-2.9762,1.4205,1.4278,1.4378,1.5192,1.5334,D01632_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
238,D01632, Dexamethasone dipropionate (USAN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-PKWREOPISA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4276,-4.4125,-3.5982,-2.9819,-2.9786,-2.9693,1.41,1.455,1.4992,1.5272,1.5341,D01632_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.384,-0.657,8,-1.0,0.59469384,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01632
239,D01948, Dexamethasone valerate (JAN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4334,-3.6289999999999996,-3.0122,-2.9716,-2.3655,-1.9129,1.3153,1.3331,1.3956,1.4381,1.5451,D01948_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
240,D01948, Dexamethasone valerate (JAN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4808,-3.6314,-2.9956,-2.9721,-2.3554,-1.913,1.4011,1.4195,1.4264,1.548,1.5763,D01948_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
241,D01948, Dexamethasone valerate (JAN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3811,-3.6294,-2.9955,-2.9804,-2.3582,-1.9109,1.3997,1.4271,1.4389,1.4919,1.5323,D01948_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
242,D01948, Dexamethasone valerate (JAN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4812,-3.6297,-2.9946,-2.9733,-2.3534,-1.9124,1.3092,1.3698,1.4022,1.4295,1.5416,D01948_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
243,D01948, Dexamethasone valerate (JAN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4948,-3.6298,-2.9886,-2.977,-2.3553,-1.913,1.4203,1.4278,1.4339,1.5529,1.5561,D01948_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
244,D01948, Dexamethasone valerate (JAN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.2952,-3.6284,-3.0193,-2.9688,-2.3436,-1.9156,1.2783,1.2984,1.4033,1.4052,1.5121,D01948_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
245,D01948, Dexamethasone valerate (JAN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3573,-3.6291,-3.016,-2.9735,-2.3619,-1.9759,1.409,1.4272,1.4462,1.5356,1.7317,D01948_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
246,D01948, Dexamethasone valerate (JAN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4214,-3.6427,-2.9999,-2.9693,-2.3581,-1.9069999999999998,1.3956,1.4189,1.4312,1.4607,1.5436,D01948_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
247,D01948, Dexamethasone valerate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4637,-3.6279,-2.998,-2.9672,-2.3632,-1.9281,1.4381,1.4728,1.5438,1.7581,1.8341,D01948_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
248,D01948, Dexamethasone valerate (JAN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.498,-3.6293,-2.9724,-2.9661,-2.3801,-1.9169,1.3348,1.3629,1.3641,1.4183,1.5237,D01948_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
249,D01948, Dexamethasone valerate (JAN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4591,-3.6299,-2.9752,-2.9689,-2.3508,-1.9123,1.3987,1.43,1.4508,1.5090000000000001,1.5366,D01948_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.251,-0.48200000000000004,8,,0.584514081,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01948
250,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4353,-3.6324,-2.9989999999999997,-2.9747,-2.3178,-1.9069,1.3849,1.385,1.4187,1.4384,1.5409,D02174_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
251,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3636,-3.6322,-3.0222,-2.9614,-2.3226,-1.9135,1.3501,1.3519,1.392,1.4308,1.53,D02174_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
252,D02174, Dexamethasone acetate (JAN/USP)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4576,-3.6285,-2.9979,-2.9764,-2.3421,-1.9126,1.4064,1.4284,1.5459,1.5623,1.5946,D02174_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
253,D02174, Dexamethasone acetate (JAN/USP)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3968,-3.6339,-3.0144,-2.9672,-2.3141,-1.915,1.3824,1.4081,1.4309,1.4946,1.5407,D02174_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
254,D02174, Dexamethasone acetate (JAN/USP)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4506,-3.6284,-2.9938,-2.9776,-2.3386,-1.9221,1.3694,1.3836,1.4073,1.43,1.5422,D02174_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
255,D02174, Dexamethasone acetate (JAN/USP), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.459,-3.6339,-3.0007,-2.9777,-2.3472,-1.9157,1.4507,1.4668,1.5416,1.5445,1.6348,D02174_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
256,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3869,-3.6287,-3.0069,-2.9721,-2.3205,-1.9094,1.4062,1.4191,1.4326,1.5291,1.5327,D02174_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
257,D02174, Dexamethasone acetate (JAN/USP)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.43,-3.6323,-2.9855,-2.9787,-2.3358,-1.9662,1.4068,1.4141,1.4418,1.5319,1.5669,D02174_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
258,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4024,-3.6355,-3.0246,-2.9779,-2.3412,-1.9139,1.4169,1.4391,1.5419,1.5599,1.5873,D02174_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
259,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4944,-3.6428,-2.9981,-2.9815,-2.3372,-1.9144,1.4094,1.4349,1.5498,1.5703,1.6323,D02174_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
260,D02174, Dexamethasone acetate (JAN/USP), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4225,-3.6495,-2.9969,-2.9613,-2.3122,-1.9142,1.4228,1.4372,1.476,1.5407,1.5997,D02174_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.177,-0.39299999999999996,8,,0.258178979,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02174
261,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.3159,-4.423,-3.6532,-3.6287,-2.9944,-2.9753,1.4444,1.5330000000000001,1.5346,1.5823,1.6412,D02591_A01AC02,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
262,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.4486,-4.4263,-3.6292,-3.6274,-2.9986,-2.9774,1.4337,1.4701,1.5319,1.5418,1.6269,D02591_C05AA09,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
263,D02591, Dexamethasone acefurate (USAN/INN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.3148,-4.4223,-3.6864,-3.6315,-2.9938,-2.9742,1.5306,1.5466,1.5838,1.6312,1.6842,D02591_D07AB19,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
264,D02591, Dexamethasone acefurate (USAN/INN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.395,-4.4217,-3.6472,-3.6303,-3.0001,-2.9576,1.4412,1.4588,1.537,1.5415,1.6324,D02591_D07XB05,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
265,D02591, Dexamethasone acefurate (USAN/INN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.3451,-4.4295,-3.6905,-3.6298,-2.9942,-2.9724,1.4112,1.4468,1.5324,1.5424,1.6018,D02591_D10AA03,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
266,D02591, Dexamethasone acefurate (USAN/INN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.4743,-4.4203,-3.6296,-3.5934,-3.0,-2.98,1.5266,1.5319,1.5433,1.6211,1.7301,D02591_H02AB02,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
267,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.4897,-4.4174,-3.6811,-3.6325,-2.9901,-2.9732,1.4305,1.4354,1.5322,1.5549,1.6012,D02591_R01AD03,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
268,D02591, Dexamethasone acefurate (USAN/INN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.4555,-4.4187,-3.6823,-3.6289,-2.9925,-2.9743,1.4249,1.4837,1.5358,1.5443,1.5947,D02591_S01BA01,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
269,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.3399,-4.4286,-3.6616,-3.6289,-3.008,-2.9613,1.4326,1.5328,1.5432,1.6069,1.6167,D02591_S01CB01,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
270,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.3245,-4.4319,-3.6352,-3.633,-3.0004,-2.9662,1.4473,1.5349,1.5368,1.6286,1.6428,D02591_S02BA06,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
271,D02591, Dexamethasone acefurate (USAN/INN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)OC(=O)c1ccco1)C)C)O)F)C,528.566,3.9242,133.59799999999998,120.11,40,1,8,DDIWRLSEGOVQQD-BJRLRHTOSA-N,C29H33FO8,CC(=O)OCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1",-5.4855,-4.4206,-3.6575,-3.6289,-3.0013,-2.9701,1.431,1.4472,1.5384,1.5419,1.6072,D02591_S03BA01,00020002004002e40a0002038102000000000098304048040220002040042020140a5a0000a00001800a041821000000012002000020411300000082004082000810080220040080000081002884024600f000402021000000001001004100030204200280000000004000005014280000130900010118000008608102001100,1400002c30b005,1f290000000001000000900000000000000100000000a000000000000000000000004640437805,000000020002020182084485949d2ce4a95db7d71e,1,5,64,6,0,7,71,75,-10.168,-0.74,8,1.0,0.610552371,-,4.5498,-,4.5498,https://www.genome.jp/dbget-bin/www_bget?dr:D02591
272,D02592, Dexamethasone beloxil (USAN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5454,-2.9698,-2.3581,-2.3173,-1.9226,-1.9105,1.3287,1.3789,1.3828,1.4188,1.5046,D02592_A01AC02,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
273,D02592, Dexamethasone beloxil (USAN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.6145,-2.9664,-2.3877,-2.3115,-1.9306,-1.9097,1.3381,1.411,1.436,1.4363,1.5772,D02592_C05AA09,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
274,D02592, Dexamethasone beloxil (USAN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5868,-2.9653,-2.3872,-2.3227,-1.9408,-1.9116,1.2986,1.4204,1.4294,1.4371,1.5941,D02592_D07AB19,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
275,D02592, Dexamethasone beloxil (USAN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.6141,-2.975,-2.3935,-2.3233,-1.9475,-1.9182,1.1871,1.4262,1.4321,1.5869,1.6119,D02592_D07XB05,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
276,D02592, Dexamethasone beloxil (USAN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5943,-2.971,-2.3986,-2.3219,-1.9327,-1.9274,1.1391,1.1575,1.4140000000000001,1.419,1.5867,D02592_D10AA03,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
277,D02592, Dexamethasone beloxil (USAN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.6014,-2.9679,-2.3919,-2.305,-1.9344,-1.906,1.3372,1.3731,1.381,1.4146,1.44,D02592_H02AB02,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
278,D02592, Dexamethasone beloxil (USAN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.6353,-2.965,-2.3896,-2.3405,-1.9371,-1.9241,1.12,1.4182,1.4363,1.4938,1.5652,D02592_R01AD03,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
279,D02592, Dexamethasone beloxil (USAN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5283,-2.9635,-2.3736,-2.3305,-1.9548,-1.9185,1.2867,1.3003,1.3940000000000001,1.4129,1.4869,D02592_S01BA01,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
280,D02592, Dexamethasone beloxil (USAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5918,-2.9772,-2.3878,-2.3418,-1.9403,-1.9215,1.2146,1.4029,1.4309,1.4678,1.5605,D02592_S01CB01,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
281,D02592, Dexamethasone beloxil (USAN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.5827,-2.9675,-2.407,-2.3459,-1.926,-1.9143,1.3619,1.381,1.4007,1.5186,1.5657,D02592_S02BA06,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
282,D02592, Dexamethasone beloxil (USAN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COCc1ccccc1)O)C)C)O)F)C,482.584,4.1202,131.174,83.83,40,2,5,FXEMVMUWTJUWJB-DKOUAETMSA-N,C29H35FO5,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COCc1ccccc1)C)C)C,"InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1",-3.6186,-2.9621,-2.3888,-2.3053,-1.9483,-1.9111,1.1928,1.4223,1.4298,1.4409999999999998,1.5674,D02592_S03BA01,00020002000002640000020300020000000000902040480002200080000420001408520000800001a002000821000000012002000020410300000082000080000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400006c30b001,1fe900000000010000000000000000000001000000000000000000000000000000004240437804,000000020002020082086087949d2ce0ad5eb7d71e,1,6,64,4,0,5,70,74,-10.101,-0.344,8,1.0,0.792576194,-,2.89,-,2.89,https://www.genome.jp/dbget-bin/www_bget?dr:D02592
283,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.9223,-4.4279,-3.6317,-3.2747,-2.9618,-2.9369,1.3767,1.4563,1.5261,1.5296,1.6046,D07073_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
284,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.881,-4.4272,-3.6282,-3.3006,-2.9786,-2.9654,1.3936,1.4131,1.4147,1.4297,1.5416,D07073_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
285,D07073, Dexamethasone cipecilate (JAN/INN)," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.8915,-4.4219,-3.6292,-3.2954,-2.9928,-2.9746,1.4049,1.4302,1.4316,1.5046,1.5330000000000001,D07073_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
286,D07073, Dexamethasone cipecilate (JAN/INN)," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.8699,-4.7078,-3.6282,-3.2867,-3.0177,-2.9558,1.4392,1.5123,1.5324,1.5859999999999999,1.8244,D07073_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
287,D07073, Dexamethasone cipecilate (JAN/INN)," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.785,-4.3704,-3.6278,-3.2392,-3.0117,-2.9664,1.4280000000000002,1.4327,1.5326,1.5426,1.5465,D07073_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
288,D07073, Dexamethasone cipecilate (JAN/INN), Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.9132,-4.4343,-3.6288,-3.2198,-2.9968,-2.9691,1.4143,1.4271,1.4302,1.527,1.5344,D07073_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
289,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.9279,-4.4221,-3.6297,-3.2472,-3.0073,-2.9669,1.4266,1.4544,1.54,1.5485,1.5503,D07073_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
290,D07073, Dexamethasone cipecilate (JAN/INN)," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.9121,-4.4181,-3.6349,-3.2246,-2.9919,-2.9717,1.358,1.4104,1.4259,1.4503,1.5203,D07073_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
291,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.934,-4.4254,-3.6292,-3.2665,-2.9688,-2.9686,1.4166,1.4483,1.4786,1.5337,1.5391,D07073_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
292,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.8701,-4.427,-3.628,-3.3608,-2.9856,-2.9755,1.3942,1.4366,1.4439,1.5344,1.5536,D07073_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
293,D07073, Dexamethasone cipecilate (JAN/INN), Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C1CCCCC1)OC(=O)C1CC1)C)C)O)F)C,570.689,4.9878,150.852,106.97,50,1,7,JPTKVJWWVFLEJL-GVPGRCOTSA-N,C33H43FO7,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(OC(=O)C1CC1)C(=O)COC(=O)C1CCCCC1)C)C)C,"InChI=1S/C33H43FO7/c1-19-15-25-24-12-11-22-16-23(35)13-14-30(22,2)32(24,34)26(36)17-31(25,3)33(19,41-29(39)21-9-10-21)27(37)18-40-28(38)20-7-5-4-6-8-20/h13-14,16,19-21,24-26,36H,4-12,15,17-18H2,1-3H3/t19-,24+,25+,26+,30+,31+,32+,33+/m1/s1",-4.8497,-4.4187,-3.6282,-3.2678,-2.9904,-2.9536,1.4327,1.4406,1.4542,1.5314,1.5452,D07073_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080012880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000020020002020082084085949d2ce4a95cb7d71c,1,0,83,6,0,8,84,89,-10.22,-0.461,8,1.0,0.908329487,-,5.265,-,5.265,https://www.genome.jp/dbget-bin/www_bget?dr:D07073
294,D07796, Dexamethasone 21-acetate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3939,-3.6288,-3.0046,-2.9808,-2.333,-1.9225,1.3471,1.3764,1.4033,1.4314,1.5364,D07796_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
295,D07796, Dexamethasone 21-acetate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4392,-3.6277,-2.9873,-2.9768,-2.3389,-1.9211,1.4123,1.4323,1.5019999999999998,1.5406,1.5643,D07796_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
296,D07796, Dexamethasone 21-acetate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4110000000000005,-3.6283,-2.9947,-2.9775,-2.3394,-1.9197,1.381,1.4128,1.4266,1.4342,1.5391,D07796_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
297,D07796, Dexamethasone 21-acetate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4568,-3.6279,-2.9893,-2.9727,-2.3355,-1.9154,1.3768,1.4099,1.4340000000000002,1.541,1.5804,D07796_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
298,D07796, Dexamethasone 21-acetate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3862,-3.6338,-3.0087,-2.9823,-2.3391,-1.9171,1.4057,1.4426,1.5362,1.5596,1.6116,D07796_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
299,D07796, Dexamethasone 21-acetate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4157,-3.6156,-3.0011,-2.9781,-2.3413,-1.923,1.3967,1.4092,1.4356,1.5055,1.5401,D07796_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
300,D07796, Dexamethasone 21-acetate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4129,-3.6312,-2.9941,-2.9751,-2.3418,-1.9211,1.4182,1.4349,1.5119999999999998,1.5405,1.5611,D07796_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
301,D07796, Dexamethasone 21-acetate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4424,-3.6286,-2.9897,-2.9689,-2.3212,-1.9084,1.3725,1.4056,1.4311,1.5392,1.5991,D07796_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
302,D07796, Dexamethasone 21-acetate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.4412,-3.6319999999999997,-2.9889,-2.9610000000000003,-2.3063,-1.9089,1.3806,1.4081,1.4235,1.4374,1.5389,D07796_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
303,D07796, Dexamethasone 21-acetate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.444,-3.6326,-2.9982,-2.9676,-2.323,-1.9165,1.3873,1.4197,1.4355,1.5382,1.6098,D07796_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
304,D07796, Dexamethasone 21-acetate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-RPRRAYFGSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",-4.3744,-3.6273,-3.0181,-2.9729,-2.3414,-1.9232,1.3819,1.4112,1.4388,1.5383,1.5518,D07796_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.4,8,1.0,0.25569108100000004,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07796
305,D07797, Dexamethasone isonicotinate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2461,-3.6289,-2.9619999999999997,-2.9154,-2.3122,-1.9093,1.3344,1.423,1.4446,1.5339,1.5796,D07797_A01AC02,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
306,D07797, Dexamethasone isonicotinate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.284,-3.6325,-2.9742,-2.8855,-2.3413,-1.9126,1.412,1.4346,1.4374,1.5402,1.5456,D07797_C05AA09,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
307,D07797, Dexamethasone isonicotinate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2544,-3.6352,-2.9801,-2.9046,-2.3389,-1.9136,1.4144,1.4387,1.4471,1.5354,1.5901,D07797_D07AB19,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
308,D07797, Dexamethasone isonicotinate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2226,-3.6335,-2.9766,-2.9011,-2.3331,-1.9118,1.4436,1.5054,1.53,1.5984,1.6751,D07797_D07XB05,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
309,D07797, Dexamethasone isonicotinate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.3007,-3.6347,-2.9809,-2.8918,-2.3431,-1.9164,1.4054,1.4332,1.5419,1.5677,1.6211,D07797_D10AA03,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
310,D07797, Dexamethasone isonicotinate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2399,-3.6345,-2.9735,-2.8966,-2.3335,-1.9165,1.4154,1.4380000000000002,1.4657,1.536,1.6322,D07797_H02AB02,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
311,D07797, Dexamethasone isonicotinate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2799,-3.6353,-2.9804,-2.8916,-2.3298,-1.9173,1.3287,1.4125,1.4388,1.5362,1.5896,D07797_R01AD03,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
312,D07797, Dexamethasone isonicotinate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2855,-3.6286,-2.9694,-2.8963,-2.3076,-1.9103,1.3245,1.3807,1.4159,1.4456,1.5392,D07797_S01BA01,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
313,D07797, Dexamethasone isonicotinate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2801,-3.6278,-2.9794,-2.8873,-2.3366,-1.9236,1.3556,1.4055,1.4338,1.5387,1.5723,D07797_S01CB01,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
314,D07797, Dexamethasone isonicotinate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2703,-3.6319999999999997,-2.9721,-2.8915,-2.3365,-1.916,1.4126,1.4341,1.4664,1.5366,1.6088,D07797_S02BA06,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
315,D07797, Dexamethasone isonicotinate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)O)F)C,497.555,3.1554,129.39,113.79,39,2,7,BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccncc1)C)C)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",-4.2655,-3.6355,-2.9689,-2.9079,-2.3168,-1.9118,1.3497,1.4119,1.4378,1.5349,1.5871,D07797_S03BA01,20020002000002e40a00020300020000000000902040480002000000000420001408520000808021808a000821000040012002000020610300000082010082000c100c0200040000000081002888028400d0004004000000400010010001400106040002800000000080000050142c0000130900004110000018408102000100,1400006c30b005,1f6900000000010000009000000000000001000000009000000000000000000000004640437804,000000020002020083084087969d2ce5ad5db7d71f,1,6,61,5,0,5,68,72,-10.191,-0.8420000000000001,8,0.0,0.583028316,-,3.3295,-,3.3295,https://www.genome.jp/dbget-bin/www_bget?dr:D07797
316,D07798, Dexamethasone sodium hemisulfate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8429,-10.7461,-10.2161,-6.8959,-3.6352,-3.1918,2.4044,2.5744,2.6236,2.7422,3.1578,D07798_A01AC02,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
317,D07798, Dexamethasone sodium hemisulfate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8322,-10.7906,-10.2024,-6.8619,-3.805,-3.6284,2.4068,2.5927,2.6348,2.7468,3.1555,D07798_C05AA09,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
318,D07798, Dexamethasone sodium hemisulfate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8359,-10.7835,-10.2114,-6.8695,-3.6349,-3.1749,2.4069,2.5631,2.6319999999999997,2.7359,3.1647,D07798_D07AB19,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
319,D07798, Dexamethasone sodium hemisulfate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8554,-10.7579,-10.22,-6.846,-4.1752,-3.8515,2.6088,2.6298,2.6519,3.1489999999999996,3.4574,D07798_D07XB05,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
320,D07798, Dexamethasone sodium hemisulfate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.835999999999999,-10.7903,-10.2004,-6.8494,-4.1106,-3.6287,2.405,2.6156,2.6328,3.1403,3.3889,D07798_D10AA03,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
321,D07798, Dexamethasone sodium hemisulfate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8636,-10.7639,-10.2063,-6.8905,-3.6347,-3.2045,2.4075,2.5739,2.6173,2.7461,3.1593,D07798_H02AB02,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
322,D07798, Dexamethasone sodium hemisulfate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8472,-10.7857,-10.2137,-6.8619,-4.0675,-3.6344,2.4138,2.5859,2.6428,3.1438,3.3968,D07798_R01AD03,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
323,D07798, Dexamethasone sodium hemisulfate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.9019,-10.8699,-10.2067,-6.8278,-4.0445,-3.6289,2.421,2.6132,2.6308,3.1054,3.3539999999999996,D07798_S01BA01,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
324,D07798, Dexamethasone sodium hemisulfate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8582,-10.6925,-10.2118,-6.8423,-4.3209,-3.6345,2.4038,2.5865,2.6104,3.1135,3.2692,D07798_S01CB01,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
325,D07798, Dexamethasone sodium hemisulfate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.9235,-10.6841,-10.2244,-6.8304,-4.4199,-3.6282,2.4068,2.5909,2.6295,3.0837,3.2327,D07798_S02BA06,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
326,D07798, Dexamethasone sodium hemisulfate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COS(=O)(=O)O)C)C)O)F)C,472.524,2.8036,112.415,146.58,36,3,8,URGVZGFGWFYRGP-CXSFZGCWSA-N,C22H29FO8S,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COS(=O)(=O)O)C)C)C,"InChI=1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.8091,-10.7213,-10.2036,-6.8969,-3.6351,-3.1664,2.408,2.5801,2.6362,2.7346,3.1731,D07798_S03BA01,20020100000002240000000300800208000000902040404002000000010020011008520aa08000018042002041000000012002000020c10300000000000800040800080002040000020080002880020400500040002000000000100000000001020c000280000080000000000014280000104800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000801000000000000004040437804,00000002c082421a9609c087b49f2ce8af5cbfd71c,1,0,58,6,0,4,61,64,-7.108,0.74,8,3.0,0.00052826,-,3.1297,-,3.1297,https://www.genome.jp/dbget-bin/www_bget?dr:D07798
327,D07799, Dexamethasone 21-tebutate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4735,-3.6291,-2.9819,-2.9769,-2.3321,-1.9233,1.3975,1.4093,1.4298,1.4525,1.5485,D07799_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
328,D07799, Dexamethasone 21-tebutate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.3867,-3.635,-2.9853,-2.972,-2.3219,-1.9141,1.3725,1.4065,1.4295,1.5376,1.5552,D07799_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
329,D07799, Dexamethasone 21-tebutate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.3792,-3.6369,-2.9861,-2.9809,-2.3325,-1.9172,1.4997,1.5337,1.5602,1.5882,1.6466,D07799_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
330,D07799, Dexamethasone 21-tebutate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4198,-3.6224,-2.9926,-2.9675,-2.3174,-1.9073,1.4138,1.4206,1.433,1.5427,1.5930000000000002,D07799_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
331,D07799, Dexamethasone 21-tebutate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.3889,-3.6361,-2.9926,-2.9794,-2.3336,-1.9140000000000001,1.4347,1.4827,1.5354,1.5806,1.7808,D07799_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
332,D07799, Dexamethasone 21-tebutate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.444,-3.6288,-2.9887,-2.9734,-2.34,-1.9126,1.4369999999999998,1.4517,1.4844,1.5405,1.5695,D07799_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
333,D07799, Dexamethasone 21-tebutate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4558,-3.6314,-2.9961,-2.9818,-2.3343,-1.9242,1.3535,1.3792,1.4002,1.4276,1.5477,D07799_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
334,D07799, Dexamethasone 21-tebutate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.435,-3.6343,-2.995,-2.9794,-2.3362,-1.9158,1.4076,1.4126,1.4337,1.5422,1.5756,D07799_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
335,D07799, Dexamethasone 21-tebutate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4634,-3.6336,-2.9964,-2.9754,-2.3321,-1.9454,1.3963,1.4118,1.4308,1.5562,1.6419,D07799_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
336,D07799, Dexamethasone 21-tebutate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4424,-3.6363,-2.9734,-2.9703,-2.3238,-1.9164,1.3908,1.4124,1.4336,1.5432,1.5958,D07799_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
337,D07799, Dexamethasone 21-tebutate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CC(C)(C)C)C)C)O)F)C,490.60400000000004,3.8828,130.662,100.9,45,2,6,PQVDYPCHUGFHAR-PKWREOPISA-N,C28H39FO6,O=C(CC(C)(C)C)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1",-4.4477,-3.6292,-2.9896,-2.9678,-2.3233,-1.9136,1.3894,1.4076,1.413,1.4354,1.5427,D07799_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4087949d2ce4ad5cb7d71c,1,0,72,5,0,6,74,77,-10.15,-0.39299999999999996,8,0.0,0.534061074,-,3.9512,-,3.9512,https://www.genome.jp/dbget-bin/www_bget?dr:D07799
338,D07800, Dexamethasone 21-valerate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4412,-3.6351,-2.9931,-2.963,-2.3075,-1.9114,1.4125,1.4391,1.4531,1.5395,1.5802,D07800_A01AC02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
339,D07800, Dexamethasone 21-valerate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3768,-3.6354,-3.0128,-2.9827,-2.3339,-1.9148,1.4133,1.4352,1.4388,1.5396,1.5747,D07800_C05AA09,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
340,D07800, Dexamethasone 21-valerate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4349,-3.6214,-2.9925,-2.9711,-2.323,-1.9119,1.4263,1.4344,1.5112,1.5355,1.5809,D07800_D07AB19,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
341,D07800, Dexamethasone 21-valerate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.5225,-3.5961,-2.9708,-2.9329,-2.32,-1.945,1.4181,1.4209,1.4315,1.5287,1.6659,D07800_D07XB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
342,D07800, Dexamethasone 21-valerate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3988,-3.6349,-2.9953,-2.9713,-2.3226,-1.9137,1.4131,1.4327,1.4436,1.5344,1.577,D07800_D10AA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
343,D07800, Dexamethasone 21-valerate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4475,-3.6318,-2.9778,-2.9723,-2.3221,-1.9077,1.4179,1.4373,1.5283,1.5401,1.5507,D07800_H02AB02,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
344,D07800, Dexamethasone 21-valerate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3938,-3.6286,-3.0065,-2.9764,-2.3308,-2.0526,1.4227,1.4507,1.5517,1.5783,1.589,D07800_R01AD03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
345,D07800, Dexamethasone 21-valerate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4213,-3.6247,-3.0055,-2.9736,-2.3296,-1.9142,1.3915,1.4177,1.4372,1.5409,1.5923,D07800_S01BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
346,D07800, Dexamethasone 21-valerate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4127,-3.6211,-3.0027,-2.9682,-2.3118,-1.9119,1.4196,1.4336,1.5407,1.5706,1.5748,D07800_S01CB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
347,D07800, Dexamethasone 21-valerate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.3993,-3.6425,-3.0117,-2.9832,-2.3213,-1.9203,1.4082,1.4343,1.5337,1.5471,1.6438,D07800_S02BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
348,D07800, Dexamethasone 21-valerate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,FEROCCAEIIKMJT-OMPPIWKSSA-N,C27H37FO6,CCCCC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1",-4.4102,-3.6287,-2.9984,-2.9703,-2.3214,-1.9138,1.4175,1.4359,1.5403,1.5590000000000002,1.5969,D07800_S03BA01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.232999999999999,-0.43799999999999994,8,0.0,0.560190976,-,2.983,-,2.983,https://www.genome.jp/dbget-bin/www_bget?dr:D07800
349,D07801, Dexamethasone phenylpropionate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.401,-3.6286,-3.0035,-2.9647,-2.3136,-1.909,1.3556,1.4135,1.4409,1.5386,1.5928,D07801_A01AC02,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
350,D07801, Dexamethasone phenylpropionate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4698,-3.6343,-2.9673,-2.9646,-2.3144,-1.9159,1.4191,1.4339,1.4372,1.5313,1.621,D07801_C05AA09,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
351,D07801, Dexamethasone phenylpropionate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4395,-3.6289999999999996,-2.9814,-2.9453,-2.3369999999999997,-1.9268,1.4118,1.4303,1.4404,1.5208,1.5996,D07801_D07AB19,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
352,D07801, Dexamethasone phenylpropionate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4121,-3.6283,-2.9805,-2.9791,-2.3448,-1.9377,1.4080000000000001,1.4395,1.5188,1.5334,1.5836,D07801_D07XB05,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
353,D07801, Dexamethasone phenylpropionate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.3521,-3.6289999999999996,-3.0503,-2.9688,-2.3194,-1.912,1.3722,1.392,1.4493,1.4980000000000002,1.5385,D07801_D10AA03,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
354,D07801, Dexamethasone phenylpropionate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4214,-3.6377,-2.9856,-2.9825,-2.3345,-1.9152,1.4293,1.4341,1.54,1.5728,1.6021,D07801_H02AB02,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
355,D07801, Dexamethasone phenylpropionate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4647,-3.6271,-2.9847,-2.9775,-2.3364,-1.9279,1.4133,1.4264,1.5266,1.5471,1.5819999999999999,D07801_R01AD03,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
356,D07801, Dexamethasone phenylpropionate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.3288,-3.6345,-3.022,-2.9794,-2.3273,-1.9173,1.3335,1.3706,1.3927,1.4205,1.528,D07801_S01BA01,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
357,D07801, Dexamethasone phenylpropionate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4551,-3.6287,-2.9877,-2.9656,-2.3199,-1.9107,1.421,1.4371,1.5426,1.5449,1.5974,D07801_S01CB01,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
358,D07801, Dexamethasone phenylpropionate, Corticosteroids,S02BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.4512,-3.6296,-2.9715,-2.9715,-2.3271,-1.9099,1.4169999999999998,1.4366,1.4395,1.5363,1.581,D07801_S02BA06,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
359,D07801, Dexamethasone phenylpropionate, Corticosteroids,S03BA01,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)CCc1ccccc1)C)C)O)F)C,524.62,4.0794,140.988,100.9,43,2,6,CTKMBLPPDDQOSU-JPYVRCQISA-N,C31H37FO6,O=C(CCc1ccccc1)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1",-4.3638,-3.6241,-3.0048,-2.9764,-2.3322,-1.9212,1.4012,1.4095,1.4409,1.5362,1.5869,D07801_S03BA01,00060002000002240a00020300020000000000902040400002000080000c20001408520040800001800a000821010000012002000820410300000082000082000810080800040000000080002880020400d000400000100840081801000800010204000280000000000000004014280000130900000110000800408142000100,1400006c30b005,1f6900000000010000009000000000000001000000000000000000000000000000004240437805,000000020002020082084087949d2ce4ad5cb7d71e,1,6,68,5,0,7,75,79,-10.137,-0.40399999999999997,8,1.0,0.893199086,-,3.5245,-,3.5245,https://www.genome.jp/dbget-bin/www_bget?dr:D07801
360,D07802, Dexamethasone phosphate, Corticosteroids for local oral treatment,A01AC02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5524,-10.5295,-10.252,-7.5214,-3.8717,-3.6674,2.9619999999999997,3.0325,3.1574,3.5179,5.0704,D07802_A01AC02,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
361,D07802, Dexamethasone phosphate, Corticosteroids,C05AA09,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5471,-10.546,-10.274000000000001,-7.4987,-3.7232,-3.6462,3.0256,3.0361,3.0994,3.4552,5.0815,D07802_C05AA09,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
362,D07802, Dexamethasone phosphate," Corticosteroids, moderately potent (group II)",D07AB19,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5662,-10.5192,-10.2376,-7.4914,-4.2518,-3.6737,3.0177,3.0482,3.0579,3.4464,5.098,D07802_D07AB19,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
363,D07802, Dexamethasone phosphate," Corticosteroids, moderately potent, other combinations",D07XB05,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5421,-10.5376,-10.255999999999998,-7.5359,-3.6217,-2.9736,2.887,3.008,3.0121,3.4718,5.064,D07802_D07XB05,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
364,D07802, Dexamethasone phosphate," Corticosteroids, combinations for treatment of acne",D10AA03,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5579,-10.552999999999999,-10.26,-7.5231,-3.6145,-3.5986,2.8853,3.0206,3.0221,3.4301,5.0662,D07802_D10AA03,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
365,D07802, Dexamethasone phosphate, Glucocorticoids,H02AB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5624,-10.5238,-10.2551,-7.505,-3.9589999999999996,-3.583,2.9913,3.0101,3.0148,3.5139,5.0584,D07802_H02AB02,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
366,D07802, Dexamethasone phosphate, Corticosteroids,R01AD03,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5468,-10.5365,-10.2537,-7.5211,-3.6243,-3.5291,2.8876,3.0184,3.0365,3.446,5.0847,D07802_R01AD03,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
367,D07802, Dexamethasone phosphate," Corticosteroids, plain",S01BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5447,-10.5391,-10.2434,-7.5549,-3.6404,-2.9795,2.8755,3.0429,3.0449,3.4226,5.1041,D07802_S01BA01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
368,D07802, Dexamethasone phosphate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.578,-10.5344,-10.2437,-7.5432,-3.8173,-3.6372,2.9307,3.0021,3.0483,3.4924,5.0373,D07802_S01CB01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
369,D07802, Dexamethasone phosphate, Corticosteroids,S02BA06,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5313,-10.5276,-10.2538,-7.5506,-3.6286,-2.9802,2.8810000000000002,3.0285,3.0355,3.4369,5.0961,D07802_S02BA06,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
370,D07802, Dexamethasone phosphate, Corticosteroids,S03BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-CXSFZGCWSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-10.5283,-10.5264,-10.2482,-7.5171,-3.8221,-3.6106,2.9861,3.0518,3.0908,3.4934,5.0958,D07802_S03BA01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.099,2.2030000000000003,8,0.0,3.14328e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D07802
371,D00088, Hydrocortisone (JP17/USP/INN), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.305,-2.9662,-2.3516,-2.3244,-1.9198,-1.8688,1.3994,1.4233,1.4438,1.5689,2.0617,D00088_A01AC03,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
372,D00088, Hydrocortisone (JP17/USP/INN), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3039,-2.9779,-2.3487,-2.336,-1.9196,-1.8392,1.4219,1.4396,1.57,1.5809,1.6129,D00088_A07EA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
373,D00088, Hydrocortisone (JP17/USP/INN), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3014,-2.9787,-2.3494,-2.3363,-1.9195,-1.8395,1.4231,1.4419,1.5697,1.581,1.6126,D00088_C05AA01,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
374,D00088, Hydrocortisone (JP17/USP/INN)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3055,-2.977,-2.3491,-2.3367,-1.9195,-1.8357,1.4217,1.4403,1.5702,1.5785,1.6087,D00088_D07AA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
375,D00088, Hydrocortisone (JP17/USP/INN)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3046,-2.9769,-2.3487,-2.3369,-1.9195,-1.8338,1.4216,1.4402,1.5685,1.579,1.6068,D00088_D07XA01,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
376,D00088, Hydrocortisone (JP17/USP/INN), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3011,-2.9764,-2.3474,-2.3375,-1.9195,-1.8328,1.4216,1.4403,1.5693,1.5819,1.6038,D00088_H02AB09,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
377,D00088, Hydrocortisone (JP17/USP/INN)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3054,-2.9764,-2.3482,-2.3367,-1.9196,-1.8351,1.4216,1.4402,1.5691,1.5798,1.6082,D00088_S01BA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
378,D00088, Hydrocortisone (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3047,-2.9772,-2.3487,-2.3362,-1.9196,-1.8381,1.4218,1.4399,1.569,1.5819,1.6106,D00088_S01CB03,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
379,D00088, Hydrocortisone (JP17/USP/INN), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)O)C)O,362.46,1.7816,97.5344,94.83,35,3,5,JYGXADMDTFJGBT-VWUMJDOOSA-N,C21H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3062,-2.9766,-2.3482,-2.3369,-1.9196,-1.8351,1.4217,1.4406,1.5671,1.5793,1.6082,D00088_S02BA01,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000000280000000000000000000000008100000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.977,0.0,7,,0.16837202,-,1.9280000000000002,-,1.9280000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00088
380,D00165, Hydrocortisone acetate (JP17/USP), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.3915,-3.3091,-3.0010000000000003,-2.9714,-2.325,-1.9312,1.2909,1.3751,1.4162,1.4364,1.5299,D00165_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
381,D00165, Hydrocortisone acetate (JP17/USP), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.3914,-3.3073,-3.0054,-2.9669,-2.3161,-1.9307,1.3619999999999999,1.3853,1.4125,1.4281,1.5357,D00165_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
382,D00165, Hydrocortisone acetate (JP17/USP), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.39,-3.3013,-3.0144,-2.9694,-2.3235,-1.9305,1.3746,1.4182,1.4355,1.46,1.5324,D00165_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
383,D00165, Hydrocortisone acetate (JP17/USP)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4163,-3.3067,-3.0212,-2.9858,-2.3202,-1.911,1.3718,1.3808,1.4172,1.4298,1.5489,D00165_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
384,D00165, Hydrocortisone acetate (JP17/USP)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4395,-3.3082,-2.9927,-2.9755,-2.3329,-1.9111,1.4171,1.4387,1.4486,1.4708,1.5384,D00165_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
385,D00165, Hydrocortisone acetate (JP17/USP), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4399,-3.3067,-2.9948,-2.9736,-2.3264,-1.9096,1.375,1.3873,1.4223,1.4378,1.5379,D00165_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
386,D00165, Hydrocortisone acetate (JP17/USP)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4289,-3.3069,-2.9966,-2.9776,-2.3274,-1.9111,1.3587,1.3788,1.4214,1.4368,1.5395,D00165_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
387,D00165, Hydrocortisone acetate (JP17/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4411,-3.3078,-2.9907,-2.9726,-2.332,-1.9074,1.3754,1.3811,1.4235,1.4389,1.5378,D00165_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
388,D00165, Hydrocortisone acetate (JP17/USP), Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)C)O)C,404.49699999999996,2.3524,107.272,100.9,38,2,6,ALEXXDVDDISNDU-JZYPGELDSA-N,C23H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4037,-3.3078,-3.0037,-2.988,-2.3275,-1.9076,1.3707,1.4172,1.4379,1.5339,1.5937,D00165_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008100000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,4,0,4,61,64,-10.217,-0.237,7,-1.0,0.286257654,-,2.4307,-,2.4307,https://www.genome.jp/dbget-bin/www_bget?dr:D00165
389,D00976, Hydrocortisone cypionate, Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4654,-3.3038,-2.9718,-2.9681,-2.3124,-1.9313,1.4317,1.4331,1.4432,1.5343,1.535,D00976_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
390,D00976, Hydrocortisone cypionate, Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4481,-3.304,-2.9906,-2.975,-2.3301,-1.931,1.4287,1.4331,1.4362,1.5195,1.5393,D00976_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
391,D00976, Hydrocortisone cypionate, Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4011,-3.3025,-2.9974,-2.9763,-2.3314,-1.913,1.4239,1.4386,1.4852,1.5428,1.5641,D00976_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
392,D00976, Hydrocortisone cypionate," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.3706,-3.301,-3.0032,-2.9797,-2.3289,-1.9316,1.4026,1.4097,1.4381,1.5421,1.558,D00976_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
393,D00976, Hydrocortisone cypionate," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.3985,-3.3064,-2.997,-2.9743,-2.322,-1.9114,1.3868,1.425,1.4333,1.4376,1.5379,D00976_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
394,D00976, Hydrocortisone cypionate, Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4283,-3.3034,-3.0033,-2.9886,-2.3232,-1.9321,1.3835,1.4124,1.4235,1.4302,1.5379,D00976_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
395,D00976, Hydrocortisone cypionate," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4363,-3.3011,-2.9946,-2.9786,-2.3332,-1.9311,1.4197,1.4452,1.4544,1.5386,1.5683,D00976_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
396,D00976, Hydrocortisone cypionate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.3709,-3.307,-2.9794,-2.978,-2.3208,-1.9094,1.3840000000000001,1.4259,1.4283,1.4309,1.5337,D00976_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
397,D00976, Hydrocortisone cypionate, Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC1CCCC1)O)C,486.64,4.3029,134.0,100.9,48,2,6,DLVOSEUFIRPIRM-KAQKJVHQSA-N,C29H42O6,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",-4.4241,-3.3066,-2.9942,-2.9693,-2.3209999999999997,-1.9148,1.4242,1.4311,1.4412,1.4782,1.5398,D00976_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,77,4,0,7,77,81,-10.192,-0.213,7,,0.8630137440000001,+,3.4667,-,3.4667,https://www.genome.jp/dbget-bin/www_bget?dr:D00976
398,D00977, Hydrocortisone sodium phosphate (JP17/U, Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5418,-10.5291,-10.2458,-7.5352,-3.3206,-2.9785,2.8963,3.0418,3.0451,3.4434,5.086,D00977_A01AC03,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
399,D00977, Hydrocortisone sodium phosphate (JP17/U, Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5312,-10.5261,-10.2588,-7.5259,-3.2901,-2.9772,2.8807,3.0058,3.0314,3.4702,5.0891,D00977_A07EA02,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
400,D00977, Hydrocortisone sodium phosphate (JP17/U, Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5495,-10.5473,-10.2548,-7.5252,-4.2755,-3.5802,3.0018,3.042,3.1502,3.4876,5.0849,D00977_C05AA01,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
401,D00977, Hydrocortisone sodium phosphate (JP17/U," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5463,-10.5145,-10.2739,-7.4834,-3.7409,-3.3797,2.9838,3.0116,3.0835,3.5119,5.066,D00977_D07AA02,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
402,D00977, Hydrocortisone sodium phosphate (JP17/U," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5447,-10.5405,-10.2592,-7.5118,-3.3204,-2.9683,2.8932,3.0036,3.0187,3.4692,5.0562,D00977_D07XA01,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
403,D00977, Hydrocortisone sodium phosphate (JP17/U, Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5516,-10.5111,-10.2613,-7.5011,-3.9809,-3.7181,2.9909,3.0071,3.1639,3.495,5.0954,D00977_H02AB09,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
404,D00977, Hydrocortisone sodium phosphate (JP17/U," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5563,-10.5329,-10.2321,-7.5298,-4.3408,-3.4488,3.0133,3.0228,3.1083,3.5169,5.0807,D00977_S01BA02,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
405,D00977, Hydrocortisone sodium phosphate (JP17/U, Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5656,-10.5554,-10.2498,-7.5368,-4.5497,-3.2381,2.9957,3.02,3.4852,3.497,5.074,D00977_S01CB03,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
406,D00977, Hydrocortisone sodium phosphate (JP17/U, Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COP(=O)(O)O)O)C,442.44,1.8986,108.445,151.17,37,4,8,BGSOJVFOEQLVMH-VWUMJDOOSA-N,C21H31O8P,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5313,-10.5282,-10.2541,-7.5216,-3.3143,-2.975,2.8914,3.0227,3.042,3.4594,5.0916,D00977_S02BA01,00800000000042251402000100000000000001800040400200000000000020001000000000800001800a00040000000003300000002041032000000020000200080208000004000020008280288082040050004000000000008010000000000102040000804000000000000004002800000a0000000100000000008100000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040407805,000000120084020092080087b49b2ce88f4cbfd71c,0,0,60,4,0,4,61,64,0.255,2.48,7,1.0,1.2796799999999998e-14,-,2.3221,-,2.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D00977
407,D00978, Hydrocortisone sodium succinate (JP17/U, Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5574,-4.468999999999999,-4.4475,-3.3069,-2.9844,-2.9786,1.5385,1.5577,1.6268,2.1169,2.3705,D00978_A01AC03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
408,D00978, Hydrocortisone sodium succinate (JP17/U, Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5841,-4.457,-4.3922,-3.3021,-2.9957,-2.9656,1.6944,1.8752,2.0662,2.0664,2.365,D00978_A07EA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
409,D00978, Hydrocortisone sodium succinate (JP17/U, Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5785,-4.4105,-4.4055,-3.3076,-3.0001,-2.9821,1.5376,1.5606,1.6202,2.1105,2.3665,D00978_C05AA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
410,D00978, Hydrocortisone sodium succinate (JP17/U," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5805,-4.4346,-4.4252,-3.3071,-2.9958,-2.9808,1.4398,1.5357,1.6411,1.7872,2.3896,D00978_D07AA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
411,D00978, Hydrocortisone sodium succinate (JP17/U," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5501,-4.4226,-4.4132,-3.3023,-3.0027,-2.9874,1.4414,1.5418,1.5657,1.6187,2.3588,D00978_D07XA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
412,D00978, Hydrocortisone sodium succinate (JP17/U, Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.563,-4.4331,-4.4329,-3.3066,-2.9905,-2.9728,1.4379,1.5345,1.6398,1.9584,2.3680000000000003,D00978_H02AB09,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
413,D00978, Hydrocortisone sodium succinate (JP17/U," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5673,-4.4509,-4.4307,-3.3059,-2.9981,-2.9827,1.5437,1.5636,1.8141,2.0943,2.3652,D00978_S01BA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
414,D00978, Hydrocortisone sodium succinate (JP17/U, Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.6057,-4.4141,-4.4101,-3.3076,-3.0033,-2.9712,1.439,1.5385,1.6495,1.9524,2.3932,D00978_S01CB03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
415,D00978, Hydrocortisone sodium succinate (JP17/U, Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCC(=O)O)O)C,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5821,-4.4142,-4.4125,-3.3059,-3.0051,-2.9819999999999998,1.6559,1.742,2.0566,2.0658,2.3654,D00978_S02BA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.678,1.125,7,1.0,0.001988748,-,3.1839,-,3.1839,https://www.genome.jp/dbget-bin/www_bget?dr:D00978
416,D01442, Hydrocortisone succinate (JP17), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5569,-4.4504,-4.4283,-3.3049,-2.9996,-2.9808,1.5871,1.6021,1.6383,2.1004,2.3679,D01442_A01AC03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
417,D01442, Hydrocortisone succinate (JP17), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5677,-4.4234,-4.4003,-3.3052,-3.0015,-2.9789,1.5349,1.5858,1.5927,1.639,2.3683,D01442_A07EA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
418,D01442, Hydrocortisone succinate (JP17), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5672,-4.4238,-4.4009,-3.3051,-3.0019,-2.9788,1.5352,1.5853,1.6015,1.639,2.3683,D01442_C05AA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
419,D01442, Hydrocortisone succinate (JP17)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5451,-4.4573,-4.3781,-3.3051,-3.0057,-2.9781,1.6082,1.7197,2.0755,2.1657,2.3661,D01442_D07AA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
420,D01442, Hydrocortisone succinate (JP17)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5643,-4.4375,-4.3819,-3.3048,-3.0028,-2.9760000000000004,1.599,1.6030000000000002,1.6998,2.0471,2.3637,D01442_D07XA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
421,D01442, Hydrocortisone succinate (JP17), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5376,-4.4629,-4.4618,-3.3034,-2.9839,-2.963,1.6766,1.694,2.0022,2.0926,2.3581,D01442_H02AB09,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
422,D01442, Hydrocortisone succinate (JP17)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5658,-4.3976,-4.3894,-3.3053,-3.0018,-2.9789,1.599,1.6397,1.7194,2.0726,2.3591,D01442_S01BA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
423,D01442, Hydrocortisone succinate (JP17), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5685,-4.4153,-4.4077,-3.3052,-2.9959,-2.9782,1.5363,1.5858,1.5911,1.6371,2.3672,D01442_S01CB03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
424,D01442, Hydrocortisone succinate (JP17), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5607,-4.4461,-4.395,-3.3052,-3.0147,-2.9814,1.6680000000000001,1.7685,2.1011,2.1036,2.3678,D01442_S02BA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.685,1.155,7,,0.00187564,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D01442
425,D01619, Hydrocortisone butyrate (JP17/USP), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4559,-3.3089,-2.9696,-2.9649,-2.3511,-1.9164,1.3227,1.4188,1.4408,1.4732,1.5398,D01619_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
426,D01619, Hydrocortisone butyrate (JP17/USP), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.3874,-3.3074,-3.0096,-2.97,-2.3506,-1.9115,1.3842,1.4034,1.4218,1.43,1.5445,D01619_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
427,D01619, Hydrocortisone butyrate (JP17/USP), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4125,-3.3031,-3.0031,-2.9725,-2.3575,-1.9331,1.3095,1.4056,1.4186,1.4395,1.5429,D01619_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
428,D01619, Hydrocortisone butyrate (JP17/USP)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.3865,-3.3004,-3.01,-2.9693,-2.3522,-1.9161,1.3432,1.3913,1.3915,1.4243,1.545,D01619_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
429,D01619, Hydrocortisone butyrate (JP17/USP)," Corticosteroids, moderately potent (group II)",D07AB02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4554,-3.3003,-3.0097,-2.9687,-2.3511,-1.9143,1.3452,1.3961,1.4181,1.4295,1.5632,D01619_D07AB02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
430,D01619, Hydrocortisone butyrate (JP17/USP)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.3601,-3.3058,-3.0304,-2.9696,-2.3539,-1.9138,1.393,1.4252,1.4345,1.5451,1.5492,D01619_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
431,D01619, Hydrocortisone butyrate (JP17/USP), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4363,-3.3089999999999997,-2.9989,-2.9672,-2.3703,-1.9117,1.4166,1.4269999999999998,1.4298,1.528,1.5443,D01619_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
432,D01619, Hydrocortisone butyrate (JP17/USP)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4543,-3.3031,-2.9736,-2.9669,-2.3553,-1.9311,1.4097,1.425,1.4311,1.4739,1.5416,D01619_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
433,D01619, Hydrocortisone butyrate (JP17/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4182,-3.3083,-2.9877,-2.9754,-2.3476,-1.9158,1.3395,1.4126,1.4343,1.4456,1.5406,D01619_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
434,D01619, Hydrocortisone butyrate (JP17/USP), Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)CO)OC(=O)CCC)C,432.55,3.1326,116.88600000000001,100.9,42,2,6,BMCQMVFGOVHVNG-TUFAYURCSA-N,C25H36O6,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",-4.4836,-3.3061,-2.9744,-2.968,-2.3543,-1.9069999999999998,1.3259999999999998,1.3913,1.4117,1.4451,1.5473,D01619_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,66,4,0,6,67,70,-10.211,-0.136,7,,0.544041514,-,2.5726,-,2.5726,https://www.genome.jp/dbget-bin/www_bget?dr:D01619
435,D01886, Hydrocortisone probutate (USAN), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4342,-4.4264,-3.3021,-3.0453,-3.0076,-2.968,1.3836,1.3979,1.4404,1.4485,1.5443,D01886_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
436,D01886, Hydrocortisone probutate (USAN), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4281,-4.4249,-3.3077,-3.0232,-2.9892,-2.9702,1.3816,1.3926,1.4423,1.5351,1.551,D01886_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
437,D01886, Hydrocortisone probutate (USAN), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4548,-4.4327,-3.3026,-3.0069,-2.9939999999999998,-2.9662,1.3729,1.3869,1.4149,1.4416,1.541,D01886_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
438,D01886, Hydrocortisone probutate (USAN)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4837,-4.3764,-3.3034,-2.9984,-2.9751,-2.9675,1.3939,1.4181,1.4412,1.4718,1.5204,D01886_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
439,D01886, Hydrocortisone probutate (USAN)," Corticosteroids, moderately potent (group II)",D07AB11,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4357,-4.3839999999999995,-3.302,-2.9985,-2.9796,-2.9683,1.3503,1.374,1.3888,1.4451,1.5374,D01886_D07AB11,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
440,D01886, Hydrocortisone probutate (USAN)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4934,-4.4502,-3.3023,-2.9806,-2.9793,-2.9729,1.3645,1.3878,1.4049,1.4369999999999998,1.5332,D01886_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
441,D01886, Hydrocortisone probutate (USAN), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.3733,-4.3591,-3.3038,-3.0163,-2.9945,-2.9766,1.3838,1.4187,1.4406,1.5339,1.5369,D01886_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
442,D01886, Hydrocortisone probutate (USAN)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.5051,-4.4151,-3.302,-3.0053,-2.9679,-2.9667,1.3763,1.3885,1.3923,1.4393,1.5368,D01886_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
443,D01886, Hydrocortisone probutate (USAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.5717,-4.4372,-3.3026,-2.99,-2.986,-2.9577,1.3573,1.3583,1.4232,1.5222,1.5328,D01886_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
444,D01886, Hydrocortisone probutate (USAN), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CC)OC(=O)CCC)C)O,488.61300000000006,4.0935,131.43,106.97,47,1,7,FOGXJPFPZOHSQS-AYVLZSQQSA-N,C28H40O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)CC,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",-4.4403,-4.3387,-3.3022,-3.0171,-3.0003,-2.9662,1.3227,1.3613,1.3773,1.4355,1.5361,D01886_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,73,5,0,9,75,78,-9.979,-0.309,7,0.0,0.74353987,-,3.355,-,3.355,https://www.genome.jp/dbget-bin/www_bget?dr:D01886
445,D02288, Hydrocortisone valerate (USP), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4715,-3.3008,-3.0035,-2.9721,-2.3497,-1.935,1.291,1.2941,1.4,1.431,1.5419999999999998,D02288_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
446,D02288, Hydrocortisone valerate (USP), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4638,-3.3028,-2.9964,-2.9723,-2.35,-1.9352,1.3111,1.321,1.4031,1.4345,1.535,D02288_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
447,D02288, Hydrocortisone valerate (USP), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4404,-3.3019,-3.0101,-2.9665,-2.3369999999999997,-1.9333,1.3202,1.3393,1.3976,1.4429,1.5494,D02288_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
448,D02288, Hydrocortisone valerate (USP)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.3802,-3.3016,-3.0064,-2.9768,-2.3708,-1.9509,1.3866,1.4012,1.4222,1.5334,1.6978,D02288_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
449,D02288, Hydrocortisone valerate (USP)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4792,-3.306,-2.9956,-2.9742,-2.3504,-1.9318,1.3684,1.4247,1.4287,1.5422,1.5848,D02288_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
450,D02288, Hydrocortisone valerate (USP), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4615,-3.3031,-3.0089,-2.9788,-2.3713,-2.1024,1.4274,1.4305,1.4758,1.535,1.5478,D02288_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
451,D02288, Hydrocortisone valerate (USP)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.5098,-3.304,-3.009,-2.9739999999999998,-2.3539,-1.9343,1.3889,1.3964,1.4325,1.547,1.5574,D02288_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
452,D02288, Hydrocortisone valerate (USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4638,-3.3013,-2.9968,-2.975,-2.3756,-1.9872,1.3925,1.4222,1.4333,1.5435,1.5543,D02288_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
453,D02288, Hydrocortisone valerate (USP), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)CO)OC(=O)CCCC)C)O,446.57599999999996,3.5227,121.693,100.9,44,2,6,FZCHYNWYXKICIO-FZNHGJLXSA-N,C26H38O6,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)CO,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.3993,-3.3014,-3.0424,-2.9832,-2.3535,-1.9368,1.3635,1.4031,1.4219,1.4331,1.5551,D02288_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400003c30a005,1f3800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208028594992ee48d5cb7d71c,0,0,69,4,0,7,70,73,-10.05,-0.313,7,1.0,0.634880304,-,2.6837,-,2.6837,https://www.genome.jp/dbget-bin/www_bget?dr:D02288
454,D04467, Hydrocortisone hemisuccinate (USP), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.542,-4.4827,-4.4107,-3.3052,-3.03,-2.9762,1.7096,1.9898,2.0007,2.1782,2.383,D04467_A01AC03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
455,D04467, Hydrocortisone hemisuccinate (USP), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5707,-4.4193,-4.3926,-3.3049,-3.0106,-2.9791,1.5399,1.5526,1.5899,1.6279,2.3725,D04467_A07EA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
456,D04467, Hydrocortisone hemisuccinate (USP), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5769,-4.4475,-4.4422,-3.3056,-2.9838,-2.9779,1.5791,1.5949,1.6164,1.6324,2.3909,D04467_C05AA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
457,D04467, Hydrocortisone hemisuccinate (USP)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5604,-4.4208,-4.4191,-3.3128,-3.0032,-2.9808,1.5789,1.6283,1.7031,2.1101,2.3636,D04467_D07AA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
458,D04467, Hydrocortisone hemisuccinate (USP)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.6024,-4.4254,-4.3967,-3.3058,-3.0007,-2.9730000000000003,1.6089,1.6776,2.073,2.1777,2.378,D04467_D07XA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
459,D04467, Hydrocortisone hemisuccinate (USP), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.6047,-4.4001,-4.3863,-3.3046,-3.0264,-2.9749,1.6168,1.9933,2.031,2.1406,2.3774,D04467_H02AB09,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
460,D04467, Hydrocortisone hemisuccinate (USP)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5625,-4.4464,-4.4205,-3.305,-2.9975,-2.9808,1.5866,1.5927,1.7802,2.0782,2.3665,D04467_S01BA02,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
461,D04467, Hydrocortisone hemisuccinate (USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5471,-4.3957,-4.3804,-3.3048,-3.0061,-2.9756,1.5899,1.6259,1.7816,2.0787,2.3483,D04467_S01CB03,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
462,D04467, Hydrocortisone hemisuccinate (USP), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,462.533,2.1973,118.65700000000001,138.2,41,3,8,VWQWXZAWFPZJDA-CGVGKPPMSA-N,C25H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5551,-4.4442,-4.3851,-3.3059,-3.0076,-2.9763,1.615,1.7627,2.0606,2.1439,2.3621,D04467_S02BA01,00000002000002240a00000102020000000000800040400000000000000420001400000000800001800a000020000000012000000020411320010080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce48d4cb7d71c,0,0,65,5,0,7,67,70,-4.684,1.153,7,0.0,0.002292563,-,3.2077,-,3.2077,https://www.genome.jp/dbget-bin/www_bget?dr:D04467
463,D06876, Hydrocortisone aceponate (INN), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4936,-4.3975,-3.3034,-3.0204,-2.9828,-2.9771,1.4371,1.4781,1.5245,1.5343,1.54,D06876_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
464,D06876, Hydrocortisone aceponate (INN), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4302,-4.4294,-3.2859,-3.005,-2.9952,-2.975,1.4254,1.4898,1.5204,1.5406,1.5454,D06876_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
465,D06876, Hydrocortisone aceponate (INN), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4596,-4.4308,-3.3018,-3.0091,-2.9932,-2.9799,1.43,1.4425,1.4763,1.5307,1.5381,D06876_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
466,D06876, Hydrocortisone aceponate (INN)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4736,-4.4204,-3.2983,-3.0221,-2.9945,-2.9694,1.4094,1.4381,1.4638,1.4823,1.5401,D06876_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
467,D06876, Hydrocortisone aceponate (INN)," Corticosteroids, potent (group III)",D07AC16,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4511,-4.4183,-3.3021,-3.008,-2.997,-2.9723,1.3751,1.3825,1.4086,1.4346,1.5375,D06876_D07AC16,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
468,D06876, Hydrocortisone aceponate (INN)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4836,-4.479,-3.3031,-3.0028,-2.9844,-2.9721,1.4256,1.4286,1.4362,1.4478,1.5387,D06876_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
469,D06876, Hydrocortisone aceponate (INN), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4642,-4.4178,-3.3027,-2.9998,-2.9957,-2.9625,1.3958,1.4233,1.4402,1.5047,1.5356,D06876_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
470,D06876, Hydrocortisone aceponate (INN)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4605,-4.4239,-3.3034,-2.9949,-2.9931,-2.9706,1.3872,1.3940000000000001,1.4023,1.4378,1.5343,D06876_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
471,D06876, Hydrocortisone aceponate (INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.4839,-4.4129,-3.3019,-2.9804,-2.9721,-2.9614,1.3782,1.3786,1.4265,1.4666,1.5359,D06876_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
472,D06876, Hydrocortisone aceponate (INN), Corticosteroids,S02BA01,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)C)OC(=O)CC)C)O,460.56,3.3133,121.816,106.97,43,1,7,MFBMYAOAMQLLPK-FZNHGJLXSA-N,C26H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)C(=O)COC(=O)C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",-4.43,-4.3768,-3.2993,-3.0159,-3.0115,-2.9637,1.3684,1.3786,1.4311,1.5456,1.5481,D06876_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a001020000000012000000020411320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008594992ee4895cb7d71c,0,0,67,5,0,7,69,72,-10.062000000000001,-0.47200000000000003,7,0.0,0.5022125239999999,-,3.2191,-,3.2191,https://www.genome.jp/dbget-bin/www_bget?dr:D06876
473,D09796, Hydrocortisone caproate (JAN), Corticosteroids for local oral treatment,A01AC03,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.4557,-3.3085,-2.992,-2.9727,-2.3227,-1.9159,1.3953,1.4184,1.4362,1.4768,1.5401,D09796_A01AC03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
474,D09796, Hydrocortisone caproate (JAN), Corticosteroids acting locally,A07EA02,ALIMENTARY TRACT AND METABOLISM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.4685,-3.3027,-2.9939,-2.9748,-2.3221,-1.9301,1.4169999999999998,1.4293,1.4356,1.5404,1.6212,D09796_A07EA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
475,D09796, Hydrocortisone caproate (JAN), Corticosteroids,C05AA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.3589,-3.3027,-3.0289,-2.9765,-2.3344,-1.9316,1.4398,1.4462,1.4769999999999999,1.5443,1.6466,D09796_C05AA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
476,D09796, Hydrocortisone caproate (JAN)," Corticosteroids, weak (group I)",D07AA02,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.4561,-3.3080000000000003,-2.9852,-2.9682,-2.3148,-1.9081,1.3652,1.3655,1.4165,1.4377,1.5388,D09796_D07AA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
477,D09796, Hydrocortisone caproate (JAN)," Corticosteroids, weak, other combinations",D07XA01,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.3697,-3.3076,-3.0069999999999997,-2.9792,-2.3253,-1.9113,1.3688,1.3927,1.4233,1.4301,1.5330000000000001,D09796_D07XA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
478,D09796, Hydrocortisone caproate (JAN), Glucocorticoids,H02AB09,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.371,-3.3089999999999997,-3.0149,-2.9739,-2.322,-1.9215,1.3624,1.3796,1.4040000000000001,1.4274,1.5358,D09796_H02AB09,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
479,D09796, Hydrocortisone caproate (JAN)," Corticosteroids, plain",S01BA02,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.4391,-3.3081,-2.9741,-2.9726,-2.3294,-1.9247,1.3854,1.4073,1.4253,1.4333,1.5351,D09796_S01BA02,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
480,D09796, Hydrocortisone caproate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB03,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.4321,-3.3063,-2.9846,-2.9726,-2.3236,-1.9103,1.3973,1.4295,1.4447,1.4544,1.5374,D09796_S01CB03,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
481,D09796, Hydrocortisone caproate (JAN), Corticosteroids,S02BA01,SENSORY ORGANS,[C@@]12([C@H]([C@H]3[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)CC2)CC3)C)CC[C@@]1(C(=O)COC(=O)CCCCC)O)C,460.603,3.9128,126.5,100.9,46,2,6,XZSVYVIYKBHVMV-FOMYWIRZSA-N,C27H40O6,CCCCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",-4.3958,-3.3086,-3.0052,-2.9760000000000004,-2.327,-1.9232,1.3554,1.3855,1.4247,1.4409,1.5417,D09796_S02BA01,00000002000002240a00000100020000000000800040400000000000000420001400000000800001800a000020000000012000000020410320000080000082000810080800040000000080002880020400d000400000000000801001000000010204000080000000000000004000280000030100000100000000008140000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ee48d5cb7d71c,0,0,72,4,0,8,73,76,-10.229,-0.195,7,0.0,0.586797059,-,2.8301,-,2.8301,https://www.genome.jp/dbget-bin/www_bget?dr:D09796
482,D00095, Epinephrine (USP/INN), Other agents for local oral treatment,A01AD01,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7054,-5.6754,-4.4322,-4.3476,-2.8927,-2.2058,1.5637,1.5793,1.5864,1.781,1.9787,D00095_A01AD01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
483,D00095, Epinephrine (USP/INN), Local hemostatics,B02BC09,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7059,-5.6764,-4.4448,-4.3508,-2.8937,-2.2235,1.5662,1.5857,1.5863,1.7793,1.9848,D00095_B02BC09,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
484,D00095, Epinephrine (USP/INN), Adrenergic and dopaminergic agents,C01CA24,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.702000000000001,-5.6788,-4.4256,-4.3516,-2.8956,-2.201,1.5601,1.5730000000000002,1.5855,1.7825,1.9834,D00095_C01CA24,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
485,D00095, Epinephrine (USP/INN)," Sympathomimetics, plain",R01AA14,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7047,-5.6755,-4.4367,-4.3484,-2.8928,-2.2112,1.5626,1.5802,1.5861,1.7833,1.9819,D00095_R01AA14,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
486,D00095, Epinephrine (USP/INN), Alpha- and beta-adrenoreceptor agonists,R03AA01,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7059,-5.6786,-4.4321,-4.3508,-2.8981,-2.2054,1.5668,1.5816,1.5829,1.7802,1.9793,D00095_R03AA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
487,D00095, Epinephrine (USP/INN), Sympathomimetics in glaucoma therapy,S01EA01,SENSORY ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7053,-5.6753,-4.4434,-4.3507,-2.8915,-2.2218,1.5635,1.5830000000000002,1.5895,1.7804,1.9849,D00095_S01EA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.809000000000001,-4.17,1,,9.9159e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00095
488,D00996, Epinephrine hydrochloride (JAN), Other agents for local oral treatment,A01AD01,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7012,-5.6797,-4.4335,-4.3511,-2.8998,-2.2063,1.5614,1.5779,1.584,1.7812,1.9812,D00996_A01AD01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
489,D00996, Epinephrine hydrochloride (JAN), Local hemostatics,B02BC09,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.705,-5.6795,-4.4395,-4.3488,-2.8999,-2.2084,1.5629,1.5826,1.587,1.7798,1.9817,D00996_B02BC09,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
490,D00996, Epinephrine hydrochloride (JAN), Adrenergic and dopaminergic agents,C01CA24,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7057,-5.6762,-4.4432,-4.3509,-2.8935,-2.2212,1.5638,1.5842,1.5887,1.7798,1.9847,D00996_C01CA24,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
491,D00996, Epinephrine hydrochloride (JAN)," Sympathomimetics, plain",R01AA14,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7061,-5.6766,-4.4443,-4.3511,-2.8933,-2.2238,1.5659999999999998,1.5855,1.587,1.7794,1.9849,D00996_R01AA14,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
492,D00996, Epinephrine hydrochloride (JAN), Alpha- and beta-adrenoreceptor agonists,R03AA01,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7052,-5.6758,-4.4365,-4.3488,-2.8924,-2.2118,1.5624,1.5796,1.5869,1.7836,1.9823,D00996_R03AA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
493,D00996, Epinephrine hydrochloride (JAN), Sympathomimetics in glaucoma therapy,S01EA01,SENSORY ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7026,-5.6833,-4.4239999999999995,-4.3477,-2.9002,-2.1915,1.5624,1.5788,1.5801,1.7795,1.9797,D00996_S01EA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.808,-4.17,1,0.0,9.89123e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D00996
494,D02149, Epinephrine bitartrate (JAN/USP), Other agents for local oral treatment,A01AD01,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7014,-5.6829,-4.4317,-4.3487,-2.8972,-2.2012,1.5622,1.5814,1.5826,1.7799,1.982,D02149_A01AD01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
495,D02149, Epinephrine bitartrate (JAN/USP), Local hemostatics,B02BC09,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7044,-5.6761,-4.4365,-4.3489,-2.8935,-2.2116,1.5625,1.5796,1.5868,1.7834,1.9818,D02149_B02BC09,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
496,D02149, Epinephrine bitartrate (JAN/USP), Adrenergic and dopaminergic agents,C01CA24,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7021,-5.6826,-4.4301,-4.3486,-2.9005,-2.1965,1.5616,1.5809,1.5818,1.7806,1.9814,D02149_C01CA24,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
497,D02149, Epinephrine bitartrate (JAN/USP)," Sympathomimetics, plain",R01AA14,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7062,-5.6771,-4.4302,-4.3539,-2.8958,-2.2091,1.568,1.5782,1.5827,1.7797,1.9831,D02149_R01AA14,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
498,D02149, Epinephrine bitartrate (JAN/USP), Alpha- and beta-adrenoreceptor agonists,R03AA01,RESPIRATORY SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7009,-5.6788,-4.4253,-4.3506,-2.8969,-2.1998,1.5595,1.5725,1.5855,1.7832,1.9823,D02149_R03AA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
499,D02149, Epinephrine bitartrate (JAN/USP), Sympathomimetics in glaucoma therapy,S01EA01,SENSORY ORGANS,c1(ccc(c(c1)O)O)[C@H](C[NH2+]C)O,184.21200000000002,-0.6756,50.2892,77.3,17,4,3,UCTWMZQNUQWSLP-VIFPVBQESA-O,C9H14NO3+,C[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",-5.7052,-5.678,-4.4351,-4.3514,-2.8958,-2.2099,1.5638,1.5807,1.5836,1.7792,1.9839,D02149_S01EA01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000000008800800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,002840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a50880005400cc4e2f51f,0,6,21,0,0,3,27,27,-11.81,-4.169,1,,9.906529999999999e-07,-,0.1832,-,0.1832,https://www.genome.jp/dbget-bin/www_bget?dr:D02149
500,D07516, Benzydamine (INN), Other agents for local oral treatment,A01AD02,ALIMENTARY TRACT AND METABOLISM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-5.9776,-4.631,-4.6235,-4.6129,-2.6548,-2.3488,1.5535,1.5585,1.5930000000000002,1.618,1.6214,D07516_A01AD02,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.809000000000001,-4.069,0,0.0,0.009500603,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07516
501,D07516, Benzydamine (INN), Antiinflammatory products for vaginal administration,G02CC03,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0409,-4.6134,-4.6127,-4.5424,-2.698,-2.3465,1.4653,1.5025,1.5739,1.5802,1.597,D07516_G02CC03,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.809000000000001,-4.069,0,0.0,0.009500603,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07516
502,D07516, Benzydamine (INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX07,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0422,-4.6149,-4.6073,-4.5744,-2.6853,-2.3622,1.4664,1.4956,1.5709,1.5808,1.5887,D07516_M01AX07,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.809000000000001,-4.069,0,0.0,0.009500603,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07516
503,D07516, Benzydamine (INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA05,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-5.9658,-4.6271,-4.5977,-4.5906,-2.658,-2.3323,1.4736,1.506,1.5630000000000002,1.5793,1.5827,D07516_M02AA05,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.809000000000001,-4.069,0,0.0,0.009500603,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07516
504,D01410, Benzydamine hydrochloride (JAN/USAN), Other agents for local oral treatment,A01AD02,ALIMENTARY TRACT AND METABOLISM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0492,-4.6184,-4.5945,-4.5818,-2.6767,-2.3642,1.4731,1.4946,1.579,1.58,1.5822,D01410_A01AD02,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.811,-4.067,0,4.0,0.00949683,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D01410
505,D01410, Benzydamine hydrochloride (JAN/USAN), Antiinflammatory products for vaginal administration,G02CC03,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-5.9664,-4.6348,-4.6246,-4.5998,-2.6559,-2.3451,1.5441,1.5699,1.5885,1.5921,1.6441,D01410_G02CC03,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.811,-4.067,0,4.0,0.00949683,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D01410
506,D01410, Benzydamine hydrochloride (JAN/USAN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX07,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0129,-4.6219,-4.6174,-4.5766,-2.7031,-2.3609,1.4728,1.501,1.5679,1.5794,1.604,D01410_M01AX07,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.811,-4.067,0,4.0,0.00949683,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D01410
507,D01410, Benzydamine hydrochloride (JAN/USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA05,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0414,-4.6114,-4.6,-4.5504,-2.6703,-2.3505,1.474,1.4943,1.5619999999999998,1.5675,1.5833,D01410_M02AA05,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.811,-4.067,0,4.0,0.00949683,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D01410
508,D07517, Benzydamine salicylate, Other agents for local oral treatment,A01AD02,ALIMENTARY TRACT AND METABOLISM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-5.9842,-4.63,-4.6099,-4.5949,-2.6956,-2.3409999999999997,1.5445,1.581,1.6014,1.6036,1.744,D07517_A01AD02,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.812000000000001,-4.0680000000000005,0,0.0,0.009480141,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07517
509,D07517, Benzydamine salicylate, Antiinflammatory products for vaginal administration,G02CC03,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-5.9916,-4.6231,-4.5998,-4.5909,-2.6526,-2.3281,1.4802,1.4976,1.5583,1.5866,1.5893,D07517_G02CC03,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.812000000000001,-4.0680000000000005,0,0.0,0.009480141,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07517
510,D07517, Benzydamine salicylate," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX07,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0417,-4.6135,-4.6007,-4.5547,-2.6698,-2.3438,1.4719,1.4876,1.5585,1.5676,1.5803,D07517_M01AX07,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.812000000000001,-4.0680000000000005,0,0.0,0.009480141,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07517
511,D07517, Benzydamine salicylate," Antiinflammatory preparations, non-steroids for topical use",M02AA05,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCCC[NH+](C)C,310.413,1.9980000000000002,95.3557,31.49,26,1,3,CNBGNNVCVSKAQZ-UHFFFAOYSA-O,C19H24N3O+,C[NH+](CCCOc1nn(c2c1cccc2)Cc1ccccc1)C,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1",-6.0039,-4.6164,-4.6003,-4.5917,-2.679,-2.3333,1.5519999999999998,1.5716,1.5759999999999998,1.5934,1.6434,D07517_M02AA05,6042400a0000048008000600000200040000000000800000440000804008100010006083810880011880011c00000400000026000000e00000080002082020081c201c02010084410002c000065880000080014008002000c00800000002100000100000008000060000010240100c0000062100080110201806000204000004,0100000050f001,020042020400000000000000000004000000000000009800000000000000000000004600c02200,0000000000000900018636fa9979bd6b08635dbd1f,0,16,33,0,0,7,47,49,-10.812000000000001,-4.0680000000000005,0,0.0,0.009480141,+,0.5802,-,0.5802,https://www.genome.jp/dbget-bin/www_bget?dr:D07517
512,D00109, Aspirin (JP17/USP), Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4304,-4.3967,-4.2544,-1.6055,-1.5791,-1.3348,0.8303,1.1044,1.4472,1.4938,2.3326,D00109_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,,1.88761e-07,-,0.3547,-,0.3547,https://www.genome.jp/dbget-bin/www_bget?dr:D00109
513,D00109, Aspirin (JP17/USP), Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4275,-4.3902,-4.2725,-1.5951,-1.5756,-1.3355,0.8275,1.0901,1.4404,1.494,2.3264,D00109_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,,1.88761e-07,-,0.3547,-,0.3547,https://www.genome.jp/dbget-bin/www_bget?dr:D00109
514,D00109, Aspirin (JP17/USP), Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4293,-4.3949,-4.2696,-1.5783,-1.5751,-1.3355,0.8171,1.0833,1.4331,1.4569999999999999,2.3301,D00109_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,,1.88761e-07,-,0.3547,-,0.3547,https://www.genome.jp/dbget-bin/www_bget?dr:D00109
515,D05181, Aspirin aluminum (JP17), Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,C(=O)(O)c1c(OC(=O)C)cccc1,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.428,-4.3989,-4.2591,-1.5862,-1.5745,-1.3351,0.8208,1.08,1.4324,1.4694,2.3315,D05181_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.689,3.674,0,2.0,1.7552499999999998e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D05181
516,D05181, Aspirin aluminum (JP17), Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,C(=O)(O)c1c(OC(=O)C)cccc1,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4277,-4.4007,-4.256,-1.5868,-1.5743,-1.3351,0.8206,1.0835,1.4295,1.4793,2.3324,D05181_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.689,3.674,0,2.0,1.7552499999999998e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D05181
517,D05181, Aspirin aluminum (JP17), Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,C(=O)(O)c1c(OC(=O)C)cccc1,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4221,-4.4067,-4.2266,-2.4355,-2.1687,-1.5873,1.0419,1.8143,2.0522,2.0996,2.3089,D05181_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.689,3.674,0,2.0,1.7552499999999998e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D05181
518,D07579, Aspirin calcium salt, Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4267,-4.3888,-4.2728,-1.5764,-1.5655,-1.3322,0.8137,1.0792,1.4311,1.4375,2.3199,D07579_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,-2.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07579
519,D07579, Aspirin calcium salt, Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4249,-4.394,-4.2703,-1.5819,-1.5776,-1.3358,0.8178,1.0923,1.4398,1.4553,2.331,D07579_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,-2.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07579
520,D07579, Aspirin calcium salt, Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4264,-4.3918,-4.2728,-1.6005,-1.5779,-1.3358,0.8256,1.1098,1.4418,1.505,2.3289,D07579_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,-2.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07579
521,D07580, Aspirin DL-lysine (JAN), Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4262,-4.3943,-4.2553,-1.5771,-1.5755,-1.3338,0.8191,1.0817,1.4402,1.4435,2.3288,D07580_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.694,3.6710000000000003,0,1.0,1.88539e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07580
522,D07580, Aspirin DL-lysine (JAN), Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4205,-4.41,-4.2676,-1.8461,-1.5782,-1.3856,0.813,0.8542,0.9764,1.4406,2.3904,D07580_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.694,3.6710000000000003,0,1.0,1.88539e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07580
523,D07580, Aspirin DL-lysine (JAN), Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.427,-4.3952,-4.2694,-1.5736,-1.5683,-1.3356,0.8133,1.0756,1.4271,1.4467,2.3286,D07580_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.694,3.6710000000000003,0,1.0,1.88539e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07580
524,D07581, Aspirin magnesium salt, Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4242,-4.3966,-4.2731,-1.5817,-1.5749,-1.3363,0.8183,1.0891,1.4240000000000002,1.4857,2.3293,D07581_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88856e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07581
525,D07581, Aspirin magnesium salt, Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4312,-4.3946,-4.2729,-1.5928,-1.5767,-1.3361,0.8244,1.088,1.4346,1.483,2.3307,D07581_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88856e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07581
526,D07581, Aspirin magnesium salt, Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4285,-4.3927,-4.2561,-1.6127,-1.5793,-1.3354,0.8342,1.1058,1.4403,1.5344,2.331,D07581_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88856e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07581
527,D07582, Aspirin sodium, Other agents for local oral treatment,A01AD05,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4235,-4.3998,-4.2721,-1.8605,-1.5847,-1.3928,0.8348,0.9008,0.9639,1.4702,2.3925,D07582_A01AD05,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07582
528,D07582, Aspirin sodium, Platelet aggregation inhibitors excl. heparin,B01AC06,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4298,-4.3896,-4.2658,-1.6056,-1.577,-1.3359999999999999,0.8327,1.0915,1.4422,1.5085,2.3285,D07582_B01AC06,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07582
529,D07582, Aspirin sodium, Salicylic acid and derivatives,N02BA01,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4293,-4.3959,-4.2678,-1.5887,-1.5749,-1.3359999999999999,0.8219,1.0877,1.431,1.4822,2.3304,D07582_N02BA01,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6710000000000003,0,1.0,1.88777e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D07582
530,D02774, Adrenalone (USAN/INN), Other agents for local oral treatment,A01AD06,ALIMENTARY TRACT AND METABOLISM,c1(c(ccc(c1)C(=O)C[NH2+]C)O)O,182.196,-0.5263,49.5489,74.14,15,3,3,PZMVOUYYNKPMSI-UHFFFAOYSA-O,C9H12NO3+,C[NH2+]CC(=O)c1ccc(c(c1)O)O,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3/p+1",-5.6898,-5.6894,-4.8716,-4.4337,-2.8202,-2.2181,1.6214,1.7601,1.7616,1.8044,2.2571,D02774_A01AD06,000600000040008002000600000000040000000000001200000000800000000014004081000000000002221800000000000202000000000000000002000000000880002000000000000000000280000000a000400000200840080800000000000000000000000002000000800000000000060100010110200808004200000000,1500000406f001,000040010400010000000000000000000001000000030000000000000000000000000240c02a00,000000000000210080002a50080005400cc4e2f71f,0,6,18,1,0,3,25,25,-12.342,-4.385,0,,1.01342e-06,-,0.18899999999999997,-,0.18899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D02774
531,D02774, Adrenalone (USAN/INN), Local hemostatics,B02BC05,BLOOD AND BLOOD FORMING ORGANS,c1(c(ccc(c1)C(=O)C[NH2+]C)O)O,182.196,-0.5263,49.5489,74.14,15,3,3,PZMVOUYYNKPMSI-UHFFFAOYSA-O,C9H12NO3+,C[NH2+]CC(=O)c1ccc(c(c1)O)O,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3/p+1",-5.6934,-5.687,-4.8525,-4.4316,-2.8192,-2.2132,1.6068,1.7574,1.7615,1.8061,2.2491,D02774_B02BC05,000600000040008002000600000000040000000000001200000000800000000014004081000000000002221800000000000202000000000000000002000000000880002000000000000000000280000000a000400000200840080800000000000000000000000002000000800000000000060100010110200808004200000000,1500000406f001,000040010400010000000000000000000001000000030000000000000000000000000240c02a00,000000000000210080002a50080005400cc4e2f71f,0,6,18,1,0,3,25,25,-12.342,-4.385,0,,1.01342e-06,-,0.18899999999999997,-,0.18899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D02774
532,D07560, Adrenalone hydrochloride, Other agents for local oral treatment,A01AD06,ALIMENTARY TRACT AND METABOLISM,c1(c(ccc(c1)C(=O)C[NH2+]C)O)O,182.196,-0.5263,49.5489,74.14,15,3,3,PZMVOUYYNKPMSI-UHFFFAOYSA-O,C9H12NO3+,C[NH2+]CC(=O)c1ccc(c(c1)O)O,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3/p+1",-5.6894,-5.6858,-4.8625,-4.4403,-2.8207,-2.2298,1.6141,1.7593,1.7635,1.808,2.2594,D07560_A01AD06,000600000040008002000600000000040000000000001200000000800000000014004081000000000002221800000000000202000000000000000002000000000880002000000000000000000280000000a000400000200840080800000000000000000000000002000000800000000000060100010110200808004200000000,1500000406f001,000040010400010000000000000000000001000000030000000000000000000000000240c02a00,000000000000210080002a50080005400cc4e2f71f,0,6,18,1,0,3,25,25,-12.341,-4.388,0,0.0,1.01428e-06,-,0.18899999999999997,-,0.18899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D07560
533,D07560, Adrenalone hydrochloride, Local hemostatics,B02BC05,BLOOD AND BLOOD FORMING ORGANS,c1(c(ccc(c1)C(=O)C[NH2+]C)O)O,182.196,-0.5263,49.5489,74.14,15,3,3,PZMVOUYYNKPMSI-UHFFFAOYSA-O,C9H12NO3+,C[NH2+]CC(=O)c1ccc(c(c1)O)O,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3/p+1",-5.6886,-5.6878,-4.8813,-4.4374,-2.824,-2.2218,1.6245,1.7637,1.765,1.8033,2.262,D07560_B02BC05,000600000040008002000600000000040000000000001200000000800000000014004081000000000002221800000000000202000000000000000002000000000880002000000000000000000280000000a000400000200840080800000000000000000000000002000000800000000000060100010110200808004200000000,1500000406f001,000040010400010000000000000000000001000000030000000000000000000000000240c02a00,000000000000210080002a50080005400cc4e2f71f,0,6,18,1,0,3,25,25,-12.341,-4.388,0,0.0,1.01428e-06,-,0.18899999999999997,-,0.18899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D07560
534,D01828, Amlexanox (JP17/USAN/INN), Other agents for local oral treatment,A01AD07,ALIMENTARY TRACT AND METABOLISM,c1(c(cc2c(n1)oc1c(c2=O)cc(cc1)C(C)C)C(=O)O)N,298.293,3.3262,83.7287,106.42,18,2,6,SGRYPYWGNKJSDL-UHFFFAOYSA-N,C16H14N2O4,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",-5.0718,-5.0644,-4.3919,-4.2737,-3.7908,-3.3398,1.4783,1.7989,2.3185,2.3608,3.1408,D01828_A01AD07,00040080000014c00200860108204000000014189000008805000080500004081c0078800048a020688a060e000000c8000060008000200404400042000000000c000c005000020088006001008c004002b000402400000850080840204108020002004000040000604001800016040010020100004108000008a40002000000,0400000c00b023,05000008000000000000880000000001400300000000b100000000000000000000004640403800,00000000200010010112080913219145d4edf3fa1f,0,16,20,2,0,2,36,38,-5.2,1.9240000000000002,0,-1.0,0.000222933,+,0.7047,-,0.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D01828
535,D01828, Amlexanox (JP17/USAN/INN), Other systemic drugs for obstructive airway diseases,R03DX01,RESPIRATORY SYSTEM,c1(c(cc2c(n1)oc1c(c2=O)cc(cc1)C(C)C)C(=O)O)N,298.293,3.3262,83.7287,106.42,18,2,6,SGRYPYWGNKJSDL-UHFFFAOYSA-N,C16H14N2O4,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",-5.073,-5.0643,-4.3909,-4.2768,-3.7928,-3.3425,1.4802,1.8014,2.3174,2.3609999999999998,3.145,D01828_R03DX01,00040080000014c00200860108204000000014189000008805000080500004081c0078800048a020688a060e000000c8000060008000200404400042000000000c000c005000020088006001008c004002b000402400000850080840204108020002004000040000604001800016040010020100004108000008a40002000000,0400000c00b023,05000008000000000000880000000001400300000000b100000000000000000000004640403800,00000000200010010112080913219145d4edf3fa1f,0,16,20,2,0,2,36,38,-5.2,1.9240000000000002,0,-1.0,0.000222933,+,0.7047,-,0.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D01828
536,D01446, Magnesium carbonate (JP17/USP), Magnesium compounds,A02AA01,ALIMENTARY TRACT AND METABOLISM,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1079,-6.1079,-5.8858,-1.8079,-1.8078,-1.5615,0.9813,2.3632,2.3632,2.7796,3.4072,D01446_A02AA01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.364,16.424,0,2.0,0.0,-,1.0066,-,1.0066,https://www.genome.jp/dbget-bin/www_bget?dr:D01446
537,D01446, Magnesium carbonate (JP17/USP), Osmotically acting laxatives,A06AD01,ALIMENTARY TRACT AND METABOLISM,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1079,-6.1078,-5.8858,-1.8079,-1.8078,-1.5615,0.9813,2.3631,2.3632,2.7795,3.4072,D01446_A06AD01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.364,16.424,0,2.0,0.0,-,1.0066,-,1.0066,https://www.genome.jp/dbget-bin/www_bget?dr:D01446
538,D02862, Aluminum phosphate (USP), Aluminium compounds,A02AB03,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3526,-10.0064,-9.7162,-9.7162,-2.408,-2.3961,3.372,3.6087,3.6107,4.9638,4.967,D02862_A02AB03,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,0.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D02862
539,D00932, Calcium carbonate (USP), Calcium compounds,A02AC01,ALIMENTARY TRACT AND METABOLISM,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1079,-6.1077,-5.8856,-1.8079,-1.8078,-1.5615,0.9813,2.3631,2.3631,2.7795,3.4072,D00932_A02AC01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.365,16.425,0,-1.0,0.0,-,1.0427,-,1.0427,https://www.genome.jp/dbget-bin/www_bget?dr:D00932
540,D00932, Calcium carbonate (USP), Calcium,A12AA04,ALIMENTARY TRACT AND METABOLISM,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.108,-6.1079,-5.8858,-1.8078,-1.8078,-1.5615,0.9813,2.3631,2.3631,2.7797,3.4071,D00932_A12AA04,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.365,16.425,0,-1.0,0.0,-,1.0427,-,1.0427,https://www.genome.jp/dbget-bin/www_bget?dr:D00932
541,D02821, Almagate (USAN/INN)," Combinations and complexes of aluminium, calcium and magnesium compounds",A02AD03,ALIMENTARY TRACT AND METABOLISM,OC(=O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1227,-6.1006,-5.8926,-2.3338,-1.8459,-1.5801,1.2143,2.3334,2.373,2.8226,3.4205,D02821_A02AD03,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.363,16.422,0,0.0,0.0,-,0.8374,-,0.8374,https://www.genome.jp/dbget-bin/www_bget?dr:D02821
542,D00295, Cimetidine (JP17/USP/INN), H2-receptor antagonists,A02BA01,ALIMENTARY TRACT AND METABOLISM,C(SCCN/C(=[NH]/C#N)/NC)c1nc[nH]c1C,253.347,1.59338,70.1458,125.68,23,4,5,CYUWZZYTQRWIBI-UHFFFAOYSA-N,C10H17N6S,N#C[NH]=C(NCCSCc1nc[nH]c1C)NC,"InChI=1S/C10H17N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7,12-14H,3-5H2,1-2H3,(H,15,16)",-10.7042,-10.6883,-9.6209,-6.1605,-5.494,-5.3931,3.7848,3.7918,3.8714,3.9322,4.3335,D00295_A02BA01,0022010201000040000046001420000020020100004000420000000100004400000000080006202100000100020100008010004000000000000320020008802404801c001000020008003400054000000008004200802010024001020001000000200000040000000200000040000900100c3000004000210080004042000000,0000000000b111,0100010010000000000000000000000010400000000094000000000000000000000006c0403800,000000010005000001f0a696884ae80105a374ad13,0,5,27,1,1,7,34,34,-11.039000000000001,-5.982,0,,0.00037242,+,0.9064,-,0.9064,https://www.genome.jp/dbget-bin/www_bget?dr:D00295
543,D03503, Cimetidine hydrochloride (USP), H2-receptor antagonists,A02BA01,ALIMENTARY TRACT AND METABOLISM,C(SCCN/C(=[NH]/C#N)/NC)c1nc[nH]c1C,253.347,1.59338,70.1458,125.68,23,4,5,CYUWZZYTQRWIBI-UHFFFAOYSA-N,C10H17N6S,N#C[NH]=C(NCCSCc1nc[nH]c1C)NC,"InChI=1S/C10H17N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7,12-14H,3-5H2,1-2H3,(H,15,16)",-10.684000000000001,-10.6626,-9.6597,-6.2027,-5.4773,-5.4097,3.7901,3.8154,3.8837,3.9069,4.3463,D03503_A02BA01,0022010201000040000046001420000020020100004000420000000100004400000000080006202100000100020100008010004000000000000320020008802404801c001000020008003400054000000008004200802010024001020001000000200000040000000200000040000900100c3000004000210080004042000000,0000000000b111,0100010010000000000000000000000010400000000094000000000000000000000006c0403800,000000010005000001f0a696884ae80105a374ad13,0,5,27,1,1,7,34,34,-11.036,-5.984,0,-1.0,0.00037180199999999996,+,0.9064,-,0.9064,https://www.genome.jp/dbget-bin/www_bget?dr:D03503
544,D00422, Ranitidine (USAN/INN), H2-receptor antagonists,A02BA02,ALIMENTARY TRACT AND METABOLISM,c1(oc(cc1)CSCCN/C(=C/[N](=O)O)/NC)C[NH+](C)C,316.42,1.2383,85.6876,116.6,29,4,4,IDMXGDWCLTTYKF-UKTHLTGXSA-O,C13H24N4O3S+,CNC(=C[N](=O)O)NCCSCc1ccc(o1)C[NH+](C)C,"InChI=1S/C13H23N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3,(H,18,19)/p+1/b13-9+",-6.2076,-6.0564,-5.3037,-4.9477,-4.8945,-4.6435,1.9793,2.0698,2.1667,2.4837,2.5242,D00422_A02BA02,000201020420081000c006000001000020010888104010040002000020008400000048080102000000800108001500004231000800000080008d0022a0400004100100002000000008000440041c01c4801008402000200100400002004100140034340224000000000000000000000c000e1000082508201000204082004000,0100000000f101,00004102140000000000000000000000000000000000a000000000000000000000000640c07a00,0000900020149141705ab6f6ad48648a0f37deed1b,0,5,38,2,0,10,45,45,-10.432,-4.468,0,1.0,0.009601523,-,0.8737,-,0.8737,https://www.genome.jp/dbget-bin/www_bget?dr:D00422
545,D00673, Ranitidine hydrochloride (JP17/USP), H2-receptor antagonists,A02BA02,ALIMENTARY TRACT AND METABOLISM,c1(oc(cc1)CSCCN/C(=C/[N](=O)O)/NC)C[NH+](C)C,316.42,1.2383,85.6876,116.6,29,4,4,IDMXGDWCLTTYKF-UKTHLTGXSA-O,C13H24N4O3S+,CNC(=C[N](=O)O)NCCSCc1ccc(o1)C[NH+](C)C,"InChI=1S/C13H23N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3,(H,18,19)/p+1/b13-9+",-6.1814,-6.0589,-5.4586,-4.9209,-4.8864,-4.6282,1.9611,2.0585,2.1521,2.3917,2.5,D00673_A02BA02,000201020420081000c006000001000020010888104010040002000020008400000048080102000000800108001500004231000800000080008d0022a0400004100100002000000008000440041c01c4801008402000200100400002004100140034340224000000000000000000000c000e1000082508201000204082004000,0100000000f101,00004102140000000000000000000000000000000000a000000000000000000000000640c07a00,0000900020149141705ab6f6ad48648a0f37deed1b,0,5,38,2,0,10,45,45,-10.427999999999999,-4.467,0,0.0,0.009523808,-,0.8737,-,0.8737,https://www.genome.jp/dbget-bin/www_bget?dr:D00673
546,D00318, Famotidine (JP17/USP/INN), H2-receptor antagonists,A02BA03,ALIMENTARY TRACT AND METABOLISM,C(SCC/C(=[NH]/S(=O)(=O)N)/N)c1nc(sc1)[NH]=C(N)N,339.461,3.5424,83.705,260.73,27,6,9,BCRFKUZADCXWDN-UUASQNMZSA-N,C8H17N7O2S3,NC(=[NH]c1scc(n1)CSCCC(=[NH]S(=O)(=O)N)N)N,"InChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4,14-15H,1-3,9-11H2,(H2,12,16,17)/b15-6-",-15.2077,-12.4936,-12.4502,-11.6794,-11.6396,-10.7306,4.6567,4.8603,4.8795,5.2415,5.8606,D00318_A02BA03,6010110100000002202006040c00040054020200000020c00084100c00104c0010000100000a00208040801002000000040020011000000080073002000800050c00040000200304094004010804010000000452006a210003c001000000400008800218000104000c00000004020009400db000000800000002000002000300,0000000000b121,02000100100000000000800000000000004020000000d000000001000000000000000640403800,000000012944501a15b1ada6a1c2f009d7234c6d1b,0,5,28,4,0,7,37,37,-13.878,-7.265,0,1.0,1.2309e-06,+,2.3677,-,2.3677,https://www.genome.jp/dbget-bin/www_bget?dr:D00318
547,D00440, Nizatidine (JP17/USP/INN), H2-receptor antagonists,A02BA04,ALIMENTARY TRACT AND METABOLISM,C(SCCN/C(=C/[N](=O)O)/NC)c1nc(sc1)C[NH+](C)C,333.473,1.1018,89.0936,144.59,29,4,5,JOGWMCOTSXZPJL-IZZDOVSWSA-O,C12H23N5O2S2+,CNC(=C[N](=O)O)NCCSCc1csc(n1)C[NH+](C)C,"InChI=1S/C12H22N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3,(H,18,19)/p+1/b11-6+",-6.1565,-6.0497,-5.3874,-4.94,-4.8945,-4.6254,2.0737,2.145,2.4877,2.5694,2.5785,D00440_A02BA04,0022110204200000001006040402000024130a00004020000002100c00101402000081080002002080000180021500004330000110002000e0832022801000041401040000200200210004009404010080000852000a2100004001020000001409a40100a40004010600100004000000000c1010000800221000004002004200,0100000000f101,00004102140000000000000000000000000000000000d000000000000000000000000640c07a00,0000900028549140715ab7b6ad48e48b07375ced1b,0,5,37,2,0,10,44,44,-10.442,-4.515,0,1.0,0.015973708,-,1.3282,-,1.3282,https://www.genome.jp/dbget-bin/www_bget?dr:D00440
548,D07072, Niperotidine (INN), H2-receptor antagonists,A02BA05,ALIMENTARY TRACT AND METABOLISM,c1(oc(cc1)CSCCN/C(=C/[N](=O)O)/NCc1ccc2c(c1)OCO2)C[NH+](C)C,436.525,2.5374,116.238,135.06,35,4,6,FJYMNRAGNOZAHT-NDENLUEZSA-O,C20H28N4O5S+,C[NH+](Cc1ccc(o1)CSCCNC(=C[N](=O)O)NCc1ccc2c(c1)OCO2)C,"InChI=1S/C20H27N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3,(H,25,26)/p+1/b20-12-",-6.2192,-6.0296,-5.4112,-4.9552,-4.8902,-4.6326,1.9731,2.0778,2.1719,2.4927,2.5364,D07072_A02BA05,0002018204200c1000c0060000030001200108a810403204000200802000844000804c080102000000840108001704004233020840000880008d0022a0400004188120002100000108000460065c01c4809048402000204140480002004120140034340224000402002000000010000c000e1100082508201800204482004000,0100000050f101,00004102140080400000000000000000000000000000a000000000000000000000004640c07a00,0000900820149141f05ab6f6bd51e58e0fafdefd1f,0,11,47,2,0,12,58,60,-10.477,-4.4110000000000005,0,0.0,0.496398658,+,2.1225,-,2.1225,https://www.genome.jp/dbget-bin/www_bget?dr:D07072
549,D08494, Roxatidine (INN), H2-receptor antagonists,A02BA06,ALIMENTARY TRACT AND METABOLISM,N(CCCOc1cc(ccc1)C[NH+]1CCCCC1)C(=O)CO,307.408,2.0929,90.9862,63.0,31,3,4,BCCREUFCSIMJFS-UHFFFAOYSA-O,C17H27N2O3+,OCC(=O)NCCCOc1cccc(c1)C[NH+]1CCCCC1,"InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)/p+1",-6.0464,-5.8661,-4.5937,-4.5921,-4.303,-3.8546,1.8599,1.8751,1.9069,2.0349,2.0635,D08494_A02BA06,400200000000042001000600000300000000009000000000000000c00100000018805400800000030086101800000000010202000000880000000002000020100820080001040801800000000288800000c0015000002000c0080000000000000010002200000002000000028010000000060100080110200810004500000004,0500001c50f001,0218420204000000000080000a0000000000000000000000000000000000000000000600c02a00,00000000000021008004324e8b7031e30d67cf7f1f,0,6,43,1,0,9,49,50,-11.800999999999998,-3.92,0,1.0,0.009924759,-,0.7648,-,0.7648,https://www.genome.jp/dbget-bin/www_bget?dr:D08494
550,D01467, Roxatidine acetate hydrochloride (JP17/, H2-receptor antagonists,A02BA06,ALIMENTARY TRACT AND METABOLISM,N(CCCOc1cc(ccc1)C[NH+]1CCCCC1)C(=O)COC(=O)C,349.445,2.6637,100.723,69.07,34,2,5,SMTZFNFIKUPEJC-UHFFFAOYSA-O,C19H29N2O4+,O=C(COC(=O)C)NCCCOc1cccc(c1)C[NH+]1CCCCC1,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)/p+1",-6.0447,-5.8638,-4.5978,-4.5858,-4.4583,-4.3274,1.8172,1.867,1.8764,2.0318,2.1017,D01467_A02BA06,400200020000042001000600000300000100009000000000000000c0010400001c80540080000013008e101800000000010202000000880000000082000026100820080009140801800000000288800000c0015000002000c0080000000000000010002200000002000000028010000000060180080310200810004500000004,0500000070f005,0300420204000000000090000a0000000000000000000000000000000000000000000600c02a01,00000000000001008004324e8b7039e78d6bcfff1f,0,6,47,2,0,11,54,55,-11.817,-3.917,0,1.0,0.019047927,-,1.06,-,1.06,https://www.genome.jp/dbget-bin/www_bget?dr:D01467
551,D08495, Roxatidine acetate (BAN), H2-receptor antagonists,A02BA06,ALIMENTARY TRACT AND METABOLISM,N(CCCOc1cc(ccc1)C[NH+]1CCCCC1)C(=O)COC(=O)C,349.445,2.6637,100.723,69.07,34,2,5,SMTZFNFIKUPEJC-UHFFFAOYSA-O,C19H29N2O4+,O=C(COC(=O)C)NCCCOc1cccc(c1)C[NH+]1CCCCC1,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)/p+1",-6.0409,-5.8664,-4.5915,-4.5905,-4.4211,-4.3491,1.8219,1.8482,1.8884,1.9503,2.0338,D08495_A02BA06,400200020000042001000600000300000100009000000000000000c0010400001c80540080000013008e101800000000010202000000880000000082000026100820080009140801800000000288800000c0015000002000c0080000000000000010002200000002000000028010000000060180080310200810004500000004,0500000070f005,0300420204000000000090000a0000000000000000000000000000000000000000000600c02a01,00000000000001008004324e8b7039e78d6bcfff1f,0,6,47,2,0,11,54,55,-11.819,-3.9189999999999996,0,0.0,0.019042045,-,1.06,-,1.06,https://www.genome.jp/dbget-bin/www_bget?dr:D08495
552,D05699, Ranitidine bismuth citrate (USAN), H2-receptor antagonists,A02BA07,ALIMENTARY TRACT AND METABOLISM,c1(oc(cc1)CSCCN/C(=C/[N](=O)O)/NC)C[NH+](C)C,316.42,1.2383,85.6876,116.6,29,4,4,IDMXGDWCLTTYKF-UKTHLTGXSA-O,C13H24N4O3S+,CNC(=C[N](=O)O)NCCSCc1ccc(o1)C[NH+](C)C,"InChI=1S/C13H23N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3,(H,18,19)/p+1/b13-9+",-6.2121,-6.0535,-5.3885,-4.9322,-4.9018,-4.6351,1.9653,2.0495,2.1652,2.403,2.4807,D05699_A02BA07,000201020420081000c006000001000020010888104010040002000020008400000048080102000000800108001500004231000800000080008d0022a0400004100100002000000008000440041c01c4801008402000200100400002004100140034340224000000000000000000000c000e1000082508201000204082004000,0100000000f101,00004102140000000000000000000000000000000000a000000000000000000000000640c07a00,0000900020149141705ab6f6ad48648a0f37deed1b,0,5,38,2,0,10,45,45,-10.432,-4.467,0,1.0,9.01193e-05,-,0.8737,-,0.8737,https://www.genome.jp/dbget-bin/www_bget?dr:D05699
553,D01131, Lafutidine (JP17/INN), H2-receptor antagonists,A02BA08,ALIMENTARY TRACT AND METABOLISM,C1CC[NH+](CC1)Cc1cc(ncc1)OC/C=C\CNC(=O)C[S@@](=O)Cc1ccco1,432.556,4.0693,121.79,105.08,35,2,6,KMZQAVXSMUKBPD-FCRIZLRQSA-O,C22H30N3O4S+,O=C(CS(=O)Cc1ccco1)NCC=CCOc1nccc(c1)C[NH+]1CCCCC1,"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/p+1/b5-2-/t30-/m0/s1",-6.0471,-5.8769,-4.5858,-4.5823,-4.3045,-3.85,1.5763,1.6657,1.8477,1.8737,2.0353,D01131_A02BA08,300201060080103c01000600000300014001009810484804008800400050040018805c04010280200286001840300640013302081000288000050102284000340c001c00212500a180000540069c80c22080015024082441c4400002004302000014242004041024000100100010058800061008086518203888204502000004,0500000050f101,1200420204000000000080000a000400000000000000b000000100000000000000000600c33a05,00000000000005190505b68faf70b1eb8d6bcf7f1f,0,11,48,3,0,12,60,62,-10.232000000000001,-4.0760000000000005,0,1.0,0.020280957,+,1.2265,-,1.2265,https://www.genome.jp/dbget-bin/www_bget?dr:D01131
554,D00419, Misoprostol (JAN/USAN/INN), Prostaglandins,A02BB01,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/C[C@@](CCCC)(O)C)CCCCCCC(=O)OC,382.534,3.9536,109.12700000000001,83.83,43,2,5,OJLOPKGSLYJEMD-ULZKJYGBSA-N,C22H38O5,CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC)(O)C,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22-/m1/s1",-4.4623,-2.9976,-2.9857,-1.9178,-1.9137,-1.4159,0.8894,0.9531,1.0679,1.1346,1.3315,D00419_A02BB01,00000000000002240000008100020000000000800040400000000000000020001000000000800001000a0000000000000100000200204000000000000000820008000800040400000000800008800214009000400002000000801000000000000204000000000000000000000000080000010100000800000000000100000500,1400006c30a005,176800000000010000009000000000000000000000000000000000000000000000000000432805,00000000000000000200009784882ee48d5cb6d618,0,0,62,3,0,14,65,65,-9.856,0.727,4,,0.6339668039999999,-,1.7186,-,1.7186,https://www.genome.jp/dbget-bin/www_bget?dr:D00419
555,D00419, Misoprostol (JAN/USAN/INN), Prostaglandins,G02AD06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/C[C@@](CCCC)(O)C)CCCCCCC(=O)OC,382.534,3.9536,109.12700000000001,83.83,43,2,5,OJLOPKGSLYJEMD-ULZKJYGBSA-N,C22H38O5,CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC)(O)C,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22-/m1/s1",-4.4467,-3.0245,-2.9985,-1.9231,-1.9118,-1.4024,0.8911,0.8975,0.9498,1.1331,1.3178,D00419_G02AD06,00000000000002240000008100020000000000800040400000000000000020001000000000800001000a0000000000000100000200204000000000000000820008000800040400000000800008800214009000400002000000801000000000000204000000000000000000000000080000010100000800000000000100000500,1400006c30a005,176800000000010000009000000000000000000000000000000000000000000000000000432805,00000000000000000200009784882ee48d5cb6d618,0,0,62,3,0,14,65,65,-9.856,0.727,4,,0.6339668039999999,-,1.7186,-,1.7186,https://www.genome.jp/dbget-bin/www_bget?dr:D00419
556,D01891, Enprostil (JAN/USAN/INN), Prostaglandins,A02BB02,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](COc1ccccc1)O)CC=C=CCCC(=O)OC,400.465,2.6032,109.29899999999999,93.06,34,2,6,PTOJVMZPWPAXER-OFZQXGKDSA-N,C23H28O6,COC(=O)CCC=C=CCC1C(=O)CC(C1C=CC(COc1ccccc1)O)O,"InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2-,17+,19+,20+,22+/m0/s1",-4.421,-2.9971,-2.9955,-2.8676,-1.9206,-1.4213,1.1372,1.1777,1.2417,1.2424,1.3423,D01891_A02BB02,00000000000002240000028120020000000080804042400400040000001020001000000800a00005000a00080000040001800202102040000000000000000a022824080005042001000280000a808214009000400003000048881000004000000204002800000002000000020010080000030180080800202800008100000504,1400002c70b005,562802000000010000009000000000000000000000000000000000000000000000000200432805,000000000000000080000095841829e48d4ca6d71e,0,6,47,5,0,11,57,58,-9.283999999999999,0.26,4,,0.8752010459999999,-,1.3038,-,1.3038,https://www.genome.jp/dbget-bin/www_bget?dr:D01891
557,D00455, Omeprazole (JP17/USP/INN), Proton pump inhibitors,A02BC01,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c(n2)[S@](=O)Cc1c(c(c(cn1)C)OC)C)OC,345.416,3.7654,93.6992,96.31,24,1,5,SUBDBMMJDZJVOS-XMMPIXPASA-N,C17H19N3O3S,COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m1/s1",-1.4237,-1.3445,-1.2324,-1.2251,-1.0959999999999999,-1.0587,0.6075,0.7772,0.7877,1.0178,1.0787,D00455_A02BC01,e0802500000008402000c6000403400000000000480000480080019000202400000048010000802120aa00180200104200400600200828800c030002080000240c202e0241000281000064400618000000800042048000015d4801000001020408000000040108160040000060100400112250102a6500202880004402000000,00000000503101,010002000000000000000000000000000000000000009400000100000000000000004640402805,000000000040049c055185d23343896908f1fbdd1f,0,16,28,1,0,5,43,45,-8.927,-0.42100000000000004,0,,0.079573147,+,0.8926,-,0.8926,https://www.genome.jp/dbget-bin/www_bget?dr:D00455
558,D01207, Omeprazole sodium (USAN), Proton pump inhibitors,A02BC01,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-XMMPIXPASA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m1/s1",-6.4417,-6.4134,-4.5798,-4.5685,-2.4025,-2.3953,1.8788,1.8864,1.9956,2.0292,2.2805,D01207_A02BC01,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.302,-10.636,0,,0.001976169,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D01207
559,D05261, Omeprazole sodium injection (JAN), Proton pump inhibitors,A02BC01,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-XMMPIXPASA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m1/s1",-6.4344,-6.4256,-4.5941,-4.5847,-2.4027,-2.3930000000000002,1.8788,1.9359,1.9444,1.9889,2.0414,D05261_A02BC01,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.305,-10.640999999999998,0,1.0,0.001977525,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D05261
560,D05259, Omeprazole magnesium (USAN), Proton pump inhibitors,A02BC01,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-XMMPIXPASA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m1/s1",-6.4538,-6.4243,-4.5971,-4.5835,-2.3982,-2.396,1.8425,1.8806,1.9555,2.0373,2.1395,D05259_A02BC01,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.304,-10.64,0,0.0,0.001976508,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D05259
561,D05353, Pantoprazole (USAN/INN), Proton pump inhibitors,A02BC02,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c(n2)[S@](=O)Cc1c(c(ccn1)OC)OC)OC(F)F,383.37,3.75,90.3612,105.54,21,1,6,IQPSEEYGBUAQFF-AREMUKBSSA-N,C16H15F2N3O4S,COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)ccc(c2)OC(F)F,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)/t26-/m1/s1",-3.5297,-3.4648,-3.4638,-1.5015,-1.4151,-1.3498,0.7934,0.8087,0.8908,0.9921,1.0615,D05353_A02BC02,e4022500000000402800c60004030002000000c0480000400080019000242000008048011800802120aa00180200104200400600200828800c230002080000840ca08e0241000281000044480658000000804442048000014d4801000001020408002000040108060462000070100410012210102a6510602800004402000000,00000000503101,000102000000006000000000000000000000000000009400000100000000000000004640402805,000000000042049c855185d2334f816928e9fbdd1f,2,16,26,1,0,7,41,43,-9.259,-0.5710000000000001,0,1.0,0.076524444,-,1.2536,-,1.2536,https://www.genome.jp/dbget-bin/www_bget?dr:D05353
562,D02593, Pantoprazole sodium (USAN), Proton pump inhibitors,A02BC02,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@](=O)Cc1c(c(ccn1)OC)OC)OC(F)F,384.37800000000004,3.9642,91.3239,108.44,20,2,5,AXMVGLIJSNZHIZ-AREMUKBSSA-N,C16H16F2N3O4S,COc1c(OC)ccnc1CS(=O)c1[nH]c2c([nH]1)ccc(c2)OC(F)F,"InChI=1S/C16H16F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15,20-21H,8H2,1-2H3/t26-/m1/s1",-6.4992,-6.4093,-5.4654,-4.5898,-4.5883,-3.4743,1.7452,1.8648,1.8712,1.8727,1.9846,D02593_A02BC02,a40a270110000800080086000403000a000000d0400600400000008002242300108050028000802110a3013802011042090006204028f8a2042340025804a0840ca0cc020000028100008c49047800000080054204002000cd44010100000000082020001c0008000402000020101c10000f1110086510606800004d02000000,0000000070b101,028102000000006000000000000000000000000000009000000100000000000000004600402805,0000000000462498855185d6b34fa1e92de9fffd1f,2,6,44,1,0,7,49,51,-12.402000000000001,-10.89,0,0.0,0.001524688,-,1.2472,-,1.2472,https://www.genome.jp/dbget-bin/www_bget?dr:D02593
563,D00355, Lansoprazole (JP17/USP/INN), Proton pump inhibitors,A02BC03,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)[nH]c(n2)[S@](=O)Cc1c(c(ccn1)OCC(F)(F)F)C,369.361,4.3809,87.2392,87.08,18,1,4,MJIHNNLFOKEZEW-RUZDIDTESA-N,C16H14F3N3O2S,O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1",-3.7004,-3.6874,-3.6839,-2.1622,-1.4372,-1.4185,0.7789,0.7883,1.0105,1.0634,1.1192,D00355_A02BC03,e0062500000000402000c6000403400000000090480000480080019000002400000048000000802120aa00180200104200400400200c288004830002080000240c202e0240000281800064400018000000800042048000014d4801000001020408000001040100000040000060100400112650102a6510202880004402008004,00000000503101,010102000000000000000000000000000000000000009400000100000000000000004640602805,000000000042049c055185c233df896928e3e9dd1f,3,16,24,1,0,6,39,41,-9.262,-0.429,0,0.0,0.188774899,-,1.1246,-,1.1246,https://www.genome.jp/dbget-bin/www_bget?dr:D00355
564,D08463, Rabeprazole (INN), Proton pump inhibitors,A02BC04,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)[nH]c(n2)[S@](=O)Cc1c(c(ccn1)OCCCOC)C,359.44300000000004,3.8551,97.7472,96.31,26,1,5,YREYEVIYCVEVJK-RUZDIDTESA-N,C18H21N3O3S,COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1",-1.5875,-1.5845,-1.4164,-1.3422,-1.2453,-1.2264,0.6119,0.7786,0.7873,0.9768,1.064,D08463_A02BC04,e0002500000000402000c6000403400000000000480000480080019000002400100048020000802120aa001802001042004004002008288104830022080000240c202e0240000281800064400018000000800042048000014d4801010001020408000000040100000040000260100400112651102a6500202880004402000004,00000000703101,038002000000000000000000000000000000000000009400000100000000000000004640402805,000000000040049c0551a5d3335bad6908e3ffdd1f,0,16,31,1,0,8,46,48,-9.183,-0.28800000000000003,0,1.0,0.12029098,-,0.7627,-,0.7627,https://www.genome.jp/dbget-bin/www_bget?dr:D08463
565,D00724, Rabeprazole sodium (JP17/USAN), Proton pump inhibitors,A02BC04,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)[nH]c([nH]2)[S@](=O)Cc1c(c(ccn1)OCCCOC)C,360.45099999999996,4.0693,98.7099,99.21,25,2,4,RGTJZFHNLUQECB-RUZDIDTESA-N,C18H22N3O3S,COCCCOc1ccnc(c1C)CS(=O)c1[nH]c2c([nH]1)cccc2,"InChI=1S/C18H22N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9,20-21H,5,10-12H2,1-2H3/t25-/m1/s1",-6.4533,-6.4048,-4.599,-4.5677,-2.4055,-2.3772,1.6642,1.8452,1.8736,1.9377,2.0653,D00724_A02BC04,a002250110000800000086000403400800000010400400480000008000002700100050020000802110a001380201104209000400402828a304a34022180400240c206c020000028180002c40007800000080014204002000cd44010100000000082000001c0000000000000260100400100e1110086510206880004d02000004,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,00000000004424980551a5d7b35bade90de3fffd1f,0,6,49,1,0,8,54,56,-12.209000000000001,-11.105,0,,0.004359676,-,0.7626,-,0.7626,https://www.genome.jp/dbget-bin/www_bget?dr:D00724
566,D07917, Esomeprazole (INN), Proton pump inhibitors,A02BC05,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c(n2)[S@@](=O)Cc1c(c(c(cn1)C)OC)C)OC,345.416,3.7654,93.6992,96.31,24,1,5,SUBDBMMJDZJVOS-DEOSSOPVSA-N,C17H19N3O3S,COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",-1.4193,-1.3444,-1.2512,-1.2268,-1.0967,-1.0599,0.5984,0.7763,0.792,1.0256,1.0348,D07917_A02BC05,e0802500000008402000c6000403400000000000480000480080019000202400000048010000802120aa00180200104200400600200828800c030002080000240c202e0241000281000064400618000000800042048000015d4801000001020408000000040108160040000060100400112250102a6500202880004402000000,00000000503101,010002000000000000000000000000000000000000009400000100000000000000004640402805,000000000040049c055185d23343896908f1fbdd1f,0,16,28,1,0,5,43,45,-8.934,-0.419,0,0.0,0.080428943,+,0.8926,-,0.8926,https://www.genome.jp/dbget-bin/www_bget?dr:D07917
567,D01984, Esomeprazole magnesium (USAN), Proton pump inhibitors,A02BC05,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-DEOSSOPVSA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m0/s1",-6.4135,-6.4115,-4.5792,-4.553,-2.3933,-2.3921,1.7823,1.8564,1.8926,1.9882,2.062,D01984_A02BC05,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.3,-10.638,0,,0.0018428210000000001,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D01984
568,D04056, Esomeprazole sodium (USAN), Proton pump inhibitors,A02BC05,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-DEOSSOPVSA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m0/s1",-6.4123,-6.4054,-4.5779,-4.563,-2.3966,-2.392,1.8528,1.89,1.9813,2.0202,2.0204,D04056_A02BC05,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.305,-10.64,0,,0.002002553,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D04056
569,D09339, Esomeprazole potassium (USAN), Proton pump inhibitors,A02BC05,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-DEOSSOPVSA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m0/s1",-6.4425,-6.4145,-4.574,-4.5477,-2.4002,-2.3849,1.6903,1.8552,1.896,1.9666,2.0713,D09339_A02BC05,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.305,-10.64,0,1.0,0.0020040979999999997,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D09339
570,D10120, Esomeprazole strontium (USAN), Proton pump inhibitors,A02BC05,ALIMENTARY TRACT AND METABOLISM,c1c(cc2c(c1)[nH]c([nH]2)[S@@](=O)Cc1c(c(c(cn1)C)OC)C)OC,346.42400000000004,3.9796,94.6619,99.21,23,2,4,LKNKJNSMNMGWQR-DEOSSOPVSA-N,C17H20N3O3S,COc1ccc2c(c1)[nH]c([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,"InChI=1S/C17H20N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8,19-20H,9H2,1-4H3/t24-/m0/s1",-6.4248,-6.415,-4.5788,-4.5574,-2.399,-2.3928,1.8175,1.8532,1.892,2.0124,2.0316,D10120_A02BC05,a08a250110000800000086000403400800000010400600480000008002002700100050028000802110a0013802011042090004004028e8a2042340025804a0240c206c02000002810000ac41007800000080014204002000dd44010100010000082000001c0000100000000060101c00100f1110086510206880004d02000000,0000000070b101,038002000000000000000000000000000000000000009000000100000000000000004600402805,0000000000442498055185d6b34ba9e90df1fffd1f,0,6,46,1,0,5,51,53,-12.3,-10.638,0,0.0,0.002003039,+,0.8906,-,0.8906,https://www.genome.jp/dbget-bin/www_bget?dr:D10120
571,D08903, Dexlansoprazole (INN/USAN), Proton pump inhibitors,A02BC06,ALIMENTARY TRACT AND METABOLISM,c1c(c(c(nc1)C[S@@](=O)c1[nH]c2c(n1)cccc2)C)OCC(F)(F)F,369.361,4.3809,87.2392,87.08,18,1,4,MJIHNNLFOKEZEW-RUZDIDTESA-N,C16H14F3N3O2S,O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1",-3.7018,-3.687,-3.6824,-2.1563,-1.4156,-1.4124,0.7767,0.7892,0.9904,1.054,1.0608,D08903_A02BC06,e0062500000000402000c6000403400000000090480000480080019000002400000048000000802120aa00180200104200400400200c288004830002080000240c202e0240000281800064400018000000800042048000014d4801000001020408000001040100000040000060100400112650102a6510202880004402008004,00000000503101,010102000000000000000000000000000000000000009400000100000000000000004640602805,000000000042049c055185c233df896928e3e9dd1f,3,16,24,1,0,6,39,41,-9.288,-0.495,0,1.0,0.206150964,+,0.7701,-,0.7701,https://www.genome.jp/dbget-bin/www_bget?dr:D08903
572,D07615, Carbenoxolone (INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX01,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C)C)(C)C)OC(=O)CCC(=O)O,570.757,6.8283,157.977,117.97,55,2,7,OBZHEBDUNPOCJG-WBXJDKIVSA-N,C34H50O7,O=C(OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C)CCC(=O)O,"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1",-4.5675,-4.5674,-4.4534,-4.4192,-4.407,-3.3008,2.0180000000000002,2.1443,2.372,2.3797,2.3911,D07615_A02BX01,00000000000002240200000002020000000000800040400000000000000420001000000000800001800a0000200000000100000000204112200100000000820008100800000400000000800008800204009000400000000008801000000000010204000080000000000000000000280000030100000100000000000140000500,1400000c30a007,1f0000000000010000009800000000000001000000000000000000000000000000004040407805,0000000200000200020a000694892ce48d5cb7d61c,0,0,90,5,0,6,91,95,-3.4789999999999996,3.7460000000000004,9,1.0,4.67683e-06,+,6.0515,-,6.0515,https://www.genome.jp/dbget-bin/www_bget?dr:D07615
573,D01899, Carbenoxolone sodium (JAN/USAN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX01,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C)C)(C)C)OC(=O)CCC(=O)O,570.757,6.8283,157.977,117.97,55,2,7,OBZHEBDUNPOCJG-WBXJDKIVSA-N,C34H50O7,O=C(OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C)CCC(=O)O,"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1",-4.5627,-4.5591,-4.4568,-4.4428,-4.4362,-3.3006,2.0428,2.0921,2.3669,2.3737,2.3837,D01899_A02BX01,00000000000002240200000002020000000000800040400000000000000420001000000000800001800a0000200000000100000000204112200100000000820008100800000400000000800008800204009000400000000008801000000000010204000080000000000000000000280000030100000100000000000140000500,1400000c30a007,1f0000000000010000009800000000000001000000000000000000000000000000004040407805,0000000200000200020a000694892ce48d5cb7d61c,0,0,90,5,0,6,91,95,-3.4789999999999996,3.745,9,0.0,4.67409e-06,+,6.0201,-,6.0201,https://www.genome.jp/dbget-bin/www_bget?dr:D01899
574,D08389, Pirenzepine (INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX03,ALIMENTARY TRACT AND METABOLISM,c1(=O)c2c(n(c3c([nH]1)cccn3)C(=O)C[N@@H+]1CC[N@@H+](CC1)C)cccc2,353.418,1.6318,110.633,76.63,26,3,4,RMHMFHUVIITRHF-UHFFFAOYSA-P,C19H23N5O2++,C[NH+]1CC[NH+](CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)/p+2",-6.0162,-6.0114,-4.9438,-4.58,-4.5557,-4.5447,2.0111,2.3444,2.3618,2.6622,2.9976,D08389_A02BX03,800e000000400c4013004600000000080000040000800000000000c000000008000010826300802178860038000000c0000000000000600000c000000000030804000c00c00834000120e0010298000200a001400c10200de00800c00001200600000000008000006040000040001c0000070044804110000004800022000002,0500000000f001,000040020400000000008000320000004003000000009d00000000000000000000004640c03a04,000004002000210001d4325c9b61bdc38d634def1f,0,17,33,2,0,3,49,52,-14.151,-8.465,0,6.0,1.1496800000000001e-08,+,1.2424,-,1.2424,https://www.genome.jp/dbget-bin/www_bget?dr:D08389
575,D01297, Pirenzepine hydrochloride (USAN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX03,ALIMENTARY TRACT AND METABOLISM,c1(=O)c2c(n(c3c([nH]1)cccn3)C(=O)C[N@@H+]1CC[N@@H+](CC1)C)cccc2,353.418,1.6318,110.633,76.63,26,3,4,RMHMFHUVIITRHF-UHFFFAOYSA-P,C19H23N5O2++,C[NH+]1CC[NH+](CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)/p+2",-6.0159,-5.9936,-4.9595,-4.5811,-4.5711,-4.5466,2.0544,2.3468,2.3615,2.8892,3.0052,D01297_A02BX03,800e000000400c4013004600000000080000040000800000000000c000000008000010826300802178860038000000c0000000000000600000c000000000030804000c00c00834000120e0010298000200a001400c10200de00800c00001200600000000008000006040000040001c0000070044804110000004800022000002,0500000000f001,000040020400000000008000320000004003000000009d00000000000000000000004640c03a04,000004002000210001d4325c9b61bdc38d634def1f,0,17,33,2,0,3,49,52,-14.147,-8.465,0,,1.1521999999999999e-08,+,1.2424,-,1.2424,https://www.genome.jp/dbget-bin/www_bget?dr:D01297
576,D05276, Pirenzepine hydrochloride hydrate (JP17, Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX03,ALIMENTARY TRACT AND METABOLISM,c1(=O)c2c(n(c3c([nH]1)cccn3)C(=O)C[N@@H+]1CC[N@@H+](CC1)C)cccc2,353.418,1.6318,110.633,76.63,26,3,4,RMHMFHUVIITRHF-UHFFFAOYSA-P,C19H23N5O2++,C[NH+]1CC[NH+](CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)/p+2",-6.017,-6.0122,-4.9596,-4.5808,-4.5529,-4.5464,2.0265,2.3455,2.3612,2.658,2.9961,D05276_A02BX03,800e000000400c4013004600000000080000040000800000000000c000000008000010826300802178860038000000c0000000000000600000c000000000030804000c00c00834000120e0010298000200a001400c10200de00800c00001200600000000008000006040000040001c0000070044804110000004800022000002,0500000000f001,000040020400000000008000320000004003000000009d00000000000000000000004640c03a04,000004002000210001d4325c9b61bdc38d634def1f,0,17,33,2,0,3,49,52,-14.152000000000001,-8.467,0,1.0,1.1519700000000002e-08,+,1.2424,-,1.2424,https://www.genome.jp/dbget-bin/www_bget?dr:D05276
577,D00177, Methylmethionine sulfonium chloride (JA, Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX04,ALIMENTARY TRACT AND METABOLISM,[C@H](CC[S](C)C)(C(=O)O)[NH3+],165.25400000000002,-0.3999,45.3409,90.24,17,2,2,RTMSGWPTDBXTFW-YFKPBYRVSA-O,C6H15NO2S+,[NH3+]C(C(=O)O)CC[S](C)C,"InChI=1S/C6H14NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/p+1/t5-/m0/s1",-5.3995,-5.3567,-5.3505,-4.621,-4.5336,-4.3598,1.7943,2.1521,2.3536,2.3604,2.6521,D00177_A02BX04,00000101000000000000040000000000000000000000000000000000000000001000000000030003000a0010000000000100000000004000000000000000000408000800000000000000040000800104003008400000000000400000000000840000000000000000002000020000000040041000000000000000000000000000,0500000c00e102,0200c0000400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021100002a05680402c0404045cff09,0,0,23,1,0,4,25,24,-8.785,-2.762,1,0.0,,-,0.5155,-,0.5155,https://www.genome.jp/dbget-bin/www_bget?dr:D00177
578,D07587, Bismuth subcitrate, Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX05,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5861,-4.571000000000001,-4.5572,-4.4427,-4.4289,-4.4237,2.3684,2.3758,2.4155,2.4462,2.4832,D07587_A02BX05,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.367,13.798,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D07587
579,D09739, Bismuth subcitrate potassium (USAN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX05,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6095,-4.5513,-4.5484,-4.4531,-4.4375,-4.4059,2.3705,2.3751,2.3777,2.3854,2.4504,D09739_A02BX05,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.798,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D09739
580,D01818, Proglumide (JP17/USAN/INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX06,ALIMENTARY TRACT AND METABOLISM,CCCN(C(=O)[C@H](CCC(=O)O)NC(=O)c1ccccc1)CCC,334.41,2.6893,92.376,86.71,31,2,6,DGMKFQYCZXERLX-HNNXBMFYSA-N,C18H26N2O4,CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC,"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)/t15-/m0/s1",-4.5839,-4.3737,-4.184,-3.8414,-3.8174,-3.7710000000000004,2.1511,2.1531,2.3427,2.3773,2.5443,D01818_A02BX06,002a8000004004a001000600000100080000009000000000000000c0000000001c00500201000001008e063800000000010200000000400000000002000000000800080000040000002000013288000600b0014000002000c0080300000000000810002200000000000000000000180000060104000110000038000100800300,0400000c00b003,0300000000000000000088001a0000000001000000000000000000000000000000000240402804,00000000000000000040304e886836868d2e5eff1f,0,6,41,3,0,12,50,50,-4.164,1.7619999999999998,1,,0.000142422,-,1.1453,-,1.1453,https://www.genome.jp/dbget-bin/www_bget?dr:D01818
581,D01529, Gefarnate (JP17/INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX07,ALIMENTARY TRACT AND METABOLISM,C(=CCC/C(=C/COC(=O)CC/C=C(\C)/CC/C=C(/CCC=C(C)C)\C)/C)(C)C,400.63699999999994,8.4217,130.81799999999998,26.3,46,0,2,ZPACYDRSPFRDHO-ROBAGEODSA-N,C27H44O2,CC(=CCCC(=O)OCC=C(CCC=C(C)C)C)CCC=C(CCC=C(C)C)C,"InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+",-4.5446,-3.0180000000000002,-1.8230000000000002,-1.224,-1.1673,-0.8919,0.8507,0.8511,0.8515,0.8523,1.565,D01529_A02BX07,10008000000000040000008000020000000000800040400000040000001420001000000000800001000a0000200000000120000210004020000000000000020008100800000400000000000000800204009040400000004000001000000000000204000800000002000800000000110000030180000000000000008100000400,04000000302004,130000000000000000009000000000000000000000000000000000000000000000000000402801,0000000000000200000a000004182ca4091014d708,0,0,66,6,0,15,73,72,-9.291,0.9740000000000001,0,0.0,,-,2.8751,-,2.8751,https://www.genome.jp/dbget-bin/www_bget?dr:D01529
582,D07075, Zolimidine (INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX10,ALIMENTARY TRACT AND METABOLISM,c1ccn2c(c1)nc(c2)c1ccc(cc1)S(=O)(=O)C,272.322,3.4856,73.722,59.82,15,0,4,VSLIUWLPFRVCDL-UHFFFAOYSA-N,C14H12N2O2S,CS(=O)(=O)c1ccc(cc1)c1nc2n(c1)cccc2,"InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3",-7.7721,-7.7634,-1.4268,-1.2178,-1.058,-1.0218,0.7325,0.8957,0.8971,1.0282,1.0831,D07075_A02BX10,a000010000080440000442000440010060000000008200080000088001000400090140080020802120800008000000c00020404000002004002000020000020c04000c824000268000009100000800020088006004a0000140080010000100000c00080000800000084000046010040010029110004102000012800002800000,00000000003101,000000000000000000000000000000000000000000009800800000000000000000004640402801,00000000200044be055195903281800b822109c81f,0,16,15,2,0,2,31,33,-9.064,-1.127,0,1.0,0.107256807,+,0.5856,-,0.5856,https://www.genome.jp/dbget-bin/www_bget?dr:D07075
583,D01306, Troxipide (JP17/INN), Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD),A02BX11,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(c(c1)OC)OC)OC)C(=O)N[C@H]1C[NH2+]CCC1,295.35400000000004,2.1281,83.7076,73.4,28,2,5,YSIITVVESCNIPR-LLVKDONJSA-O,C15H23N2O4+,COc1cc(cc(c1OC)OC)C(=O)NC1CCC[NH2+]C1,"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)/p+1/t11-/m1/s1",-5.7108,-5.6211,-4.4308,-4.4,-4.1408,-3.8067,1.5876,1.6041,1.7809,2.6227,2.9886,D01306_A02BX11,00020000000004a009000600000300080000009000002200000000c0000000001c804402010000000086063800000000010a020000000800040000020000000008800020014400010020000002c800000080035000002000c0080100000020000810002200000442000000000010000000060104090110200838004501000000,0500000050f001,0200420104000000000080000a0000000001000000000000000000000000000000000640c02a04,000000000000210080402a1f8a6031e115fbf7fb1f,0,6,38,1,0,6,44,45,-11.43,-4.0280000000000005,1,,0.000543366,+,0.69,-,0.69,https://www.genome.jp/dbget-bin/www_bget?dr:D01306
584,D08325, Oxyphencyclimine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA01,ALIMENTARY TRACT AND METABOLISM,C1CN(C(=[NH]C1)COC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)C,345.45599999999996,2.3194,106.785,73.62,34,2,4,HTLZNICPZHAWEQ-HXUWFJFHSA-N,C20H29N2O3,CN1CCC[NH]=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O,"InChI=1S/C20H29N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,21,24H,3,6-8,11-15H2,1H3/t20-/m1/s1",-5.4137,-5.207999999999999,-5.0193,-4.3928,-3.9757,-3.9655,1.8896,1.9467,2.2162,2.3828,2.9155,D08325_A03AA01,0006008100200240120006101202040a210000000000014000000080000400101001400800010017200a003820010100010200002020500600001002000886180810190008100c400820a0000a80001500d000601100301843090a00000b8100410000000000011000400100c000080000070180020330000004000140000100,0400004c30b005,064840010000000000009000000000000000000000000000000000000000000000000600402004,000000002000000082b432568ad8eca70527efff1f,0,6,48,2,0,6,54,56,-12.273,-4.646,1,0.0,0.018920984,-,1.2476,-,1.2476,https://www.genome.jp/dbget-bin/www_bget?dr:D08325
585,D01006, Oxyphencyclimine hydrochloride (JAN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA01,ALIMENTARY TRACT AND METABOLISM,C1CN(C(=[NH]C1)COC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)C,345.45599999999996,2.3194,106.785,73.62,34,2,4,HTLZNICPZHAWEQ-HXUWFJFHSA-N,C20H29N2O3,CN1CCC[NH]=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O,"InChI=1S/C20H29N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,21,24H,3,6-8,11-15H2,1H3/t20-/m1/s1",-5.4149,-5.2011,-5.0487,-4.3708,-3.9715,-3.9655,1.875,1.943,2.0141,2.2183,2.8998,D01006_A03AA01,0006008100200240120006101202040a210000000000014000000080000400101001400800010017200a003820010100010200002020500600001002000886180810190008100c400820a0000a80001500d000601100301843090a00000b8100410000000000011000400100c000080000070180020330000004000140000100,0400004c30b005,064840010000000000009000000000000000000000000000000000000000000000000600402004,000000002000000082b432568ad8eca70527efff1f,0,6,48,2,0,6,54,56,-12.272,-4.644,1,2.0,0.018611683,-,1.2476,-,1.2476,https://www.genome.jp/dbget-bin/www_bget?dr:D01006
586,D07076, Camylofin (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA03,ALIMENTARY TRACT AND METABOLISM,c1ccccc1[C@@H](C(=O)OCCC(C)C)[NH2+]CC[NH+](CC)CC,322.485,0.8051,98.5901,47.35,36,2,2,RYOOHIUJEJZCFT-SFHVURJKSA-P,C19H34N2O2++,CC[NH+](CC[NH2+]C(c1ccccc1)C(=O)OCCC(C)C)CC,"InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3/p+2/t18-/m0/s1",-6.0168,-5.9623,-5.6898,-5.6788,-4.513,-4.5092,2.2053,2.2077,2.3486,2.6026,3.1779,D07076_A03AA03,000600000060040002000600000300080100008000000000000000c0000400101000400200000013008a002820000100010000000000400400000002000002180810080008141440012000000288000300b00040000020084008090000000000401000020000000000000000c000000000070184000100000000000040000000,0500000030f005,070040030400000000009000000000000000000000000000000000000000000000000200c02a04,000000000000210000423a4488582e260d325cff1f,0,6,50,1,0,12,57,57,-15.788,-7.989,1,0.0,2.4398900000000003e-07,-,0.6438,-,0.6438,https://www.genome.jp/dbget-bin/www_bget?dr:D07076
587,D08160, Mebeverine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA04,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(cc1)C(=O)OCCCC[N@@H+]([C@H](Cc1ccc(cc1)OC)C)CC)OC)OC,430.55699999999996,3.1854,124.294,58.43,41,1,5,VYVKHNNGDFVQGA-IBGZPJMESA-O,C25H36NO5+,COc1ccc(cc1)CC([NH+](CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3/p+1/t19-/m0/s1",-6.0159,-4.5394,-4.4852,-4.4572,-4.1746,-2.9116,1.3977,1.4240000000000002,1.5356,1.5719,1.5874,D08160_A03AA04,002e0002000000c00a000600000200040000001000025a0000200080000400001400408100000001200a2218200100000102020000004800000000020000020008900822054000010000010002c000000080004000003008c8080800800900000000002000000402004000001010100000070100090110200808004800000000,0500000070f005,030042020400000000009000000000000001000000000000000000000000000000000240c02204,00000000000001008000321688582fe609daffff1f,0,12,55,1,0,14,67,68,-10.883,-3.819,2,0.0,0.21800279600000003,+,1.4425,-,1.4425,https://www.genome.jp/dbget-bin/www_bget?dr:D08160
588,D04868, Mebeverine hydrochloride (USAN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA04,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(cc1)C(=O)OCCCC[N@@H+]([C@H](Cc1ccc(cc1)OC)C)CC)OC)OC,430.55699999999996,3.1854,124.294,58.43,41,1,5,VYVKHNNGDFVQGA-IBGZPJMESA-O,C25H36NO5+,COc1ccc(cc1)CC([NH+](CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3/p+1/t19-/m0/s1",-6.0257,-4.5797,-4.4776,-4.4577,-4.3248,-2.8671,1.3973,1.4228,1.5391,1.5884,1.6054,D04868_A03AA04,002e0002000000c00a000600000200040000001000025a0000200080000400001400408100000001200a2218200100000102020000004800000000020000020008900822054000010000010002c000000080004000003008c8080800800900000000002000000402004000001010100000070100090110200808004800000000,0500000070f005,030042020400000000009000000000000001000000000000000000000000000000000240c02204,00000000000001008000321688582fe609daffff1f,0,12,55,1,0,14,67,68,-10.880999999999998,-3.8169999999999997,2,0.0,0.217905149,+,1.4425,-,1.4425,https://www.genome.jp/dbget-bin/www_bget?dr:D04868
589,D08639, Trimebutine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA05,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(c(c1)OC)OC)OC)C(=O)OC[C@]([NH+](C)C)(c1ccccc1)CC,388.477,2.3192,109.756,58.43,35,1,5,LORDFXWUHHSAQU-QFIPXVFZSA-O,C22H30NO5+,CCC(c1ccccc1)([NH+](C)C)COC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3/p+1/t22-/m0/s1",-6.0462,-5.4946,-4.6122,-4.5772,-4.1779,-2.9137,1.663,1.7333,1.7854,1.9765,2.0488,D08639_A03AA05,00060002000004c00a000600000300000000008000004a0000200080000400001400400000000013208a021820010100010a0200000048040400000200000608089008220d5004010000010002c8000000800040001030084808080000090000401000020000044200400000d010000000070180090310200808004801000000,0500000070f005,030042020400000000009000000000000001000000000000000000000000000000000240c02204,00000000000001008202305180d00b6600d8fbff1f,0,12,46,1,0,10,58,59,-11.407,-4.046,1,1.0,0.023276473,+,0.8337,-,0.8337,https://www.genome.jp/dbget-bin/www_bget?dr:D08639
590,D01500, Trimebutine maleate (JP17)," Synthetic anticholinergics, esters with tertiary amino group",A03AA05,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(c(c1)OC)OC)OC)C(=O)OC[C@]([NH+](C)C)(c1ccccc1)CC,388.477,2.3192,109.756,58.43,35,1,5,LORDFXWUHHSAQU-QFIPXVFZSA-O,C22H30NO5+,CCC(c1ccccc1)([NH+](C)C)COC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3/p+1/t22-/m0/s1",-6.0662,-5.5774,-4.5898,-4.5883,-4.3278,-2.855,1.6835,1.7572,1.7844,1.913,1.9928,D01500_A03AA05,00060002000004c00a000600000300000000008000004a0000200080000400001400400000000013208a021820010100010a0200000048040400000200000608089008220d5004010000010002c8000000800040001030084808080000090000401000020000044200400000d010000000070180090310200808004801000000,0500000070f005,030042020400000000009000000000000001000000000000000000000000000000000240c02204,00000000000001008202305180d00b6600d8fbff1f,0,12,46,1,0,10,58,59,-11.402000000000001,-4.046,1,,0.023289176,+,0.8337,-,0.8337,https://www.genome.jp/dbget-bin/www_bget?dr:D01500
591,D07078, Rociverine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA06,ALIMENTARY TRACT AND METABOLISM,C1CCC[C@@]([C@H]1C(=O)O[C@@H](C[NH+](CC)CC)C)(C1CCCCC1)O,340.52099999999996,2.3444,100.665,50.97,41,2,3,XPYLKZZOBVLVHB-POAQFYNOSA-O,C20H38NO3+,CC[NH+](CC(OC(=O)C1CCCCC1(O)C1CCCCC1)C)CC,"InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/p+1/t16-,18-,20+/m1/s1",-6.047999999999999,-4.5512,-4.5455,-4.5111,-4.4619,-2.99,1.5675,1.5866,1.5869,1.6285,1.8152,D07078_A03AA06,00020000000002000000040000020000010000000000000000000000000400101000000000000013000a001020000000010200000020400300000000000086100810080008100000000080000a80001400900040000020000000000100000000000000000000000000000000c000080000070180000210000000000100000100,0500004c30e005,074840020400000000009000000000000000000000000000000000000000000000000000c02a05,00000000000001200200324788882ee60d56fff71d,0,0,62,1,0,8,62,63,-12.672,-3.8960000000000004,3,-1.0,0.033879968999999996,-,1.1072,-,1.1072,https://www.genome.jp/dbget-bin/www_bget?dr:D07078
592,D07820, Dicycloverine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA07,ALIMENTARY TRACT AND METABOLISM,C(=O)(OCC[NH+](CC)CC)C1(C2CCCCC2)CCCCC1,310.495,2.9851,94.3977,30.74,38,1,2,CURUTKGFNZGFSE-UHFFFAOYSA-O,C19H36NO2+,CC[NH+](CCOC(=O)C1(CCCCC1)C1CCCCC1)CC,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3/p+1",-6.0361,-4.5805,-4.578,-4.5773,-4.3587,-3.0024,1.5612,1.5903,1.5919999999999999,1.6015,1.61,D07820_A03AA07,00020000000002000000040000020000010000000000000000000000000400101000000000000013000a000020000000010000000020400200000000000086100810080008100000000080000a800004009000400000200000000000000000000000000000000000000000008000080000070180000200000000000100000100,0500000030e005,0f0040020400000000009000000000000000000000000000000000000000000000000000c02200,00000000000001200200324088d82aa609025df71d,0,0,58,1,0,8,58,59,-12.823,-4.075,0,1.0,0.07259374099999999,-,1.3933,-,1.3933,https://www.genome.jp/dbget-bin/www_bget?dr:D07820
593,D00717, Dicyclomine hydrochloride (JAN/USP)," Synthetic anticholinergics, esters with tertiary amino group",A03AA07,ALIMENTARY TRACT AND METABOLISM,C(=O)(OCC[NH+](CC)CC)C1(C2CCCCC2)CCCCC1,310.495,2.9851,94.3977,30.74,38,1,2,CURUTKGFNZGFSE-UHFFFAOYSA-O,C19H36NO2+,CC[NH+](CCOC(=O)C1(CCCCC1)C1CCCCC1)CC,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3/p+1",-6.0424,-4.5765,-4.5578,-4.55,-4.4489,-2.9760000000000004,1.554,1.5709,1.5862,1.5915,1.5932,D00717_A03AA07,00020000000002000000040000020000010000000000000000000000000400101000000000000013000a000020000000010000000020400200000000000086100810080008100000000080000a800004009000400000200000000000000000000000000000000000000000008000080000070180000200000000000100000100,0500000030e005,0f0040020400000000009000000000000000000000000000000000000000000000000000c02200,00000000000001200200324088d82aa609025df71d,0,0,58,1,0,8,58,59,-12.767999999999999,-4.0969999999999995,0,0.0,0.072507978,-,1.3933,-,1.3933,https://www.genome.jp/dbget-bin/www_bget?dr:D00717
594,D07821, Dihexyverine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA08,ALIMENTARY TRACT AND METABOLISM,C(=O)(OCC[NH+]1CCCCC1)C1(C2CCCCC2)CCCCC1,322.505,4.6984,100.711,30.74,38,1,2,MNSQDVCVWNXBFQ-UHFFFAOYSA-O,C20H36NO2+,O=C(C1(CCCCC1)C1CCCCC1)OCC[NH+]1CCCCC1,"InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2/p+1",-6.0367,-4.5917,-4.5753,-4.5346,-4.4358,-2.9746,1.5559,1.5698,1.5764,1.5819,1.8565,D07821_A03AA08,00020000000002000000040000020000010000100000000000000000000400101000100000000013000a001020000000010200000020400200000000000086100810080008100800000080000a800004009001500000200080000000000000000000002000000000000000008000080000070180000210000000000100000100,0500000030e005,0e0040020400000000009000000000000000000000000000000000000000000000000400c02200,0000000000000120020432468ad020a709034d771d,0,0,60,1,0,6,59,61,-12.765,-3.989,0,1.0,0.001699182,-,2.5116,-,2.5116,https://www.genome.jp/dbget-bin/www_bget?dr:D07821
595,D03824, Dihexyverine hydrochloride (USAN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA08,ALIMENTARY TRACT AND METABOLISM,C(=O)(OCC[NH+]1CCCCC1)C1(C2CCCCC2)CCCCC1,322.505,4.6984,100.711,30.74,38,1,2,MNSQDVCVWNXBFQ-UHFFFAOYSA-O,C20H36NO2+,O=C(C1(CCCCC1)C1CCCCC1)OCC[NH+]1CCCCC1,"InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2/p+1",-6.0394,-4.593,-4.5688,-4.5269,-4.3855,-3.0011,1.5576,1.5733,1.5746,1.5763,1.8747,D03824_A03AA08,00020000000002000000040000020000010000100000000000000000000400101000100000000013000a001020000000010200000020400200000000000086100810080008100800000080000a800004009001500000200080000000000000000000002000000000000000008000080000070180000210000000000100000100,0500000030e005,0e0040020400000000009000000000000000000000000000000000000000000000000400c02200,0000000000000120020432468ad020a709034d771d,0,0,60,1,0,6,59,61,-12.765999999999998,-3.989,0,0.0,0.001699449,-,2.5116,-,2.5116,https://www.genome.jp/dbget-bin/www_bget?dr:D03824
596,D07079, Difemerine (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA09,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)OCC(C)([NH+](C)C)C)O,328.425,1.3888,96.0655,50.97,29,2,3,GUONSMXZEYTWML-UHFFFAOYSA-O,C20H26NO3+,O=C(C(c1ccccc1)(c1ccccc1)O)OCC([NH+](C)C)(C)C,"InChI=1S/C20H25NO3/c1-19(2,21(3)4)15-24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3/p+1",-6.0248,-4.5799,-4.5772,-4.4611,-4.4294,-4.2057,1.7032,1.85,1.9823,2.0149,2.4111,D07079_A03AA09,000600000020004002000600800200002000004000000000000000a0000400101000400800000017200a000820000100000000000000000400000002000006080880090008100440000000000080000100d00040000020084008080000010000400000010000000000400000c000000000060180000300000000000040000000,0500004c30f005,014840020400000000009000000000000000000000000000000000000000000000000200c02200,00000000000001008202305480d00c260414dbff1f,0,12,38,1,0,7,50,51,-12.106,-4.02,0,0.0,0.009566047,+,0.5086,-,0.5086,https://www.genome.jp/dbget-bin/www_bget?dr:D07079
597,D08382, Piperidolate (INN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA30,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)C(=O)O[C@@H]1C[N@@H+](CCC1)CC,324.437,3.9981,101.296,30.74,28,1,2,KTHVBAZBLKXIHZ-IBGZPJMESA-O,C21H26NO2+,CC[NH+]1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1,"InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/p+1/t19-/m0/s1",-6.0319,-4.6097,-4.5663,-4.5568,-4.3992,-2.9843,1.5689,1.5757,1.5808,1.6018,1.8780000000000001,D08382_A03AA30,000e00000020000002000600800200000100005000020000000000a0000400101000500000000013000a001820000100010200000000400400000002000006180810080008100c4000000000028000010090015000002008c008080000000000400000210000000000000000c000100000070180000310000000000140000000,0500000030f005,070040020400000000009000000000000000000000000000000000000000000000000600c02a05,0000000000000100000432468a482ae70943cdf71f,0,12,39,1,0,6,50,52,-11.962,-4.0760000000000005,2,1.0,0.002608767,+,0.7478,-,0.7478,https://www.genome.jp/dbget-bin/www_bget?dr:D08382
598,D01165, Piperidolate hydrochloride (JAN)," Synthetic anticholinergics, esters with tertiary amino group",A03AA30,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)C(=O)O[C@@H]1C[N@@H+](CCC1)CC,324.437,3.9981,101.296,30.74,28,1,2,KTHVBAZBLKXIHZ-IBGZPJMESA-O,C21H26NO2+,CC[NH+]1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1,"InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3/p+1/t19-/m0/s1",-6.0311,-4.5911,-4.5897,-4.5651,-4.4436,-2.9656,1.5716,1.5735,1.5736,1.5911,1.8083,D01165_A03AA30,000e00000020000002000600800200000100005000020000000000a0000400101000500000000013000a001820000100010200000000400400000002000006180810080008100c4000000000028000010090015000002008c008080000000000400000210000000000000000c000100000070180000310000000000140000000,0500000030f005,070040020400000000009000000000000000000000000000000000000000000000000600c02a05,0000000000000100000432468a482ae70943cdf71f,0,12,39,1,0,6,50,52,-11.966,-4.07,2,,0.002607614,+,0.7478,-,0.7478,https://www.genome.jp/dbget-bin/www_bget?dr:D01165
599,D03088, Benzilonium bromide (USAN/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB01,ALIMENTARY TRACT AND METABOLISM,C(C(=O)O[C@@H]1C[N+](CC1)(CC)CC)(c1ccccc1)(O)c1ccccc1,354.463,3.0534,107.242,46.53,31,1,3,ZKCWITXZGWUJAV-FQEVSTJZSA-N,C22H28NO3+,CC[N+]1(CC)CCC(C1)OC(=O)C(c1ccccc1)(c1ccccc1)O,"InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1/t20-/m0/s1",-4.7602,-4.7451,-4.7369,-4.7041,-4.4301,-4.2188,1.6935,1.6951,1.7987,1.8471,1.8787,D03088_A03AB01,000600000020004006000600800200002100005000000000000000a0010400101000400880000017200a001820000100010200000000800400000002000026180880090008100440000008000280000100d0004000002008c008080000010000400000210000000010400000c000000000060180000310000000000040000000,0500004c30f005,034840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820434c009c82ae709479ff71f,0,12,43,1,0,7,54,56,-12.015,-3.931,1,,0.091571733,+,0.8502,-,0.8502,https://www.genome.jp/dbget-bin/www_bget?dr:D03088
600,D00540, Glycopyrrolate (USP)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB02,ALIMENTARY TRACT AND METABOLISM,[C@@](C(=O)O[C@@H]1C[N+](CC1)(C)C)(C1CCCC1)(c1ccccc1)O,318.431,2.4151,95.0618,46.53,31,1,3,ANGKOCUUWGHLCE-HKUYNNGSSA-N,C19H28NO3+,O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19-/m0/s1",-4.8296,-4.806,-4.7767,-4.7509,-4.4396,-3.2746,1.584,1.6371,1.7659,2.0188,2.1324,D00540_A03AB02,00060000002002400600060102020000210000100000000000000080000400101000400880000017200a001820010100010000000020c004000000020000a61808900900081004400000a8000a80000500d0004000003008c008080000090000400000000000000010400000c000080000070180020310000000000140000100,0500004c30f005,064840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820634d609c82c6709479ef31f,0,6,46,1,0,5,51,53,-12.245999999999999,-4.166,2,,0.021475881000000002,+,1.2722,-,1.2722,https://www.genome.jp/dbget-bin/www_bget?dr:D00540
601,D00540, Glycopyrrolate (USP), Anticholinergics,R03BB06,RESPIRATORY SYSTEM,[C@@](C(=O)O[C@@H]1C[N+](CC1)(C)C)(C1CCCC1)(c1ccccc1)O,318.431,2.4151,95.0618,46.53,31,1,3,ANGKOCUUWGHLCE-HKUYNNGSSA-N,C19H28NO3+,O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19-/m0/s1",-4.8171,-4.8168,-4.7752,-4.6927,-4.3794,-3.2632,1.5922,1.6979,1.9286,1.9873,2.1709,D00540_R03BB06,00060000002002400600060102020000210000100000000000000080000400101000400880000017200a001820010100010000000020c004000000020000a61808900900081004400000a8000a80000500d0004000003008c008080000090000400000000000000010400000c000080000070180020310000000000140000100,0500004c30f005,064840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820634d609c82c6709479ef31f,0,6,46,1,0,5,51,53,-12.245999999999999,-4.166,2,,0.021475881000000002,+,1.2722,-,1.2722,https://www.genome.jp/dbget-bin/www_bget?dr:D00540
602,D06877, Oxyphenonium bromide (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB03,ALIMENTARY TRACT AND METABOLISM,C1CCCC(C1)[C@](c1ccccc1)(C(=O)OCC[N+](CC)(CC)C)O,348.5,3.4841,101.296,46.53,37,1,3,GFRUPHOKLBPHTQ-OAQYLSRUSA-N,C21H34NO3+,CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C,"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1/t21-/m1/s1",-4.7664,-4.7582,-4.7094,-4.6698,-4.4843,-3.3098,1.5663,1.6269999999999998,1.7499,1.9827,2.148,D06877_A03AB03,00060000002002400200060002020000210000000000000000000080000400101000400800000017200a0008200101000100000000204006000000020000861808100900081004400000a0000a80000500d00040000030084008080000090000400000000000000000400000c000080000070180020300000000000100000100,0500004c30f005,074840040400000000009000000000000000000000000000000000000000000000000200c02204,00000020000001008200305608d82ea609169ff71f,0,6,53,1,0,9,59,60,-12.110999999999999,-3.972,1,0.0,0.09073893,-,1.0067,-,1.0067,https://www.genome.jp/dbget-bin/www_bget?dr:D06877
603,D07081, Penthienate bromide (NF XIII)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB04,ALIMENTARY TRACT AND METABOLISM,c1ccc(s1)[C@@](C1CCCC1)(C(=O)OCC[N+](CC)(C)CC)O,340.501,3.1555,94.3662,74.77,33,1,4,NEMLPWNINZELKP-SFHVURJKSA-N,C18H30NO3S+,CC[N+](CCOC(=O)C(c1cccs1)(C1CCCC1)O)(CC)C,"InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1/t18-/m0/s1",-4.7743,-4.7314,-4.715,-4.7093,-4.4154,-3.5526,1.5515,1.564,1.6261,1.9569999999999999,2.0321,D07081_A03AB04,1006c100002082680200060102020000250100800002000000000004000400121000400800001017800a0848202901001500000000204004080000020000861808100900083004400000a0001a80000580d000c000023000000048000009020040000000a000000200400000c040080001170180020300000000000500040100,0500004c30f005,07484004040000000000900000000000000000000000c000000000000000000000000600c02204,00000020080001008200b5d608d82e2609179ef71b,0,5,48,1,0,9,53,54,-11.425,-4.087,1,-1.0,0.05663916099999999,+,1.1415,-,1.1415,https://www.genome.jp/dbget-bin/www_bget?dr:D07081
604,D00481, Propantheline bromide (JP17/USP/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB05,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)C(c1c(O2)cccc1)C(=O)OCC[N+](C)(C(C)C)C(C)C,368.48900000000003,4.7308,107.698,35.53,33,0,3,VVWYOYDLCMFIEM-UHFFFAOYSA-N,C23H30NO3+,O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1",-4.6835,-4.6729,-4.6274,-4.5721,-4.3685,-3.0087,1.4665,1.5511,1.5964,1.6094,1.9591,D00481_A03AB05,000600000024020202000600800300000100204000000000000400e0000400101000400600000013000a000820004100000002000020000400000002000006180820080009100441000000000280000100910040000020084008080004000000408200090000000200000000c010000000860180080301200800000000000000,05000000b0f005,050044040400000000009000000000000000000000000000000000000000000000004600c02a01,0000002000000101000230501ad92d2608939fff1f,0,12,46,1,0,7,57,59,-11.319,-3.9419999999999997,0,1.0,0.202405736,+,0.7851,-,0.7851,https://www.genome.jp/dbget-bin/www_bget?dr:D00481
605,D07083, Otilonium bromide (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB06,ALIMENTARY TRACT AND METABOLISM,c1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)OCC[N+](CC)(C)CC)OCCCCCCCC,483.663,6.3944,143.293,64.63,48,1,5,NQHNLNLJPDMBFN-UHFFFAOYSA-O,C29H43N2O4+,CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](CC)(CC)C,"InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1",-4.7715,-4.757,-4.7123,-4.6412,-4.2411,-3.6367,1.4584,1.4963,1.5436,1.9562,1.9826,D07083_A03AB06,00020000000006c40100060000830000810000800008080000200080000400001400400000200133208e020840001040010002000020400800800022000086100820080249100011008091000288800020c000400410280840080000000100000014000200000002004102029010080000070980080300200808000102400004,0500000070f005,0300420404000000000090000a0000004001000000000000000000000000000000000240c02a00,00000020000001000000305909f83fe6d9faffff1f,0,12,65,2,0,18,78,79,-11.014000000000001,-4.133,0,0.0,0.8866469859999999,+,1.8319999999999999,-,1.8319999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D07083
606,D00721, Methanthelinium bromide (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB07,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)C(c1c(O2)cccc1)C(=O)OCC[N+](CC)(C)CC,340.436,3.9538,98.0844,35.53,29,0,3,GZHFODJQISUKAY-UHFFFAOYSA-N,C21H26NO3+,CC[N+](CCOC(=O)C1c2ccccc2Oc2c1cccc2)(CC)C,"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1",-4.7585,-4.7374,-4.7244,-4.7239,-4.3829,-2.9896,1.473,1.5471,1.5507,1.6341,1.9575,D00721_A03AB07,000600000024020202000600800300000100204000000000000400e0000400101000400600000013000a000820004100000002000020000400000002000006180820080009100441000000000280000100910040000020084008080004000000408200090000000200000000c010000000860180080301200800000000000000,05000000b0f005,050044040400000000009000000000000000000000000000000000000000000000004600c02a01,0000002000000101000030501ad92f2609939ff71f,0,12,40,1,0,7,51,53,-11.182,-4.11,0,1.0,0.110861637,+,0.6143,-,0.6143,https://www.genome.jp/dbget-bin/www_bget?dr:D00721
607,D00723, Tridihexethyl chloride (BAN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB08,ALIMENTARY TRACT AND METABOLISM,CC[N+](CC[C@](c1ccccc1)(C1CCCCC1)O)(CC)CC,318.517,4.7211,100.01100000000001,20.23,37,1,1,NPRHVSBSZMAEIN-NRFANRHFSA-N,C21H36NO+,CC[N+](CCC(c1ccccc1)(C1CCCCC1)O)(CC)CC,"InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1/t21-/m0/s1",-4.7091,-4.6961,-4.696000000000001,-4.6113,-2.8967,-1.6844,1.4108,1.4173,1.4317,1.4337,1.442,D00723_A03AB08,00060000000002400a000600020000000000001000000000000000800100000010005000800000013000001800010000010200000020c002000000020000000008000c00000000000000a000020000000080014000003008c0080800000900000000002000000000004000000000080000060100020110000002000100000000,0100004c00f001,074840040400000000000000000000000000000000000000000000000000000000000200c02204,00000020000001000200300689c82a8209169db51f,0,6,54,0,0,8,59,60,-12.384,-3.662,1,,0.20268102,-,0.9176,-,0.9176,https://www.genome.jp/dbget-bin/www_bget?dr:D00723
608,D01005, Isopropamide iodide (JAN/USP/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB09,ALIMENTARY TRACT AND METABOLISM,CC([N+](CCC(c1ccccc1)(c1ccccc1)C(=O)N)(C(C)C)C)C,353.52099999999996,4.8118,109.13,43.09,35,1,2,JTPUMZTWMWIVPA-UHFFFAOYSA-O,C23H33N2O+,CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",-4.7784,-4.7217,-4.5911,-4.5723,-4.4976,-4.2071,1.4588,1.4724,1.8169,1.9471,1.9806,D01005_A03AB09,00068000002000000a000600800000040000005000000000000000a0000000001000408100000000000600180001000001020000000000000000000200000000000004000000004000000000028000050090024000003008c0080800000820000000002100000000000000000000000000060100000110000002000000000200,0500000000f001,0b0040040400000000008000060000000000000000000000000000000000000000000200c02a00,00000020000001000202381e08e83c0200305daf1f,0,12,47,1,0,8,59,60,-12.375,-3.603,0,0.0,0.13921408400000002,+,0.6849,-,0.6849,https://www.genome.jp/dbget-bin/www_bget?dr:D01005
609,D01003, Hexocyclium metilsulfate (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB10,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)[C@@](C1CCCCC1)(C[NH+]1CC[N+](CC1)(C)C)O,318.497,2.9574,106.35799999999999,24.67,35,2,1,ZRYHPQCHHOKSMD-HXUWFJFHSA-O,C20H34N2O++,C[N+]1(C)CC[NH+](CC1)CC(c1ccccc1)(C1CCCCC1)O,"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1/p+1/t20-/m1/s1",-6.005,-4.763,-4.7347,-4.7052,-4.6792,-4.5516,1.9352,2.1858,2.3414,2.3558,3.1843,D01003_A03AB10,0006000000000240020006000200000c00000010000000000000008000000000100050832100000330002038000100000102000000204002000000020000001008000800000010000020a000020000000080014000003008c0080800800900000000002000000000004000008000080000060104020110000000000100000000,0100004c00f001,064840060400000000000000000000000000000000000000000000000000000000000600c02204,0000002000002100024632568ac0ac830d27ddb51f,0,6,53,0,0,4,57,59,-14.869000000000002,-7.905,1,0.0,1.46862e-06,-,1.2711,-,1.2711,https://www.genome.jp/dbget-bin/www_bget?dr:D01003
610,D05535, Poldine methylsulfate (USAN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB11,ALIMENTARY TRACT AND METABOLISM,C1[C@H](COC(=O)C(c2ccccc2)(c2ccccc2)O)[N+](CC1)(C)C,340.436,2.6633,102.435,46.53,29,1,3,CQRKVVAGMJJJSR-LJQANCHMSA-N,C21H26NO3+,O=C(C(c1ccccc1)(c1ccccc1)O)OCC1CCC[N+]1(C)C,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1/t19-/m1/s1",-4.8419,-4.7916,-4.7781,-4.7115,-4.3662,-4.2209,1.6591,1.838,2.0,2.0213,2.1816,D05535_A03AB11,000600000020004002000600800200002100005000000000000000a0000400101000500800000017200a001820000100010200000000400400000002000086180890090008100c40000000010280000100d0014000002008c008080000010000400000010000000010400000c000080000070180000310000000000140000000,0500004c30f005,024840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820634d408d82ca70107bfff1f,0,12,40,1,0,6,51,53,-12.183,-3.795,1,0.0,0.037925955,+,1.0033,-,1.0033,https://www.genome.jp/dbget-bin/www_bget?dr:D05535
611,D00720, Mepenzolate bromide (JP17/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB12,ALIMENTARY TRACT AND METABOLISM,C1C[C@@H](OC(=O)C(c2ccccc2)(c2ccccc2)O)C[N+](C1)(C)C,340.436,2.6633,102.435,46.53,29,1,3,GKNPSSNBBWDAGH-LJQANCHMSA-N,C21H26NO3+,O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1/t19-/m1/s1",-4.7871,-4.7797,-4.7780000000000005,-4.7586,-4.3752,-4.2561,1.6203,1.6385,1.6463,1.6804,1.8568,D00720_A03AB12,000e00000020004002000600800200002100005000020000000000a0000400101000500800000017200a001820000100010200000000400400000002000006180890090008100c40000000000280000100d0015000002008c008080000010000400000010000000000400000c000100000070180000310000000000140000000,0500004c30f005,024840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820630500ac82ce709479ff31f,0,12,40,1,0,5,51,53,-11.934000000000001,-3.925,1,1.0,0.039478235,+,0.9622,-,0.9622,https://www.genome.jp/dbget-bin/www_bget?dr:D00720
612,D01532, Bevonium methylsulfate (JAN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB13,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)OC[C@@H]1[N+](CCCC1)(C)C)O,354.463,3.0534,107.242,46.53,31,1,3,UHUMRJKDOOEQIG-HXUWFJFHSA-N,C22H28NO3+,O=C(C(c1ccccc1)(c1ccccc1)O)OCC1CCCC[N+]1(C)C,"InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1/t20-/m1/s1",-4.7765,-4.7712,-4.7609,-4.6586,-4.3988,-4.2282,1.6482,1.6507,1.8413,1.9369,2.0806,D01532_A03AB13,000600000020004002000600800200002100005000000000000000a0000400101000500800000017300a001820000100010200000020400400000002000086180890090008100c40000080000280000100d0015000002008c008080000010000400000210000000000400000c000080000070180000310000000000140000000,0500004c30f005,024840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820630540ad82ca70107bfff1f,0,12,43,1,0,6,54,56,-12.127,-3.806,1,,0.070050143,-,1.0064,-,1.0064,https://www.genome.jp/dbget-bin/www_bget?dr:D01532
613,D07084, Pipenzolate bromide (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB14,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)O[C@@H]1C[N@@+](CCC1)(CC)C)O,354.463,3.0534,107.242,46.53,31,1,3,WPUKUEMZZRVAKZ-NZQKXSOJSA-N,C22H28NO3+,CC[N+]1(C)CCCC(C1)OC(=O)C(c1ccccc1)(c1ccccc1)O,"InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1/t20-,23+/m0/s1",-4.7857,-4.7518,-4.7473,-4.7143,-4.4322,-4.2502,1.5544,1.6369999999999998,1.8408,1.8433,2.0248,D07084_A03AB14,000e00000020004002000600800200002100005000020000000000a0000400101000500800000017200a001820000100010200000000400400000002000006180890090008100c40000000000280000100d0015000002008c008080000010000400000210000000000400000c000100000070180000310000000000140000000,0500004c30f005,034840040400000000009000000000000000000000000000000000000000000000000600c02204,0000002000000100820430500ac82ee709479ff71f,0,12,43,1,0,6,54,56,-11.966,-4.046,2,0.0,0.095926568,+,0.8882,-,0.8882,https://www.genome.jp/dbget-bin/www_bget?dr:D07084
614,D06878, Diphemanil metilsulfate (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB15,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(=C1CC[N+](CC1)(C)C)c1ccccc1,278.411,4.3175,95.616,0.0,24,0,0,LCTZPQRFOZKZNK-UHFFFAOYSA-N,C20H24N+,C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,"InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1",-4.8051,-4.7909,-4.7479,-4.7473,-0.7963,-0.7963,1.4387,1.439,1.439,1.4627,1.4628,D06878_A03AB15,0006000000000004020c0600800040000000005000204000000000a0000000011000500000800000000000180000000001020000000000004000000200040000000000000200000000000000020000000080015000002008c8081800000000000004000180000880000000000000000000060100000310000000000900000000,0100000000f001,120040040400000000000000000000000000000000000000000000000000000000000640c02200,0000002000000300000e30100ec02c8301031da117,0,12,34,1,0,2,45,47,-11.93,-3.763,0,-1.0,0.080977134,+,0.7447,-,0.7447,https://www.genome.jp/dbget-bin/www_bget?dr:D06878
615,D01201, Tiemonium iodide (JAN/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB17,ALIMENTARY TRACT AND METABOLISM,s1cccc1[C@@](CC[N+]1(CCOCC1)C)(c1ccccc1)O,318.454,2.8097,95.3048,57.7,26,1,3,HJDYAOBDPZQHOD-GOSISDBHSA-N,C18H24NO2S+,C[N+]1(CCOCC1)CCC(c1cccs1)(c1ccccc1)O,"InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1/t18-/m1/s1",-4.8016,-4.7205,-4.7063,-4.6733,-4.1105,-2.2096,1.4502,1.4554,1.6912,1.7734,2.2862,D01201_A03AB17,1006c100000000480a00060080030000050200d000000000040000a6010400021000400080001013a00008580029000015020000000090000a0000020008001008010c00083008000000000012000000808000c000023008c0084800000900000120002180000000004000008000000000060180000110000002000400000100,0100004c30f001,02c84004040000000000000000000000000000000000c000000000000000000000000600c02204,00000020080001010204b5d28bd0ac8309078df51f,0,11,37,0,0,5,46,48,-12.035,-3.8930000000000002,1,,0.08751091400000001,+,0.6669,-,0.6669,https://www.genome.jp/dbget-bin/www_bget?dr:D01201
616,D01377, Prifinium bromide (JAN/INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB18,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(=C1CC[N+]([C@@H]1C)(CC)CC)c1ccccc1,306.464,5.0961,105.23,0.0,28,0,0,ZYEPZINLLPPBMI-GOSISDBHSA-N,C22H28N+,CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)C1C,"InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1/t18-/m1/s1",-5.9361,-4.7719,-4.7446,-4.7217,-1.6744,-0.8283,1.4256,1.4503,1.6398,1.7666,1.8408,D01377_A03AB18,0006000000000004020c0600800040000000015000204800000000a0000000011000500000800000000000180000000001028000000000004001000200040020000000000200000000000100020000000080014000002008c8085800000000000004002180001880100000000000000000060100000310000080000900000000,0100000000f001,130040040400000000000000000000000000000000000000000000000000000000000640c02204,0000002000000300000c34800cc82a8301133dad17,0,12,40,1,0,4,51,53,-12.181,-3.54,1,0.0,0.232863724,+,0.7681,-,0.7681,https://www.genome.jp/dbget-bin/www_bget?dr:D01377
617,D02535, Timepidium bromide hydrate (JP17)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB19,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](CC(=C(c2cccs2)c2cccs2)C[N+]1(C)C)OC,320.493,4.0654,97.262,65.71,23,0,3,PDYOTUCJOLELJU-CQSZACIVSA-N,C17H22NOS2+,COC1CC(=C(c2cccs2)c2cccs2)C[N+](C1)(C)C,"InChI=1S/C17H22NOS2/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16/h4-9,14H,10-12H2,1-3H3/q+1/t14-/m1/s1",-6.1274,-4.8028,-4.789,-4.7564,-1.6882,-1.6833,1.476,1.5813,1.8458,1.8571,1.8693,D02535_A03AB19,400ec102000000040200060080034004050001d00022480000000024000000031000500020a00013800008580008000045828020000050800a018032004c203008000800063008000000010012000200808001d00002a0008000580000000010012c0001800090800400000080401000000701000003100000800001000a0100,0100000030f001,12804004040000000000000000000000000000000000c000000000000000000000000640c02204,0000002008000300000eb5d00e888ce3085398b11f,0,10,34,1,0,3,43,45,-11.919,-3.824,1,-1.0,0.22088971699999999,+,1.6056,-,1.6056,https://www.genome.jp/dbget-bin/www_bget?dr:D02535
618,D07070, Fenpiverinium bromide (INN)," Synthetic anticholinergics, quaternary ammonium compounds",A03AB21,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)N)CC[N+]1(CCCCC1)C,337.478,4.1377,107.70200000000001,43.09,31,1,2,QDIYJDPBMZUZEH-UHFFFAOYSA-O,C22H29N2O+,NC(=O)C(c1ccccc1)(c1ccccc1)CC[N+]1(C)CCCCC1,"InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1",-4.8037,-4.791,-4.7845,-4.7285,-4.6173,-4.2045,1.4580000000000002,1.5132,1.8148,1.8575,2.2516,D07070_A03AB21,00268000002000000a000600800000040000005000000000000000a0000000001000508100000000000600180001000001020000000000000000000200000000000004000000004000000000028000050090035000003008c0080800000820000000002100000000000000000000000000060100000110000002000100000200,0500000000f001,0a0040040400000000008000060000000000000000000000000000000000000000000600c02a00,00000020000001000204381e0ae83c8301234daf1f,0,12,43,1,0,6,54,56,-12.454,-3.5589999999999997,0,-1.0,0.333311677,-,0.8879,-,0.8879,https://www.genome.jp/dbget-bin/www_bget?dr:D07070
619,D07087, Tiropramide (INN)," Synthetic antispasmodics, amides with tertiary amines",A03AC05,ALIMENTARY TRACT AND METABOLISM,c1(ccc(cc1)C[C@@H](C(=O)N(CCC)CCC)NC(=O)c1ccccc1)OCC[NH+](CC)CC,468.651,3.3707,140.158,63.08,47,2,5,FDBWMYOFXWMGEY-SANMLTNESA-O,C28H42N3O3+,CCCN(C(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)OCC[NH+](CC)CC)CCC,"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)/p+1/t26-/m0/s1",-6.0189,-4.5833,-4.5436,-4.4586,-4.1343,-3.8589,1.6845,1.9119,1.9213,2.1826,2.3531,D07087_A03AC05,00260000004004a00b0006000003000c0100009000001200000000c0000800001c0040830100001200862638000100000102020008000000000000020000001008000c0001140001002000000288800600b0004000003008c0080900800800000c1000220000040200000000801000000206010408011020083a000000a00004,0500000050f001,0300420204000000000080001a0000000001000000000000000000000000000000000240c02a04,00000000000001000040324c88783fe28d72dfff1f,0,12,63,2,0,17,76,77,-10.772,-4.2780000000000005,1,1.0,0.500060916,+,1.5979,-,1.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D07087
620,D08608, Tiropramide hydrochloride," Synthetic antispasmodics, amides with tertiary amines",A03AC05,ALIMENTARY TRACT AND METABOLISM,c1(ccc(cc1)C[C@@H](C(=O)N(CCC)CCC)NC(=O)c1ccccc1)OCC[NH+](CC)CC,468.651,3.3707,140.158,63.08,47,2,5,FDBWMYOFXWMGEY-SANMLTNESA-O,C28H42N3O3+,CCCN(C(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)OCC[NH+](CC)CC)CCC,"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)/p+1/t26-/m0/s1",-6.0249,-4.5804,-4.5501,-4.5438,-4.1447,-3.8383,1.6505,1.8931,1.9464,2.1307,2.3272,D08608_A03AC05,00260000004004a00b0006000003000c0100009000001200000000c0000800001c0040830100001200862638000100000102020008000000000000020000001008000c0001140001002000000288800600b0004000003008c0080900800800000c1000220000040200000000801000000206010408011020083a000000a00004,0500000050f001,0300420204000000000080001a0000000001000000000000000000000000000000000240c02a04,00000000000001000040324c88783fe28d72dfff1f,0,12,63,2,0,17,76,77,-10.763,-4.281000000000001,1,0.0,0.500007331,+,1.5979,-,1.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D08608
621,D07425, Papaverine (BAN), Papaverine and derivatives,A03AD01,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.088,-1.0623,-1.0569,-1.0294,-1.0284,-1.0273,0.4939,0.5022,0.5243,0.5566,0.6463,D07425_A03AD01,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.687000000000001,-0.721,0,-4.0,0.623511612,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D07425
622,D07425, Papaverine (BAN), Drugs used in erectile dysfunction,G04BE02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.0856,-1.0608,-1.0576,-1.0298,-1.0290000000000001,-1.0273,0.5046,0.5295,0.5593,0.6201,0.6471,D07425_G04BE02,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.687000000000001,-0.721,0,-4.0,0.623511612,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D07425
623,D02218, Papaverine hydrochloride (JP17/USP), Papaverine and derivatives,A03AD01,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.0954,-1.0568,-1.0503,-1.0288,-1.0270000000000001,-1.0252,0.4506,0.5062,0.5289,0.5547,0.6481,D02218_A03AD01,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.742,-0.628,0,,0.60171175,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D02218
624,D02218, Papaverine hydrochloride (JP17/USP), Drugs used in erectile dysfunction,G04BE02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.0868,-1.0607,-1.0528,-1.0287,-1.0278,-1.0278,0.5041,0.5314,0.5576,0.5942,0.6559,D02218_G04BE02,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.742,-0.628,0,,0.60171175,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D02218
625,D07439, Papaverine sulfate, Papaverine and derivatives,A03AD01,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.0914,-1.062,-1.057,-1.0278,-1.0271,-1.0265,0.5033,0.5247,0.5559,0.5578,0.7118,D07439_A03AD01,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.841000000000001,-0.677,0,-1.0,0.6281356220000001,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D07439
626,D07439, Papaverine sulfate, Drugs used in erectile dysfunction,G04BE02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC,339.385,3.86,97.164,49.81,26,0,5,XQYZDYMELSJDRZ-UHFFFAOYSA-N,C20H21NO4,COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",-1.0907,-1.0632,-1.0548,-1.0277,-1.0272,-1.0266,0.4531,0.5024,0.5252,0.5569,0.7089,D07439_G04BE02,00040020000004000a000200840200000000004040001200000000a00020000010004680000080200880000800000040000202000000280001000002000000008c800402410002010000402006480000008080400480000840080800000000000010000100000c0600000800201004000006011008410020080000420a000000,00000000503001,020002000000000000000000000000000000000000009000000000000000000000004600402000,0000000000000000810000101241016100d9b3dc1f,0,17,31,0,0,6,46,48,-8.841000000000001,-0.677,0,-1.0,0.6281356220000001,+,1.1241,-,1.1241,https://www.genome.jp/dbget-bin/www_bget?dr:D07439
627,D07088, Drotaverine (INN), Papaverine and derivatives,A03AD02,ALIMENTARY TRACT AND METABOLISM,c1(c(ccc(c1)/C=C/1\NCCc2c1cc(c(c2)OCC)OCC)OCC)OCC,397.50699999999995,5.254,121.384,48.95,36,1,5,OMFNSKIUKYOYRG-MOSHPQCFSA-N,C24H31NO4,CCOc1cc(ccc1OCC)C=C1NCCc2c1cc(OCC)c(c2)OCC,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",-4.9285,-3.1498,-1.0178,-1.0147,-1.0138,-1.0097,0.6991,0.7148,0.7565,0.9059999999999999,0.9522,D07088_A03AD02,00070000000004240a01060000034004000504c000207200000000c00000000410804481014000000080203800001200000202100000080020400012000400044a8008020304000180002020024880000080304000032008400808008004000008140002a0000482000008802010002000062110080910200800004608004804,0000000050b001,030042010000000000080000000000000000000000000000000000000000000000004640402800,0000000000100000800802049e51236100dbf7fd1f,0,12,49,1,0,9,60,62,-7.812,-0.33299999999999996,0,0.0,0.9205014109999999,+,1.0378,-,1.0378,https://www.genome.jp/dbget-bin/www_bget?dr:D07088
628,D07879, Drotaverine hydrochloride, Papaverine and derivatives,A03AD02,ALIMENTARY TRACT AND METABOLISM,c1(c(ccc(c1)/C=C/1\NCCc2c1cc(c(c2)OCC)OCC)OCC)OCC,397.50699999999995,5.254,121.384,48.95,36,1,5,OMFNSKIUKYOYRG-MOSHPQCFSA-N,C24H31NO4,CCOc1cc(ccc1OCC)C=C1NCCc2c1cc(OCC)c(c2)OCC,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",-4.9182,-3.1742,-1.0239,-1.0226,-1.0207,-1.0201,0.7052,0.7068,0.7469,0.7925,0.9271,D07879_A03AD02,00070000000004240a01060000034004000504c000207200000000c00000000410804481014000000080203800001200000202100000080020400012000400044a8008020304000180002020024880000080304000032008400808008004000008140002a0000482000008802010002000062110080910200800004608004804,0000000050b001,030042010000000000080000000000000000000000000000000000000000000000004640402800,0000000000100000800802049e51236100dbf7fd1f,0,12,49,1,0,9,60,62,-7.774,-0.28600000000000003,0,-2.0,0.92063123,+,1.0378,-,1.0378,https://www.genome.jp/dbget-bin/www_bget?dr:D07879
629,D07089, Moxaverine (INN), Papaverine and derivatives,A03AD30,ALIMENTARY TRACT AND METABOLISM,c1(nc(c2c(c1)cc(c(c2)OC)OC)Cc1ccccc1)CC,307.38599999999997,4.4052,93.95299999999999,31.35,24,0,3,MYCMTMIGRXJNSO-UHFFFAOYSA-N,C20H21NO2,CCc1cc2cc(OC)c(cc2c(n1)Cc1ccccc1)OC,"InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3",-1.0988,-1.0909,-1.0529,-1.0268,-1.0257,-0.5429999999999999,0.3611,0.4521,0.5072,0.5271,0.5565,D07089_A03AD30,00040020000004000a000200840208000010004040001200000000a00020000010004480000080200880000800000040000202000000200001000002008000008c800402410002010000400006480000008080400480000840080800000000000010000100000c0600000800211004000006011008410020080000000a000000,00000000503001,030002000000000000000000000000000000000000009000000000000000000000004600402000,000000000000000081000010124103e100d1b1dc1f,0,17,29,0,0,5,44,46,-8.779,-0.59,0,-1.0,0.80576241,+,0.7759999999999999,-,0.7759999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D07089
630,D08238, Moxaverine hydrochloride, Papaverine and derivatives,A03AD30,ALIMENTARY TRACT AND METABOLISM,c1(nc(c2c(c1)cc(c(c2)OC)OC)Cc1ccccc1)CC,307.38599999999997,4.4052,93.95299999999999,31.35,24,0,3,MYCMTMIGRXJNSO-UHFFFAOYSA-N,C20H21NO2,CCc1cc2cc(OC)c(cc2c(n1)Cc1ccccc1)OC,"InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3",-1.0987,-1.0902,-1.0527,-1.0247,-1.0241,-0.5238,0.3833,0.4529,0.5037,0.5259,0.5588,D08238_A03AD30,00040020000004000a000200840208000010004040001200000000a00020000010004480000080200880000800000040000202000000200001000002008000008c800402410002010000400006480000008080400480000840080800000000000010000100000c0600000800211004000006011008410020080000000a000000,00000000503001,030002000000000000000000000000000000000000009000000000000000000000004600402000,000000000000000081000010124103e100d1b1dc1f,0,17,29,0,0,5,44,46,-8.682,-0.597,0,-1.0,0.7941724059999999,+,0.7759999999999999,-,0.7759999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D08238
631,D07129, Alosetron (INN), Serotonin receptor antagonists,A03AE01,ALIMENTARY TRACT AND METABOLISM,C1N(C(=O)c2c(C1)n(c1c2cccc1)C)Cc1c(C)[nH]cn1,294.351,2.3462,89.4632,53.92,21,1,4,JSWZEAMFRNKZNL-UHFFFAOYSA-N,C17H18N4O,O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",-4.8562,-4.7899,-3.138,-1.9351,-1.5683,-1.4173,1.1275,1.1905,1.2336,1.6436,2.0187,D07129_A03AE01,200600a000820ce043004600040100040000008000400018000400c1005004001c04408300408021588e2718000082c0010a0040000020802600808a0822020004000c02c004020100807000829800000088814004802149c00a0800800100000d30000a004000000080100060100400100e011020011000005880010a000014,0400000000b001,030000000000000000008000200000004003000000009c00000000000000000000004640403800,000000000000000001d4349e1b69b84301e37daf1f,0,15,27,1,0,2,40,43,-8.544,0.244,0,0.0,0.28643026899999996,+,1.5462,-,1.5462,https://www.genome.jp/dbget-bin/www_bget?dr:D07129
632,D02829, Alosetron hydrochloride (USAN), Serotonin receptor antagonists,A03AE01,ALIMENTARY TRACT AND METABOLISM,C1N(C(=O)c2c(C1)n(c1c2cccc1)C)Cc1c(C)[nH]cn1,294.351,2.3462,89.4632,53.92,21,1,4,JSWZEAMFRNKZNL-UHFFFAOYSA-N,C17H18N4O,O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",-4.8657,-4.7937,-3.1439999999999997,-1.9404,-1.564,-1.4138,1.1299,1.1904,1.2353,1.6568,2.0156,D02829_A03AE01,200600a000820ce043004600040100040000008000400018000400c1005004001c04408300408021588e2718000082c0010a0040000020802600808a0822020004000c02c004020100807000829800000088814004802149c00a0800800100000d30000a004000000080100060100400100e011020011000005880010a000014,0400000000b001,030000000000000000008000200000004003000000009c00000000000000000000004640403800,000000000000000001d4349e1b69b84301e37daf1f,0,15,27,1,0,2,40,43,-8.544,0.242,0,1.0,0.28638058899999996,+,1.5462,-,1.5462,https://www.genome.jp/dbget-bin/www_bget?dr:D02829
633,D03495, Cilansetron (USAN/INN), Serotonin receptor antagonists,A03AE03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@@H](C1=O)Cn1c(ncc1)C)n1c3c2cccc3CCC1,319.4,3.5377,95.0535,39.82,23,0,4,NCNFDKWULDWJDS-OAHLLOKOSA-N,C20H21N3O,O=C1C(CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C,"InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1",-3.9801,-1.1467,-0.8145,-0.6644,-0.6026,-0.5895,0.4972,0.5093,0.6953,0.7553,0.8925,D03495_A03AE03,2004c02000020cc04a08c600060000808000001040000008010000c0002004001c0450800040802158820618000170c40100000008246000060080860002000004000c0ae00003000088e0008098000c009881400c801008d01808100009500005010020002000110280100061530e001806815002111000005a80010a000100,14000000003001,070000000000010000000000000000004003000000009800000000000000000000004640403805,0000000020000000015414801b41a8c301e3adaf1f,0,15,33,1,0,2,45,49,-8.754,-0.17800000000000002,1,1.0,0.469668239,+,1.9097,-,1.9097,https://www.genome.jp/dbget-bin/www_bget?dr:D03495
634,D03496, Cilansetron hydrochloride (USAN), Serotonin receptor antagonists,A03AE03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@@H](C1=O)Cn1c(ncc1)C)n1c3c2cccc3CCC1,319.4,3.5377,95.0535,39.82,23,0,4,NCNFDKWULDWJDS-OAHLLOKOSA-N,C20H21N3O,O=C1C(CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C,"InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1",-3.9756,-1.1463,-0.8296,-0.6632,-0.6038,-0.5879,0.4433,0.5096,0.7293,0.7546,0.8919,D03496_A03AE03,2004c02000020cc04a08c600060000808000001040000008010000c0002004001c0450800040802158820618000170c40100000008246000060080860002000004000c0ae00003000088e0008098000c009881400c801008d01808100009500005010020002000110280100061530e001806815002111000005a80010a000100,14000000003001,070000000000010000000000000000004003000000009800000000000000000000004640403805,0000000020000000015414801b41a8c301e3adaf1f,0,15,33,1,0,2,45,49,-8.753,-0.18100000000000002,1,-2.0,0.469614834,+,1.9097,-,1.9097,https://www.genome.jp/dbget-bin/www_bget?dr:D03496
635,D07091, Fenpiprane (INN), Other drugs for functional gastrointestinal disorders,A03AX01,ALIMENTARY TRACT AND METABOLISM,C(c1ccccc1)(c1ccccc1)CC[NH+]1CCCCC1,280.427,4.8466,95.2037,4.44,26,1,0,JXJPYHDHJZJWRI-UHFFFAOYSA-O,C20H26N+,C1CC[NH+](CC1)CCC(c1ccccc1)c1ccccc1,"InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2/p+1",-6.0366,-4.5808,-4.5760000000000005,-4.5308,-1.0118,-0.4773,1.4322,1.4493,1.4517,1.5685,1.5714,D07091_A03AX01,00260000000000000a000600800000000000005000000000000000a0000000001000500000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080015000003008c0080800000800000000002100000000000000000000000000060100000110000002000100000000,0100000000f001,060040020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000100000432068a40208301034d2517,0,12,37,0,0,5,47,49,-12.206,-3.7710000000000004,0,3.0,0.09528149699999999,+,1.1372,-,1.1372,https://www.genome.jp/dbget-bin/www_bget?dr:D07091
636,D07092, Diisopromine (INN), Other drugs for functional gastrointestinal disorders,A03AX02,ALIMENTARY TRACT AND METABOLISM,c1(ccccc1)C(c1ccccc1)CC[NH+](C(C)C)C(C)C,296.47,3.9103,98.5047,4.44,30,1,0,YBJKOPHEJOMRMN-UHFFFAOYSA-O,C21H30N+,CC([NH+](C(C)C)CCC(c1ccccc1)c1ccccc1)C,"InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3/p+1",-6.0375,-4.5124,-4.4805,-4.4746,-0.995,-0.4438,1.3835,1.3907,1.4059,1.5948,1.5953,D07092_A03AX02,00060000000000000a000600800000000000005000000000000000a0000000001000400000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080004000003008c0080800000800000000002100000000000000000000000000060100000110000002000000000000,0100000000f001,070040020400000000000000000000000000000000000000000000000000000000000200c02200,0000000000000100000212008848280200105dad17,0,12,41,0,0,7,52,53,-12.168,-3.753,0,0.0,0.07994940099999999,+,0.8692,-,0.8692,https://www.genome.jp/dbget-bin/www_bget?dr:D07092
637,D07093, Chlorbenzoxamine (INN), Other drugs for functional gastrointestinal disorders,A03AX03,ALIMENTARY TRACT AND METABOLISM,c1([C@@H](OCC[N@@H+]2CC[N@@H+](CC2)Cc2c(cccc2)C)c2ccccc2Cl)ccccc1,437.017,5.8764,138.525,18.11,34,2,1,VEVSKUJZSMGTMM-HHHXNRCGSA-P,C27H33ClN2O++,Cc1ccccc1C[NH+]1CC[NH+](CC1)CCOC(c1ccccc1Cl)c1ccccc1,"InChI=1S/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3/p+2/t27-/m1/s1",-6.0191,-5.9639,-5.7159,-4.5766,-4.5606,-4.559,1.8327,2.0296,2.3365,2.3611,2.6587,D07093_A03AX03,00060200000004440200060080030008810000c000400800002200e000240000100040022000001220810028001402000000000000000000000000020010001008000802081410000020210006080002008800400010200840080900000100000050000300000000004000009000000000060194000100000000000000800000,0100000030f001,018040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210000447244ca54a8a32da3edb51f,0,18,49,0,0,8,64,67,-13.449000000000002,-7.909,1,-1.0,0.000404451,+,1.1627,-,1.1627,https://www.genome.jp/dbget-bin/www_bget?dr:D07093
638,D07094, Pinaverium bromide (INN), Other drugs for functional gastrointestinal disorders,A03AX04,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(CCOCC[N+]2(CCOCC2)Cc2cc(c(cc2Br)OC)OC)[C@H]2C([C@H](CC1)C2)(C)C,511.51199999999994,5.2511,137.247,36.92,45,0,4,DDHUTBKXLWCZCO-FCEUIQTBSA-N,C26H41BrNO4+,COc1cc(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)c(cc1OC)Br,"InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1/t19-,21-,22+/m1/s1",-6.0153,-4.6869,-4.6716,-4.6714,-1.6721,-1.663,1.452,1.7978,1.8031,1.8172,2.1157,D07094_A03AX04,000200080800062008000600000300000100008000006200000000c000040010108044000080001300800008200000000102020000204802000000020000801008910800091420411000800012480000008000400200200040080000000000000110000200000402020000008010080000070180080100200880004508440000,0100000070f001,0f8042040400000000000000000000000000000000100000000000000000000000008600c02204,0004002000200101820670500adda9e329dbbff51f,0,6,70,0,0,10,73,76,-9.769,-4.095,3,2.0,,+,2.5695,-,2.5695,https://www.genome.jp/dbget-bin/www_bget?dr:D07094
639,D07095, Fenoverine (INN), Other drugs for functional gastrointestinal disorders,A03AX05,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)N(c1c(S2)cccc1)C(=O)C[N@@H+]1CC[N@@H+](CC1)Cc1ccc2c(c1)OCO2,461.57599999999996,4.7316,140.97,72.95,32,2,4,UBAJTZKNDCEGKL-UHFFFAOYSA-P,C26H27N3O3S++,O=C(N1c2ccccc2Sc2c1cccc2)C[NH+]1CC[NH+](CC1)Cc1ccc2c(c1)OCO2,"InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2/p+2",-6.0113,-5.985,-5.7185,-4.9404,-4.5833,-4.5558,2.0399,2.3064,2.3379,2.3480000000000003,2.9165,D07095_A03AX05,2002010000e004000100060100830009800000a810002202000200c0004000400b804c022220802000860028000214c0000202020200280800000022001004040a802000410400210120102002c8000200a0006004402840400a010000202000001000021000040200200000001004000006110c280102200802804402400000,0500000050f101,000050020400804000008000120000000000000000000000000000000000000000004600c02a04,00000008080021058044b7cc9a71b1874da3cf7f1f,0,18,46,1,0,5,60,65,-12.86,-7.8870000000000005,0,0.0,5.9745600000000006e-05,-,2.4162,-,2.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D07095
640,D05644, Proxazole (USAN/INN), Other drugs for functional gastrointestinal disorders,A03AX07,ALIMENTARY TRACT AND METABOLISM,c1ccc(cc1)[C@H](c1nc(on1)CC[NH+](CC)CC)CC,288.408,2.0787,86.5197,43.36,28,1,3,OLTAWOVKGWWERU-OAHLLOKOSA-O,C17H26N3O+,CCC(c1ccccc1)c1noc(n1)CC[NH+](CC)CC,"InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3/p+1/t15-/m1/s1",-5.9794,-4.586,-4.5611,-4.5371,-1.9708,-1.8305,1.4315,1.456,1.6006,1.6013,1.6055,D05644_A03AX07,08060060800001002200060004000801001040102000000000060080001000001000451000020420008000180009c80401030000081000000300000e00822001060008204000020180100000020020200088004000e03008500a0800240900000010004800080000000018000002000000060104010118000020008040000004,0100000000f001,07004002040000000000000000000000000000000000b000000000000000000000000600c03204,000000002000010141d036e8a968ba0b09335cad1f,0,11,37,0,0,8,47,48,-11.668,-4.234,1,1.0,0.01346742,+,0.4005,-,0.4005,https://www.genome.jp/dbget-bin/www_bget?dr:D05644
641,D01650, Proxazole citrate (JAN/USAN), Other drugs for functional gastrointestinal disorders,A03AX07,ALIMENTARY TRACT AND METABOLISM,c1ccc(cc1)[C@H](c1nc(on1)CC[NH+](CC)CC)CC,288.408,2.0787,86.5197,43.36,28,1,3,OLTAWOVKGWWERU-OAHLLOKOSA-O,C17H26N3O+,CCC(c1ccccc1)c1noc(n1)CC[NH+](CC)CC,"InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3/p+1/t15-/m1/s1",-5.9942,-4.5795,-4.5286,-4.5189,-1.9453,-1.838,1.4447,1.4512,1.5668,1.5758,1.6006,D01650_A03AX07,08060060800001002200060004000801001040102000000000060080001000001000451000020420008000180009c80401030000081000000300000e00822001060008204000020180100000020020200088004000e03008500a0800240900000010004800080000000018000002000000060104010118000020008040000004,0100000000f001,07004002040000000000000000000000000000000000b000000000000000000000000600c03204,000000002000010141d036e8a968ba0b09335cad1f,0,11,37,0,0,8,47,48,-11.659,-4.234,1,0.0,0.013491598999999998,+,0.4005,-,0.4005,https://www.genome.jp/dbget-bin/www_bget?dr:D01650
642,D07440, Alverine (INN), Other drugs for functional gastrointestinal disorders,A03AX08,ALIMENTARY TRACT AND METABOLISM,c1c(cccc1)CCC[NH+](CCCc1ccccc1)CC,282.443,3.1568,93.6977,4.44,28,1,0,ZPFXAOWNKLFJDN-UHFFFAOYSA-O,C20H28N+,CC[NH+](CCCc1ccccc1)CCCc1ccccc1,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3/p+1",-6.0326,-4.5761,-4.5543,-4.53,-0.5085,-0.503,1.3975,1.4189,1.4264,1.6074,1.6093,D07440_A03AX08,00260000000000000a00060000000000000000100000000000000080000000001000400000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080004000003008c0080800000800000000002000000000000000000000000000060100000110000002000000000000,0100000000f001,030040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000000320288482a8201024da517,0,12,38,0,0,9,49,50,-12.208,-3.889,0,1.0,0.106163412,+,0.6918,-,0.6918,https://www.genome.jp/dbget-bin/www_bget?dr:D07440
643,D02877, Alverine citrate (USAN), Other drugs for functional gastrointestinal disorders,A03AX08,ALIMENTARY TRACT AND METABOLISM,c1c(cccc1)CCC[NH+](CCCc1ccccc1)CC,282.443,3.1568,93.6977,4.44,28,1,0,ZPFXAOWNKLFJDN-UHFFFAOYSA-O,C20H28N+,CC[NH+](CCCc1ccccc1)CCCc1ccccc1,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3/p+1",-6.0413,-4.5498,-4.5441,-4.5426,-0.5067,-0.5061,1.3997,1.4235,1.4469999999999998,1.5859999999999999,1.5876,D02877_A03AX08,00260000000000000a00060000000000000000100000000000000080000000001000400000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080004000003008c0080800000800000000002000000000000000000000000000060100000110000002000000000000,0100000000f001,030040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000000320288482a8201024da517,0,12,38,0,0,9,49,50,-12.209000000000001,-3.89,0,1.0,0.10619196300000001,+,0.6918,-,0.6918,https://www.genome.jp/dbget-bin/www_bget?dr:D02877
644,D01365, Trepibutone (JP17/INN), Other drugs for functional gastrointestinal disorders,A03AX09,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1OCC)C(=O)CCC(=O)O)OCC)OCC,310.342,2.9302,81.9193,82.06,27,1,6,YPTFHLJNWSJXKG-UHFFFAOYSA-N,C16H22O6,CCOc1cc(OCC)c(cc1C(=O)CCC(=O)O)OCC,"InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)",-4.6134,-4.1669,-2.8002,-1.8122,-1.5498,-1.0268,0.6622,1.124,1.2022,1.5177,2.3536,D01365_A03AX09,00044002000000800a400200020301000000000000081a00000000c0000000001404400000000001000a020800010000010a020000004800048000020000000008a00822014000018000202002c08004609000400000100840080800000800000002000000000442000002c000100800000221000b0100200808004301000504,1400000c50b003,030002000000010000008800000000004001000000000000000000000000000000000240402801,0000000000000000800000038010236488deb6d71e,0,6,36,2,0,10,44,44,-4.3839999999999995,1.795,0,,0.00010551799999999999,-,0.6401,-,0.6401,https://www.genome.jp/dbget-bin/www_bget?dr:D01365
645,D07097, Isometheptene mucate (USP), Other drugs for functional gastrointestinal disorders,A03AX10,ALIMENTARY TRACT AND METABOLISM,C(=O)([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O,210.139,-3.4008,39.1468,155.52,16,6,8,DSLZVSRJTYRBFB-DUHBMQHGSA-N,C6H10O8,OC(C(C(=O)O)O)C(C(C(=O)O)O)O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-",-4.5369,-4.4942,-4.4671,-4.4377,-2.7253,-2.6781,2.3515,2.3786,2.3812,2.4413,2.4769,D07097_A03AX10,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400002c00a002,002800000001000000008800000000200000000000000000000000000000000000000000402804,00000000000030008000000100000004840c825208,0,0,21,2,0,5,24,23,-2.022,9.031,4,0.0,,+,0.4602,-,0.4602,https://www.genome.jp/dbget-bin/www_bget?dr:D07097
646,D07098, Caroverine (INN), Other drugs for functional gastrointestinal disorders,A03AX11,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)n(c(=O)c(n2)Cc1ccc(cc1)OC)CC[NH+](CC)CC,366.477,1.9206,111.399,48.56,31,1,4,MSPRUJDUTKRMLM-UHFFFAOYSA-O,C22H28N3O2+,COc1ccc(cc1)Cc1nc2ccccc2n(c1=O)CC[NH+](CC)CC,"InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3/p+1",-6.0452,-4.5436,-4.5337,-4.5054,-4.1845,-3.114,1.5956,1.6008,1.6909999999999998,1.7058,1.7288,D07098_A03AX11,0006002000000c2012080600840200080400005000805208000000c00000040c140060020000802110840038800000c0000002000004600001000082000001088c000402c10896010000400102880000008081400480200ce0180880010060160010000106a004020001080062100c001806015008050020082400002a000008,0100000050f001,030042020400000000008000200000000000000000009900000000000000000000004640c03200,0000000000000100014432589a69bbe301f3fdff1f,0,17,39,1,0,8,55,57,-11.056,-4.02,0,1.0,0.083280638,+,0.7188,-,0.7188,https://www.genome.jp/dbget-bin/www_bget?dr:D07098
647,D00152, Phloroglucinol (JAN), Other drugs for functional gastrointestinal disorders,A03AX12,ALIMENTARY TRACT AND METABOLISM,c1(cc(cc(c1)O)O)O,126.11,0.8034,32.510999999999996,60.69,9,3,3,QCDYQQDYXPDABM-UHFFFAOYSA-N,C6H6O3,Oc1cc(O)cc(c1)O,"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",-0.7377,-0.7257,-0.7253,-0.6273,-0.6266,-0.623,0.4881,0.5251,0.6469,0.8491,0.8581,D00152_A03AX12,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000008020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000001000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000010000000000100000140044482501e,0,6,9,0,0,0,15,15,-9.402999999999999,0.469,0,0.0,0.000988879,-,0.3615,+,0.3615,https://www.genome.jp/dbget-bin/www_bget?dr:D00152
648,D08369, Polyphloroglucinol phosphate, Other drugs for functional gastrointestinal disorders,A03AX12,ALIMENTARY TRACT AND METABOLISM,c1(cc(cc(c1)OP(=O)(O)O)O)O,206.09,0.5693,43.1601,117.03,11,4,6,CBOVPRLPVFGQHP-UHFFFAOYSA-N,C6H7O6P,Oc1cc(cc(c1)O)OP(=O)(O)O,"InChI=1S/C6H7O6P/c7-4-1-5(8)3-6(2-4)12-13(9,10)11/h1-3,7-8H,(H2,9,10,11)",-10.5291,-10.4874,-10.2248,-4.8292,-2.2808,-2.2055,1.5898,2.9736,3.0685,3.5088,5.0911,D08369_A03AX12,008012200000000000000200000000020000030000000002000000000000000000000000000000000000000c000000000008020000004000000000002000000008000000000000000000020003100000008040000000000040080000000000080000000000400202000000001400000000020000000000200800000001002000,0000000402b001,000000000000000000000000000000000000000000010000000000000010200000000200402800,00000010008410001000000120820168064c8a501e,0,6,13,1,0,2,20,20,0.20199999999999999,6.744,0,0.0,5.1902700000000005e-21,+,0.1728,-,0.1728,https://www.genome.jp/dbget-bin/www_bget?dr:D08369
649,D01538, Valethamate bromide (JAN), Other drugs for functional gastrointestinal disorders,A03AX14,ALIMENTARY TRACT AND METABOLISM,CC[N+](CCOC(=O)[C@H](c1ccccc1)[C@H](C)CC)(CC)C,306.46299999999997,3.8459,92.7514,26.3,34,0,2,UPPMZCXMQRVMME-AEFFLSMTSA-N,C19H32NO2+,CCC(C(c1ccccc1)C(=O)OCC[N+](CC)(CC)C)C,"InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1/t16-,18+/m1/s1",-4.7707,-4.7646,-4.7138,-4.7081,-4.4501,-2.9619,1.4531,1.4647,1.5454,1.5643,1.617,D01538_A03AX14,00060000002000000200060000020000010000000000000000000080000400101000400000000013000a000820010100010000000000400400000002000086180810080008100440000020000280000500900040000030084008080000080000400000000000000000000000c000080000070180020300000000000100000100,0500000030f005,070040040400000000009000000000000000000000000000000000000000000000000200c02a05,00000020000001000000305008d82e2609121cf71f,0,6,47,1,0,10,54,54,-12.009,-4.035,2,,0.000631781,+,0.7045,-,0.7045,https://www.genome.jp/dbget-bin/www_bget?dr:D01538
650,D00113, Atropine (USP)," Belladonna alkaloids, tertiary amines",A03BA01,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0337,-4.6265,-4.5889999999999995,-4.5878,-4.4386,-2.9609,1.5047,1.5396,1.5489,1.5513,1.5528,D00113_A03BA01,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.084000000000001,-4.019,3,0.0,0.002071569,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D00113
651,D00113, Atropine (USP), Anticholinergics,S01FA01,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0360000000000005,-4.6215,-4.5813,-4.5743,-4.416,-2.9654,1.5425,1.5467,1.5471,1.5505,1.5978,D00113_S01FA01,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.084000000000001,-4.019,3,0.0,0.002071569,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D00113
652,D02069, Atropine sulfate (JP17/USP)," Belladonna alkaloids, tertiary amines",A03BA01,ALIMENTARY TRACT AND METABOLISM,C1C[C@@H]2[N@@H+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0332,-4.6298,-4.592,-4.5902,-4.3897,-2.9736,1.5387,1.5478,1.5531,1.5539,1.6059999999999999,D02069_A03BA01,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.082,-4.019,3,2.0,0.002071835,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D02069
653,D02069, Atropine sulfate (JP17/USP), Anticholinergics,S01FA01,SENSORY ORGANS,C1C[C@@H]2[N@@H+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0304,-4.6236,-4.6018,-4.5968,-4.3664,-2.9907,1.5472,1.5490000000000002,1.5516,1.5567,1.6016,D02069_S01FA01,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.082,-4.019,3,2.0,0.002071835,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D02069
654,D00147, Hyoscyamine (USP)," Belladonna alkaloids, tertiary amines",A03BA03,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0354,-4.6228,-4.5826,-4.5784,-4.4256,-2.9672,1.5416,1.5456,1.5490000000000002,1.5511,1.5992,D00147_A03BA03,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.079,-4.019,3,,0.002071599,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D00147
655,D00719, Hyoscyamine sulfate (USP)," Belladonna alkaloids, tertiary amines",A03BA03,ALIMENTARY TRACT AND METABOLISM,C1C[C@@H]2[N@@H+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0313,-4.5952,-4.585,-4.5805,-4.4287,-2.9599,1.5395,1.5435,1.5441,1.5545,1.5898,D00719_A03BA03,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.085,-4.019,3,0.0,0.002069764,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D00719
656,D01648, Hyoscyamine methylbromide (JAN)," Belladonna alkaloids, tertiary amines",A03BA03,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C,304.404,2.0343,90.3718,46.53,29,1,3,PIPAJLPNWZMYQA-LTIDMASMSA-N,C18H26NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17-/m1/s1",-4.7982,-4.7601,-4.7558,-4.7348,-4.4435,-2.9624,1.4983,1.5111,1.5412,1.5495,1.5612,D01648_A03BA03,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840040400000000009000000000000000000000000000000000000000000000008600c02a05,00000420000001000006369103d928e709459fff1f,0,6,43,1,0,5,48,50,-11.935,-3.986,3,,0.00025928,-,0.8208,-,0.8208,https://www.genome.jp/dbget-bin/www_bget?dr:D01648
657,D04479, Hyoscyamine hydrobromide (USP)," Belladonna alkaloids, tertiary amines",A03BA03,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,290.377,2.083,85.4705,50.97,27,2,3,RKUNBYITZUJHSG-FXUDXRNXSA-O,C17H24NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1",-6.0323,-4.6266,-4.5922,-4.5865,-4.4255,-2.969,1.5435,1.5488,1.5518,1.5522,1.6044,D04479_A03BA03,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840020400000000009000000000000000000000000000000000000000000000008600c02a05,000004000000010000041697835928e70d45cfff1f,0,6,40,1,0,5,45,47,-12.085999999999999,-4.024,3,0.0,0.002070503,-,0.7348,-,0.7348,https://www.genome.jp/dbget-bin/www_bget?dr:D04479
658,D01451, Scopolamine butylbromide (JP17)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H](O2)[C@H]2[N@+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(CCCC)C,360.467,2.1918,103.764,59.06,34,1,4,YBCNXCRZPWQOBR-IGDPVYPXSA-N,C21H30NO4+,CCCC[N+]1(C)C2CC(CC1C1C2O1)OC(=O)C(c1ccccc1)CO,"InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22+/m1/s1",-5.6122,-5.5556,-4.8158,-4.7028,-4.3736,-3.0066,1.6563,1.6566,1.6833,1.7114,1.9404,D01451_A03BB01,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,079840040400000000009000000000000000000000000000000000000000000000004e00c02a05,0080242000000101000436d11bd9aee7094f9fff1f,0,6,52,1,0,8,56,59,-12.056,-4.059,5,0.0,0.016925193,+,2.0540000000000003,-,2.0540000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D01451
659,D01077, Methylatropine nitrate (USAN)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB02,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C,304.404,2.0343,90.3718,46.53,29,1,3,PIPAJLPNWZMYQA-LTIDMASMSA-N,C18H26NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17-/m1/s1",-4.7889,-4.7713,-4.7626,-4.7517,-4.42,-2.9687,1.4963,1.5384,1.5418,1.5436,1.5504,D01077_A03BB02,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840040400000000009000000000000000000000000000000000000000000000008600c02a05,00000420000001000006369103d928e709459fff1f,0,6,43,1,0,5,48,50,-12.061,-3.908,3,2.0,0.00028585599999999997,-,0.8208,-,0.8208,https://www.genome.jp/dbget-bin/www_bget?dr:D01077
660,D03814, Atropine methylbromide (JAN)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB02,ALIMENTARY TRACT AND METABOLISM,C1C[C@H]2[N+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C,304.404,2.0343,90.3718,46.53,29,1,3,PIPAJLPNWZMYQA-LTIDMASMSA-N,C18H26NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17-/m1/s1",-4.7918,-4.7831,-4.7578,-4.7553,-4.3729,-2.9665,1.4962,1.5361,1.5528,1.5557,1.577,D03814_A03BB02,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,061840040400000000009000000000000000000000000000000000000000000000008600c02a05,00000420000001000006369103d928e709459fff1f,0,6,43,1,0,5,48,50,-11.779000000000002,-3.927,3,1.0,0.00029617,-,0.8208,-,0.8208,https://www.genome.jp/dbget-bin/www_bget?dr:D03814
661,D01976, N-Methylscopolamine methylsulfate (JAN)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB03,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@H](O2)[C@@H]2[N+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C,318.387,1.0215,89.3428,59.06,28,1,4,LZCOQTDXKCNBEE-IKIFYQGPSA-N,C18H24NO4+,OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3,"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1",-5.6208,-5.6151,-4.828,-4.7569,-4.4013,-2.9863,1.5458,1.6569999999999998,1.6587,1.7075,1.7128,D01976_A03BB03,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840040400000000009000000000000000000000000000000000000000000000004e00c02a05,0080242000000101000636d113d188e7084d9bff1f,0,6,43,1,0,5,47,50,-12.106,-4.195,5,,0.001841636,+,2.0717,-,2.0717,https://www.genome.jp/dbget-bin/www_bget?dr:D01976
662,D01976, N-Methylscopolamine methylsulfate (JAN), Anticholinergics,S01FA03,SENSORY ORGANS,[C@@H]12[C@H](O2)[C@@H]2[N+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C,318.387,1.0215,89.3428,59.06,28,1,4,LZCOQTDXKCNBEE-IKIFYQGPSA-N,C18H24NO4+,OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3,"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1",-5.6227,-5.6151,-4.831,-4.7491,-4.397,-2.9918,1.6534,1.6599,1.7094,1.7119,2.0091,D01976_S01FA03,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840040400000000009000000000000000000000000000000000000000000000004e00c02a05,0080242000000101000636d113d188e7084d9bff1f,0,6,43,1,0,5,47,50,-12.106,-4.195,5,,0.001841636,+,2.0717,-,2.0717,https://www.genome.jp/dbget-bin/www_bget?dr:D01976
663,D07951, Fentonium bromide (INN)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB04,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(C[C@H]2[N@+]([C@@H](C1)CC2)(C)CC(=O)c1ccc(cc1)c1ccccc1)OC(=O)[C@H](c1ccccc1)CO,484.606,4.9544,145.523,63.6,38,1,4,CSYZZFNWCDOVIM-MJTLBPOFSA-N,C31H34NO4+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)CC(=O)c1ccc(cc1)c1ccccc1,"InChI=1S/C31H34NO4/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24/h2-15,26-29,33H,16-21H2,1H3/q+1/t26-,27+,28-,29-,32-/m0/s1",-5.0746,-4.8048,-4.7346,-4.7266,-4.5195,-2.9488,1.6404,1.6621,1.7212,2.0352,2.2144,D07951_A03BB04,00260000006002800600060000420004401000100000000000000080010400001400508180000011100a221820000100010200100020c005000000020000a20808100800000004c0000088000280001300b8015000002008c0080801800100004000002000000000100000004000080000070140000110000008000140200000,1500001c30f005,061840040400010000009000000000000001000000000000000000000000000000008640c02a05,0000042000000120000436d10bd92ce7894f8fff1f,0,18,54,2,0,9,70,74,-11.748,-3.97,3,1.0,0.850448012,+,2.1937,-,2.1937,https://www.genome.jp/dbget-bin/www_bget?dr:D07951
664,D07099, Cimetropium bromide (INN)," Belladonna alkaloids, semisynthetic, quaternary ammonium compounds",A03BB05,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@H](O2)[C@@H]2[N@+]([C@H]1C[C@@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)CC1CC1,358.45099999999996,1.8017,101.65,59.06,32,1,4,QVVOZYKELHAIPX-IGDPVYPXSA-N,C21H28NO4+,OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)CC1CC1)O3,"InChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22+/m1/s1",-5.6229,-5.5895,-5.5889999999999995,-4.8241,-4.3873,-2.9848,1.6624,1.6847,1.7495,2.022,2.0227,D07099_A03BB05,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008803028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840040400000000009000000000000000000000000000000000000000000000004e00c02a05,0080242000000101000436d11bd98ce7094f8fff1f,0,6,51,1,0,7,54,58,-12.431,-4.019,5,2.0,0.009613924,+,2.9596,-,2.9596,https://www.genome.jp/dbget-bin/www_bget?dr:D07099
665,D00726, Metoclopramide (JP17/INN), Propulsives,A03FA01,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(c(c1)Cl)N)OC)C(=O)NCC[NH+](CC)CC,300.80400000000003,1.5574,83.5333,68.79,27,3,4,TTWJBBZEZQICBI-UHFFFAOYSA-O,C14H23ClN3O2+,CC[NH+](CCNC(=O)c1cc(Cl)c(cc1OC)N)CC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1",-5.9661,-5.0961,-5.085,-4.5848,-4.5755,-4.562,1.6022,1.6468,1.6579,2.6453,2.8812,D00726_A03FA01,000202000000048401080600000300080000008000081000000400c0002000000c0040020000002000870228000000400004020000000000000400020000000008200000410400810020000806880002008800400400200848081100000000000814000200000006000102000010000000060184080100200828008802800000,0500000050f021,0100420a04000000000080000a0000004001000000040000000000000000000000000240c02a00,000000000000210000407a1dc96c3b6275f2fcff1f,0,6,36,1,0,8,43,43,-10.94,-4.0680000000000005,0,0.0,0.000148967,+,0.3047,-,0.3047,https://www.genome.jp/dbget-bin/www_bget?dr:D00726
666,D02213, Metoclopramide hydrochloride (JAN), Propulsives,A03FA01,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(c(c1)Cl)N)OC)C(=O)NCC[NH+](CC)CC,300.80400000000003,1.5574,83.5333,68.79,27,3,4,TTWJBBZEZQICBI-UHFFFAOYSA-O,C14H23ClN3O2+,CC[NH+](CCNC(=O)c1cc(Cl)c(cc1OC)N)CC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1",-5.9583,-5.0969,-5.0881,-4.5845,-4.5485,-4.5353,1.5509,1.5907,1.5976,2.6443,2.8662,D02213_A03FA01,000202000000048401080600000300080000008000081000000400c0002000000c0040020000002000870228000000400004020000000000000400020000000008200000410400810020000806880002008800400400200848081100000000000814000200000006000102000010000000060184080100200828008802800000,0500000050f021,0100420a04000000000080000a0000004001000000040000000000000000000000000240c02a00,000000000000210000407a1dc96c3b6275f2fcff1f,0,6,36,1,0,8,43,43,-10.94,-4.067,0,0.0,0.000148836,+,0.3047,-,0.3047,https://www.genome.jp/dbget-bin/www_bget?dr:D02213
667,D05008, Metoclopramide hydrochloride (USAN), Propulsives,A03FA01,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(c(c1)Cl)N)OC)C(=O)NCC[NH+](CC)CC,300.80400000000003,1.5574,83.5333,68.79,27,3,4,TTWJBBZEZQICBI-UHFFFAOYSA-O,C14H23ClN3O2+,CC[NH+](CCNC(=O)c1cc(Cl)c(cc1OC)N)CC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1",-5.9616,-5.1093,-5.0882,-4.6058,-4.6028,-4.5641,1.6127,1.6238,1.6394,2.6138,3.1574,D05008_A03FA01,000202000000048401080600000300080000008000081000000400c0002000000c0040020000002000870228000000400004020000000000000400020000000008200000410400810020000806880002008800400400200848081100000000000814000200000006000102000010000000060184080100200828008802800000,0500000050f021,0100420a04000000000080000a0000004001000000040000000000000000000000000240c02a00,000000000000210000407a1dc96c3b6275f2fcff1f,0,6,36,1,0,8,43,43,-10.94,-4.066,0,1.0,0.000148851,+,0.3047,-,0.3047,https://www.genome.jp/dbget-bin/www_bget?dr:D05008
668,D00274, Cisapride (USAN/INN), Propulsives,A03FA02,ALIMENTARY TRACT AND METABOLISM,C(=O)(N[C@@H]1[C@@H](C[N@@H+](CC1)CCCOc1ccc(cc1)F)OC)c1c(cc(c(c1)Cl)N)OC,466.95300000000003,4.4823,126.516,87.25,36,3,6,DCSUBABJRXZOMT-RBBKRZOGSA-O,C23H30ClFN3O4+,COC1C[NH+](CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/p+1/t20-,22+/m0/s1",-6.0439,-5.0989,-5.0799,-4.5653,-4.5396,-4.5228,1.5902,1.6336,2.1882,2.3325,2.6115,D00274_A03FA02,402a0200000004a4118806000003000001000090000a9000000400c0012000001c0050008010003300870a1800000040010642000000c0000004000200002010082008004114088100100008068880020088015004002008e809100000000000001400220000000610010202801010000007018208011020085c00890a800004,0500000070f021,0280420a04000000000080000a00000040010000000c0000000000000000000000000640c02a04,000000000002110000847a5fcb7c39e37debffff1f,1,12,51,1,0,10,62,64,-10.805,-4.062,3,,0.287405968,-,1.6797,-,1.6797,https://www.genome.jp/dbget-bin/www_bget?dr:D00274
669,D02092, Cisapride (JAN), Propulsives,A03FA02,ALIMENTARY TRACT AND METABOLISM,C(=O)(N[C@@H]1[C@@H](C[N@@H+](CC1)CCCOc1ccc(cc1)F)OC)c1c(cc(c(c1)Cl)N)OC,466.95300000000003,4.4823,126.516,87.25,36,3,6,DCSUBABJRXZOMT-RBBKRZOGSA-O,C23H30ClFN3O4+,COC1C[NH+](CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/p+1/t20-,22+/m0/s1",-6.0358,-5.1043,-5.0871,-4.5844,-4.5633,-4.5167,1.5659,1.5754,2.0429,2.106,2.5992,D02092_A03FA02,402a0200000004a4118806000003000001000090000a9000000400c0012000001c0050008010003300870a1800000040010642000000c0000004000200002010082008004114088100100008068880020088015004002008e809100000000000001400220000000610010202801010000007018208011020085c00890a800004,0500000070f021,0280420a04000000000080000a00000040010000000c0000000000000000000000000640c02a04,000000000002110000847a5fcb7c39e37debffff1f,1,12,51,1,0,10,62,64,-10.805,-4.062,3,2.0,0.297380954,-,1.6797,-,1.6797,https://www.genome.jp/dbget-bin/www_bget?dr:D02092
670,D01745, Domperidone (JP17/USAN/INN), Propulsives,A03FA03,ALIMENTARY TRACT AND METABOLISM,n1(CCC[N@@H+]2CC[C@@H](n3c4c([nH]c3=O)cc(cc4)Cl)CC2)c(=O)[nH]c2c1cccc2,426.91900000000004,3.5053,125.039,80.02,27,3,4,FGXWKSZFVQUSTL-UHFFFAOYSA-O,C22H25ClN5O2+,Clc1ccc2c(c1)[nH]c(=O)n2C1CC[NH+](CC1)CCCn1c(=O)[nH]c2c1cccc2,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/p+1",-5.9698,-4.6409,-4.6176,-4.5866,-4.5828,-4.5693,1.7602,1.7663,1.9134,1.9418,2.3378,D01745_A03FA03,8022420000000840100046000000000000000010000000000000004000600000100030000100802130010018000000c00102000000006000000000000000100004000c00c00032000000c4010e900002008801500c80200de00900800001200400000020000000008040000040001c0000060000000010000004000102800100,0100000000f001,020040020400000000000000000000000040040000048d00000000000000000000004640c02a04,000000001000012001d47686da67b1c3b5e36d6f1f,0,20,37,2,0,5,55,59,-11.334000000000001,-4.19,0,1.0,0.149442896,+,2.2798,-,2.2798,https://www.genome.jp/dbget-bin/www_bget?dr:D01745
671,D07868, Domperidone maleate, Propulsives,A03FA03,ALIMENTARY TRACT AND METABOLISM,n1(CCC[N@@H+]2CC[C@@H](n3c4c([nH]c3=O)cc(cc4)Cl)CC2)c(=O)[nH]c2c1cccc2,426.91900000000004,3.5053,125.039,80.02,27,3,4,FGXWKSZFVQUSTL-UHFFFAOYSA-O,C22H25ClN5O2+,Clc1ccc2c(c1)[nH]c(=O)n2C1CC[NH+](CC1)CCCn1c(=O)[nH]c2c1cccc2,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/p+1",-6.034,-4.6477,-4.6429,-4.5921,-4.585,-4.538,1.7194,1.7225,1.7258,1.9139,1.9362,D07868_A03FA03,8022420000000840100046000000000000000010000000000000004000600000100030000100802130010018000000c00102000000006000000000000000100004000c00c00032000000c4010e900002008801500c80200de00900800001200400000020000000008040000040001c0000060000000010000004000102800100,0100000000f001,020040020400000000000000000000000040040000048d00000000000000000000004640c02a04,000000001000012001d47686da67b1c3b5e36d6f1f,0,20,37,2,0,5,55,59,-11.335999999999999,-4.191,0,0.0,0.14950113,+,2.2798,-,2.2798,https://www.genome.jp/dbget-bin/www_bget?dr:D07868
672,D07101, Bromopride (INN), Propulsives,A03FA04,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(c(c1)C(=O)NCC[NH+](CC)CC)OC)N)Br,345.255,1.6665,86.2233,68.79,27,3,4,GIYAQDDTCWHPPL-UHFFFAOYSA-O,C14H23BrN3O2+,CC[NH+](CCNC(=O)c1cc(Br)c(cc1OC)N)CC,"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1",-5.9685,-5.1043,-5.0951,-4.6206,-4.5792,-4.5718,1.5976,1.6078,1.6126,2.5899,3.1723,D07101_A03FA04,000200080800048401200600000300080000008000084200000000c0000000000c0040020080002000860228000000400004020000000000000000020000000008200000410500810020000812880000008000c004002008400811000000004008140002000000020001020000100000000601840801002008a800a002400000,0500000050f021,0100420a04000000000080000a0000004001000000100000000000000000000000000240c02a00,000000000020210000407a1d896c3b6275f2fcff1f,0,6,36,1,0,8,43,43,-10.912,-4.037,0,0.0,0.005896200999999999,+,0.273,-,0.273,https://www.genome.jp/dbget-bin/www_bget?dr:D07101
673,D07102, Alizapride (INN), Propulsives,A03FA05,ALIMENTARY TRACT AND METABOLISM,c1(c(cc2c(c1)[nH]nn2)C(=O)NC[C@@H]1[N@@H+](CCC1)CC=C)OC,316.378,1.8897,92.2116,84.34,27,3,5,KSEYRUGYKHXGFW-LLVKDONJSA-O,C16H22N5O2+,C=CC[NH+]1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)/p+1/t11-/m1/s1",-6.0572,-5.9263,-4.6309,-4.5806,-4.1105,-3.8315,1.7932,1.8459999999999999,2.061,2.2585,2.6188,D07102_A03FA05,20024006008004a401000600000300090000009040082a00000000c0004002001c005002010080012086063800000200011206000000200004010002000000000c2004000105002100204100068800000088114000002008c00811100000000008140022000008061001020000101400000601040801102018b8000101000000,0500000050f001,1200420204000000000080000a0000004001000000009400000000000000000000004640c03a04,000000000200290031d436bf9d61b1eb07e3ecff1f,0,10,35,2,0,7,45,47,-11.917,-3.9330000000000003,2,1.0,0.006296220999999999,+,0.9571,-,0.9571,https://www.genome.jp/dbget-bin/www_bget?dr:D07102
674,D07563, Alizapride hydrochloride, Propulsives,A03FA05,ALIMENTARY TRACT AND METABOLISM,c1(c(cc2c(c1)[nH]nn2)C(=O)NC[C@@H]1[N@@H+](CCC1)CC=C)OC,316.378,1.8897,92.2116,84.34,27,3,5,KSEYRUGYKHXGFW-LLVKDONJSA-O,C16H22N5O2+,C=CC[NH+]1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)/p+1/t11-/m1/s1",-6.0458,-5.9145,-4.5836,-4.5563,-4.1371,-3.8215,1.6015,1.7723,1.8279,2.0705,2.5979,D07563_A03FA05,20024006008004a401000600000300090000009040082a00000000c0004002001c005002010080012086063800000200011206000000200004010002000000000c2004000105002100204100068800000088114000002008c00811100000000008140022000008061001020000101400000601040801102018b8000101000000,0500000050f001,1200420204000000000080000a0000004001000000009400000000000000000000004640c03a04,000000000200290031d436bf9d61b1eb07e3ecff1f,0,10,35,2,0,7,45,47,-11.918,-3.9330000000000003,2,1.0,0.007095609,+,0.9571,-,0.9571,https://www.genome.jp/dbget-bin/www_bget?dr:D07563
675,D03534, Clebopride (USAN), Propulsives,A03FA06,ALIMENTARY TRACT AND METABOLISM,c1ccc(cc1)C[N@@H+]1CC[C@@H](CC1)NC(=O)c1cc(c(cc1OC)N)Cl,374.884,4.4494,109.52600000000001,68.79,29,3,4,BVPWJMCABCPUQY-UHFFFAOYSA-O,C20H25ClN3O2+,COc1cc(N)c(cc1C(=O)NC1CC[NH+](CC1)Cc1ccccc1)Cl,"InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)/p+1",-6.0558,-5.8273,-5.1049,-5.0939,-4.6228,-4.6172,1.8315,1.8323,1.8882,2.0533,2.3865,D03534_A03FA06,00020200000004a411080600000300000000009000081000000400c0002000001c0050000000002000870a180000004001060200000000000004000200000000082000004104008100000008068800020088015004002008e809100000000000001400220000000600010200001000000006018008011020081c008902800000,0500000050f021,0200420a04000000000080000a0000004001000000040000000000000000000000000640c02a04,000000000000110000847a1fcb6431e375e3edff1f,0,12,40,1,0,6,51,53,-10.833,-3.8539999999999996,0,,0.072938651,+,0.9059,-,0.9059,https://www.genome.jp/dbget-bin/www_bget?dr:D03534
676,D01742, Clebopride malate (JP17), Propulsives,A03FA06,ALIMENTARY TRACT AND METABOLISM,c1ccc(cc1)C[N@@H+]1CC[C@@H](CC1)NC(=O)c1cc(c(cc1OC)N)Cl,374.884,4.4494,109.52600000000001,68.79,29,3,4,BVPWJMCABCPUQY-UHFFFAOYSA-O,C20H25ClN3O2+,COc1cc(N)c(cc1C(=O)NC1CC[NH+](CC1)Cc1ccccc1)Cl,"InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)/p+1",-6.0424,-5.8476,-5.1097,-5.0845,-4.5956,-4.5871,1.5934,1.817,1.8328,2.065,2.3316,D01742_A03FA06,00020200000004a411080600000300000000009000081000000400c0002000001c0050000000002000870a180000004001060200000000000004000200000000082000004104008100000008068800020088015004002008e809100000000000001400220000000600010200001000000006018008011020081c008902800000,0500000050f021,0200420a04000000000080000a0000004001000000040000000000000000000000000640c02a04,000000000000110000847a1fcb6431e375e3edff1f,0,12,40,1,0,6,51,53,-10.833,-3.853,0,0.0,0.072926059,+,0.8638,-,0.8638,https://www.genome.jp/dbget-bin/www_bget?dr:D01742
677,D08094, Itopride (INN), Propulsives,A03FA07,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,359.439,1.548,101.976,61.23,32,2,5,QQQIECGTIMUVDS-UHFFFAOYSA-O,C20H27N2O4+,COc1cc(ccc1OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1",-6.021,-4.6221,-4.6088,-4.5441,-4.167,-3.8462,1.4727,1.5773,1.5785,1.58,1.6887,D08094_A03FA07,000200000000048009000600000300000000008000002200000000c0000000000c8044000000001200860608000000800002020000000800000000020020000008800820015400010000000002c88000008000400000200040080000000000000010000200000402000000008010000002060100090100200808804400200004,0500000050f001,0000420204000000000080000a0000000001000000000000000000000000000000000240c02a00,00000000000001008002325888703d620cfaffff1f,0,12,41,1,0,10,53,54,-10.549000000000001,-4.471,0,1.0,0.011504314,+,0.6832,-,0.6832,https://www.genome.jp/dbget-bin/www_bget?dr:D08094
678,D02729, Itopride hydrochloride (JAN), Propulsives,A03FA07,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,359.439,1.548,101.976,61.23,32,2,5,QQQIECGTIMUVDS-UHFFFAOYSA-O,C20H27N2O4+,COc1cc(ccc1OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1",-6.0182,-4.6186,-4.6172,-4.5482,-4.1388,-3.8645,1.4694,1.5796,1.5826,1.5832,1.7243,D02729_A03FA07,000200000000048009000600000300000000008000002200000000c0000000000c8044000000001200860608000000800002020000000800000000020020000008800820015400010000000002c88000008000400000200040080000000000000010000200000402000000008010000002060100090100200808804400200004,0500000050f001,0000420204000000000080000a0000000001000000000000000000000000000000000240c02a00,00000000000001008002325888703d620cfaffff1f,0,12,41,1,0,10,53,54,-10.532,-4.47,0,,0.011413797,+,0.6832,-,0.6832,https://www.genome.jp/dbget-bin/www_bget?dr:D02729
679,D00456, Ondansetron (JAN/USP/INN), Serotonin (5HT3) antagonists,A04AA01,ALIMENTARY TRACT AND METABOLISM,c12c3c(n(c1CC[C@@H](C2=O)Cn1c(ncc1)C)C)cccc3,293.363,3.1285,87.3945,39.82,21,0,4,FELGMEQIXOGIFQ-CYBMUJFWSA-N,C18H19N3O,O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1",-3.9918,-1.1472,-0.8170000000000001,-0.6583,-0.6026,-0.5915,0.5109,0.5126,0.7077,0.7564,0.8884,D00456_A04AA01,2004c02000020cc04a08c600060000008000001000000008010000c0002004001c0450800040802158820618000170c00100000008246000060080860002000004000c0ae00002000088e0000098000c009081400c801008c01808000009500005010000002000010280100060530e001006815002111000005a80010a000100,14000000003001,070000000000010000000000000000004003000000009800000000000000000000004640403805,0000000020000000015414901949a84301e1bdaf1f,0,15,28,1,0,2,41,44,-8.871,-0.201,1,,0.230455086,+,1.5314,-,1.5314,https://www.genome.jp/dbget-bin/www_bget?dr:D00456
680,D00678, Ondansetron hydrochloride hydrate (JAN/, Serotonin (5HT3) antagonists,A04AA01,ALIMENTARY TRACT AND METABOLISM,c12c3c(n(c1CC[C@@H](C2=O)Cn1c(ncc1)C)C)cccc3,293.363,3.1285,87.3945,39.82,21,0,4,FELGMEQIXOGIFQ-CYBMUJFWSA-N,C18H19N3O,O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1",-3.9769,-1.1491,-0.8297,-0.6523,-0.6033,-0.5884,0.4438,0.5115,0.7252,0.757,0.8874,D00678_A04AA01,2004c02000020cc04a08c600060000008000001000000008010000c0002004001c0450800040802158820618000170c00100000008246000060080860002000004000c0ae00002000088e0000098000c009081400c801008c01808000009500005010000002000010280100060530e001006815002111000005a80010a000100,14000000003001,070000000000010000000000000000004003000000009800000000000000000000004640403805,0000000020000000015414901949a84301e1bdaf1f,0,15,28,1,0,2,41,44,-8.872,-0.2,1,-3.0,0.23024430899999998,+,1.5314,-,1.5314,https://www.genome.jp/dbget-bin/www_bget?dr:D00678
681,D04370, Granisetron (JAN/USAN/INN), Serotonin (5HT3) antagonists,A04AA02,ALIMENTARY TRACT AND METABOLISM,C1[C@@H]2[N@@H+]([C@H](CC1)C[C@@H](C2)NC(=O)c1c2c(n(n1)C)cccc2)C,313.41700000000003,2.8614,95.9929,51.36,28,2,4,MFWNKCLOYSRHCJ-BTTYYORXSA-O,C18H25N4O+,C[NH+]1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/p+1/t12-,13+,14-",-6.0362,-5.416,-4.8142,-4.6099,-4.6082,-4.604,1.6197,1.6217,1.9034,2.5533,2.6086,D04370_A04AA02,2063000000800ea411000600040100000000009000002200000000c0004030001c0070020008800018860f1c00000000010222000020600000008002000020000c200c000004000000006000028800000080115020003108e00910000008000008340022000000020200000000000c01000e010000011820081c000104000000,0500000000f001,0200400204000000000080000a000000000100000000980000000000000000000000c640c02a04,000000000000190001c414fe9369b88b15215daa1f,0,10,40,1,0,3,48,51,-11.155,-3.835,2,-3.0,0.00040423099999999996,+,0.9105,-,0.9105,https://www.genome.jp/dbget-bin/www_bget?dr:D04370
682,D00677, Granisetron hydrochloride (JAN/USAN), Serotonin (5HT3) antagonists,A04AA02,ALIMENTARY TRACT AND METABOLISM,C1[C@@H]2[N@@H+]([C@H](CC1)C[C@@H](C2)NC(=O)c1c2c(n(n1)C)cccc2)C,313.41700000000003,2.8614,95.9929,51.36,28,2,4,MFWNKCLOYSRHCJ-BTTYYORXSA-O,C18H25N4O+,C[NH+]1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/p+1/t12-,13+,14-",-6.0358,-5.4223,-4.8033,-4.6059,-4.6037,-4.6034,1.6176,1.6187,1.9053,2.5611,2.6085,D00677_A04AA02,2063000000800ea411000600040100000000009000002200000000c0004030001c0070020008800018860f1c00000000010222000020600000008002000020000c200c000004000000006000028800000080115020003108e00910000008000008340022000000020200000000000c01000e010000011820081c000104000000,0500000000f001,0200400204000000000080000a000000000100000000980000000000000000000000c640c02a04,000000000000190001c414fe9369b88b15215daa1f,0,10,40,1,0,3,48,51,-11.154000000000002,-3.833,2,,0.000404144,+,0.9105,-,0.9105,https://www.genome.jp/dbget-bin/www_bget?dr:D00677
683,D02130, Tropisetron (INN), Serotonin (5HT3) antagonists,A04AA03,ALIMENTARY TRACT AND METABOLISM,O([C@H]1C[C@@H]2[N@H+]([C@H](C1)CC2)C)C(=O)c1c2c([nH]c1)cccc2,285.361,3.102,86.7729,46.53,23,2,2,ZNRGQMMCGHDTEI-ITGUQSILSA-O,C17H21N2O2+,C[NH+]1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2,"InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13+",-6.0356,-5.4204,-4.6229,-4.577,-4.5769,-3.6402,1.5467,1.5469,1.5476,1.5496,1.5619999999999998,D02130_A04AA03,20220002000206c00600060000020004001000100000080800200080010404001c00508080008021388a0218200000c0010200000020e100000000020100a2000c100c02400000000000c900028800000080015004002000c008000000014010040000200000000010c0000010100c0010070100000110000018800102000000,0500000030f005,02004002040000000000900000000000400300000000840000000000000000000000c640c03204,0000040000000100010414969349a8e70d61cdfa1f,0,10,34,1,0,3,42,45,-11.394,-4.1080000000000005,2,,0.005913014,+,1.1737,-,1.1737,https://www.genome.jp/dbget-bin/www_bget?dr:D02130
684,D02041, Tropisetron hydrochloride (JAN), Serotonin (5HT3) antagonists,A04AA03,ALIMENTARY TRACT AND METABOLISM,O([C@H]1C[C@@H]2[N@H+]([C@H](C1)CC2)C)C(=O)c1c2c([nH]c1)cccc2,285.361,3.102,86.7729,46.53,23,2,2,ZNRGQMMCGHDTEI-ITGUQSILSA-O,C17H21N2O2+,C[NH+]1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2,"InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13+",-6.0355,-5.4219,-4.6161,-4.5767,-4.5737,-3.6356,1.5449,1.5453,1.5458,1.5496,1.5601,D02041_A04AA03,20220002000206c00600060000020004001000100000080800200080010404001c00508080008021388a0218200000c0010200000020e100000000020100a2000c100c02400000000000c900028800000080015004002000c008000000014010040000200000000010c0000010100c0010070100000110000018800102000000,0500000030f005,02004002040000000000900000000000400300000000840000000000000000000000c640c03204,0000040000000100010414969349a8e70d61cdfa1f,0,10,34,1,0,3,42,45,-11.399000000000001,-4.107,2,,0.005925146,+,1.1737,-,1.1737,https://www.genome.jp/dbget-bin/www_bget?dr:D02041
685,D07867, Dolasetron (INN), Serotonin (5HT3) antagonists,A04AA04,ALIMENTARY TRACT AND METABOLISM,O([C@H]1C[C@H]2[N@H+]3[C@H](C[C@@H](C2)C(=O)C3)C1)C(=O)c1c2c([nH]c1)cccc2,325.382,2.6711,94.4729,63.6,24,2,3,UKTAZPQNNNJVKR-KPWCQOOUSA-O,C19H21N2O3+,O=C1C[NH+]2C3CC1CC2CC(C3)OC(=O)c1c[nH]c2c1cccc2,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/p+1/t11-,12+,13-,14+",-6.0313,-5.403,-5.0360000000000005,-4.3233,-3.9017,-3.6345,1.5431,1.5802,1.7515,1.9188,1.9388,D07867_A04AA04,20228002004206c00600060000020004000000100000080800200080010404001c00508080008021388a0218200000c0010200000020e100000000020100a2000c100c02400000800000c9000a88000600b0015004002000c008000000014010040000200000000000c0000010100c0010070100000110000018800102000300,1500000030f005,06004002040001000000900000000000400300000000840000000000000000000000c640c03a05,0000000000000100010016c49b4180e78d61cb7b1f,0,10,37,2,0,3,45,49,-10.944,-4.166,2,0.0,0.006909022,+,1.4524,-,1.4524,https://www.genome.jp/dbget-bin/www_bget?dr:D07867
686,D00725, Dolasetron mesylate (USP), Serotonin (5HT3) antagonists,A04AA04,ALIMENTARY TRACT AND METABOLISM,O([C@H]1C[C@H]2[N@H+]3[C@H](C[C@@H](C2)C(=O)C3)C1)C(=O)c1c2c([nH]c1)cccc2,325.382,2.6711,94.4729,63.6,24,2,3,UKTAZPQNNNJVKR-KPWCQOOUSA-O,C19H21N2O3+,O=C1C[NH+]2C3CC1CC2CC(C3)OC(=O)c1c[nH]c2c1cccc2,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/p+1/t11-,12+,13-,14+",-6.0326,-5.3801,-5.0293,-4.3301,-3.8905,-3.6475,1.544,1.5797,1.7587,1.9246,1.9387,D00725_A04AA04,20228002004206c00600060000020004000000100000080800200080010404001c00508080008021388a0218200000c0010200000020e100000000020100a2000c100c02400000800000c9000a88000600b0015004002000c008000000014010040000200000000000c0000010100c0010070100000110000018800102000300,1500000030f005,06004002040001000000900000000000400300000000840000000000000000000000c640c03a05,0000000000000100010016c49b4180e78d61cb7b1f,0,10,37,2,0,3,45,49,-10.93,-4.1610000000000005,2,0.0,0.006898025,+,1.4524,-,1.4524,https://www.genome.jp/dbget-bin/www_bget?dr:D00725
687,D07175, Palonosetron (INN), Serotonin (5HT3) antagonists,A04AA05,ALIMENTARY TRACT AND METABOLISM,N1(C(=O)c2c3[C@@H](C1)CCCc3ccc2)[C@@H]1C[N@H+]2CC[C@@H]1CC2,297.415,2.7465,95.9602,24.75,27,1,2,CPZBLNMUGSZIPR-NVXWUHKLSA-O,C19H25N2O+,O=C1N(CC2c3c1cccc3CCC2)C1C[NH+]2CCC1CC2,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/p+1/t15-,17-/m1/s1",-6.0438,-4.5994,-4.5746,-4.5483,-3.7015,-3.6369,1.5588,1.5629,1.5704,2.2397,2.3567,D07175_A04AA05,00260000000004a0030086000201000c0000009000400008010000c0000000001c00508301400001508626380001c20001020000002400002000000200020000080008082004000000202000828800000080835000003008c00a0900800820000d10002200000010028000002100000000060114020110000038000108000000,0500000000f001,06004002040000000000800020000000000100000000000000000000000000000000c640c03204,00000000000001200044320c9a61b0c311e36d2b1f,0,6,44,1,0,1,47,51,-12.06,-3.6430000000000002,2,1.0,0.027871335,-,1.3523,-,1.3523,https://www.genome.jp/dbget-bin/www_bget?dr:D07175
688,D05343, Palonosetron hydrochloride (JAN/USAN), Serotonin (5HT3) antagonists,A04AA05,ALIMENTARY TRACT AND METABOLISM,N1(C(=O)c2c3[C@@H](C1)CCCc3ccc2)[C@@H]1C[N@H+]2CC[C@@H]1CC2,297.415,2.7465,95.9602,24.75,27,1,2,CPZBLNMUGSZIPR-NVXWUHKLSA-O,C19H25N2O+,O=C1N(CC2c3c1cccc3CCC2)C1C[NH+]2CCC1CC2,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/p+1/t15-,17-/m1/s1",-6.0438,-4.5994,-4.5746,-4.5483,-3.7015,-3.6369,1.5588,1.5629,1.5704,2.2397,2.3567,D05343_A04AA05,00260000000004a0030086000201000c0000009000400008010000c0000000001c00508301400001508626380001c20001020000002400002000000200020000080008082004000000202000828800000080835000003008c00a0900800820000d10002200000010028000002100000000060114020110000038000108000000,0500000000f001,06004002040000000000800020000000000100000000000000000000000000000000c640c03204,00000000000001200044320c9a61b0c311e36d2b1f,0,6,44,1,0,1,47,51,-12.064,-3.6460000000000004,2,0.0,0.027871335,-,1.3523,-,1.3523,https://www.genome.jp/dbget-bin/www_bget?dr:D05343
689,D00138, Scopolamine (INN), Other antiemetics,A04AD01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H](O2)[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-5.9905,-4.6435,-4.4376,-4.1754,-4.1683,-3.3528,1.7274,1.8111,1.8459,2.1609,2.5504,D00138_A04AD01,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.179,-4.296,5,,0.0006203480000000001,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D00138
690,D00138, Scopolamine (INN), Other hypnotics and sedatives,N05CM05,NERVOUS SYSTEM,[C@H]12[C@@H](O2)[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-6.0423,-5.4110000000000005,-5.4059,-4.6131,-4.3735,-2.9956,1.5788,1.7082,1.7127,1.8155,1.8168,D00138_N05CM05,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.179,-4.296,5,,0.0006203480000000001,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D00138
691,D00138, Scopolamine (INN), Anticholinergics,S01FA02,SENSORY ORGANS,[C@H]12[C@@H](O2)[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-6.042000000000001,-5.4118,-5.4057,-4.6287,-4.4333,-2.9888,1.705,1.7109,1.7886,1.8186,1.8217,D00138_S01FA02,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.179,-4.296,5,,0.0006203480000000001,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D00138
692,D02071, Scopolamine hydrobromide (USP), Other antiemetics,A04AD01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H](O2)[C@H]2[N@@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-6.0396,-5.4402,-5.4323,-4.6623,-4.4493,-2.9847,1.6195,1.6608,1.6689,1.8886,1.8903,D02071_A04AD01,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.138,-4.24,5,1.0,0.00076857,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D02071
693,D02071, Scopolamine hydrobromide (USP), Other hypnotics and sedatives,N05CM05,NERVOUS SYSTEM,[C@H]12[C@@H](O2)[C@H]2[N@@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-6.0404,-5.4442,-5.4322,-4.6615,-4.415,-2.984,1.6645,1.6689,1.88,1.886,1.8906,D02071_N05CM05,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.138,-4.24,5,1.0,0.00076857,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D02071
694,D02071, Scopolamine hydrobromide (USP), Anticholinergics,S01FA02,SENSORY ORGANS,[C@H]12[C@@H](O2)[C@H]2[N@@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)C,304.361,1.0702,84.4415,63.5,26,2,4,STECJAGHUSJQJN-FWXGHANASA-O,C17H22NO4+,OCC(c1ccccc1)C(=O)OC1CC2[NH+](C(C1)C1C2O1)C,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1",-6.0395,-5.4431,-5.4353,-4.6707,-4.3931,-2.9753,1.6251,1.6611,1.6665,1.8928,1.8933,D02071_S01FA02,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,069840020400000000009000000000000000000000000000000000000000000000004e00c02a05,0080240000000101000416d5935188e70c4dcbff1f,0,6,40,1,0,5,44,47,-12.138,-4.24,5,1.0,0.00076857,+,1.85,-,1.85,https://www.genome.jp/dbget-bin/www_bget?dr:D02071
695,D07103, Cerium oxalate, Other antiemetics,A04AD02,ALIMENTARY TRACT AND METABOLISM,OC(=O)C(=O)O,90.0349,-0.8444,15.2716,74.6,4,2,4,MUBZPKHOEPUJKR-UHFFFAOYSA-N,C2H2O4,OC(=O)C(=O)O,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",-5.0607,-4.9864,-4.8688,-4.8434,-2.8335,-2.7651,2.274,2.3409999999999997,2.3696,2.6926,2.7861,D07103_A04AD02,00000000000000000000000000000000000000000000000000000000000000000000000000000004000a0000000000000000000000000000000000000000000008000800000000000000000000800000004000400000000000000000000000040000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,000000000000000000008800000000200000000000000000000000000000000000000040402800,00000000000020008000000000000004840c025208,0,0,5,2,0,1,8,7,1.631,12.182,0,0.0,1.6877299999999998e-28,+,1.3081,-,1.3081,https://www.genome.jp/dbget-bin/www_bget?dr:D07103
696,D01942, Chlorobutanol (JP17/NF/INN), Other antiemetics,A04AD04,ALIMENTARY TRACT AND METABOLISM,ClC(C(C)(O)C)(Cl)Cl,177.457,2.1275,36.9678,20.23,8,1,1,OSASVXMJTNOKOY-UHFFFAOYSA-N,C4H7Cl3O,CC(C(Cl)(Cl)Cl)(O)C,"InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",-3.408,-2.0219,-2.0158,-2.008,-1.8931,-0.64,0.6916,0.813,0.8937,0.9109999999999999,1.9118,D01942_A04AD04,0000020000000000000000000000000000000000000000000000000840000000100000000000000000010000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000a00,0000004c00a000,814800000000000000000000000000000000000000000000000000000000000000000000402000,000000000000000002020000408600002004909008,0,0,14,0,0,1,15,14,-11.547,-0.539,0,,,-,0.8473,-,0.8473,https://www.genome.jp/dbget-bin/www_bget?dr:D01942
697,D05010, Metopimazine (USAN/INN), Other antiemetics,A04AD05,ALIMENTARY TRACT AND METABOLISM,c12N(c3c(Sc1cccc2)ccc(c3)S(=O)(=O)C)CCC[N@@H+]1CC[C@@H](CC1)C(=O)N,446.606,5.2784,128.062,118.59,34,2,5,BQDBKDMTIJBJLA-UHFFFAOYSA-O,C22H28N3O3S2+,NC(=O)C1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C,"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)/p+1",-7.7798,-7.7396,-6.0479,-4.8234,-4.6161,-4.5899,2.0355,2.089,2.0992,2.1159,2.4248,D05010_A04AD05,2022810000a00001100006010082000080000010100820020001000000400000190018080000802000060018020010e00122000202002008000000200010040402000000400122a000010000028000042090037004606000e0090000002020000000002010100000002002000002042000069000000012000006c00102500200,0500000000f121,060050020500000000008000060000000000000000000000800000000000000000004640c02a05,000000000800459e0485bb1ebae1b08bc7a34fef1f,0,12,46,3,0,6,58,61,-10.578,-4.001,0,-1.0,0.23372951100000003,-,1.9269,-,1.9269,https://www.genome.jp/dbget-bin/www_bget?dr:D05010
698,D00306, Dronabinol (USP/INN), Other antiemetics,A04AD10,ALIMENTARY TRACT AND METABOLISM,[C@H]12c3c(OC([C@@H]1CCC(=C2)C)(C)C)cc(cc3O)CCCCC,314.462,5.7358,97.90899999999999,29.46,32,1,2,CYQFCXCEBYINGO-IAGOWNOFSA-N,C21H30O2,CCCCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",-1.0143,-0.7717,-0.7143,-0.5712,-0.5152,-0.5015,0.4591,0.4858,0.541,0.573,0.7826,D00306_A04AD10,000400000000022402400300020301000000008000404000000000c00000200010044000408000010000000800010000012a020000206800208010220000800008200800010400118000a02002008200408800400000100848089800000904000206000001000042000080c200100800020301800a010020180000c301000004,0000000452b001,170002000000000000000000000000000000000000010000000000000000000000004600402004,0000000000000201020a000516892f4001d595d41e,0,6,48,1,0,4,53,55,-8.883,0.64,2,,0.7334608440000001,+,1.3456,-,1.3456,https://www.genome.jp/dbget-bin/www_bget?dr:D00306
699,D05099, Nabilone (USAN/INN), Other antiemetics,A04AD11,ALIMENTARY TRACT AND METABOLISM,[C@H]12c3c(OC([C@@H]1CCC(=O)C2)(C)C)cc(cc3O)C(CCCCCC)(C)C,372.541,6.263999999999999,112.887,46.53,39,1,3,GECBBEABIDMGGL-RTBURBONSA-N,C24H36O3,CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",-2.9921,-1.0142,-0.7862,-0.6561,-0.4755,-0.4622,0.4619,0.4815,0.4864,0.5521,0.5768,D05099_A04AD11,000400000000020002400300020301000000000000000000000000c00008000010044000400000010002000800010000010a020008204802008000220000800008200800010000118000a0202a808004409800400000100840080800000900000002000000000046000000c200100800000301000a0100201800004301000104,1400000452b001,0f0002000000010000000000000000000000000000010000000000000000000000004600402805,00000000000000010202000512892fc009d597d61e,0,6,58,1,0,6,63,65,-9.189,0.38,2,1.0,0.849800289,+,1.7977,-,1.7977,https://www.genome.jp/dbget-bin/www_bget?dr:D05099
700,D02968, Aprepitant (JAN/USAN/INN), Other antiemetics,A04AD12,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@@H]([N@H+](CCO1)Cc1[nH]c(=O)[nH][nH]1)c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C,536.443,5.3184,120.745,87.34,26,4,3,HMQWJSXPGNDRFD-OITMNORJSA-O,C23H23F7N4O3+,Fc1ccc(cc1)C1C(OCC[NH+]1Cc1[nH][nH]c(=O)[nH]1)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C,"InChI=1S/C23H22F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20,32H,6-7,11H2,1H3,(H2,31,33,35)/p+1/t12-,19+,20-/m1/s1",-6.0429,-5.7035,-5.2372,-4.7178,-4.5092,-4.4838,2.7425,2.8126,2.9208,3.2951,3.2993,D02968_A04AD12,000701020400144003808e0002030008010000b400000900002010c000042010180040020080005320840328200001000200104000001004800100025000001818012802081434200030610102a80000028000401010300c700c0900000120004a30000a0014010010400000d1000008000e01860001100000200d000c000000,0100000030f041,010140020400804003000000000000000040000400080000000000000000000000000600e02a04,000000003006392118d476e68bf6b06f2d63efff1f,7,12,51,1,0,8,61,64,-14.481,-9.94,4,1.0,9.50171e-05,-,2.5798,-,2.5798,https://www.genome.jp/dbget-bin/www_bget?dr:D02968
701,D06597, Fosaprepitant dimeglumine (USAN), Other antiemetics,A04AD12,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@@H]([N@H+](CCO1)Cc1[nH]c(=O)n([nH]1)P(=O)(O)O)c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C,616.422,4.7326,131.826,143.82,28,5,7,IVYOYGSMKFGXHB-OITMNORJSA-O,C23H24F7N4O6P+,Fc1ccc(cc1)C1C(OCC[NH+]1Cc1[nH]c(=O)n([nH]1)P(=O)(O)O)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C,"InChI=1S/C23H23F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20,32H,6-7,11H2,1H3,(H,31,35)(H2,36,37,38)/p+1/t12-,19+,20-/m1/s1",-10.3812,-10.3466,-10.1509,-6.0384,-5.6603,-5.2196,3.2679,3.5113,3.8383,4.9698,4.9986,D06597_A04AD12,008701020420144603848e000203400c018001f40018c900002010c00004201018004002108001532084032e200001600200104000001604800100027000001818012802081434200030630102a80000028000401410300c780c1900010120026a30000a1814010010400000f3000008000e01860001102040600d460c000000,0100000030f041,010140020400804003000000000000000040000400080000000000000000200000000600e02a04,000000103086392130d476e5abf6b06faf6fefff1f,7,12,55,2,0,9,66,69,-6.88,-3.236,4,-1.0,0.042928919,-,3.2769,-,3.2769,https://www.genome.jp/dbget-bin/www_bget?dr:D06597
702,D06574, Casopitant mesylate (USAN), Other antiemetics,A04AD13,ALIMENTARY TRACT AND METABOLISM,c1c(c(ccc1F)[C@@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)[NH+]1CCN(CC1)C(=O)C)C,617.621,6.6822,158.974,48.3,41,1,5,XGGTZCKQRWXCHW-KAZGAHJFSA-O,C30H36F7N4O2+,Fc1ccc(c(c1)C)C1CC(CCN1C(=O)N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)[NH+]1CCN(CC1)C(=O)C,"InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/p+1/t19-,25+,27+/m1/s1",-6.031000000000001,-4.6924,-4.5875,-4.5123,-4.4616,-4.4388,2.3458,2.375,2.5421,2.5604,3.1018,D06574_A04AD13,0006008000001c201b800600020100080100009000400008010000c000000100180150022140000010860d38000102800102100040200000800100020040000008000c02a004000000302001029800000280015000003009f02908000008000008300022040400101000000001000000000e01160201100000368b0100000000,0500000000f041,030140020400000000008000120000000040040000080000000000000000000000000600e02a05,000000001002012000d4721e8aeeb883b1b37deb1f,7,12,68,2,0,9,79,82,-11.998,-4.245,3,0.0,0.123796821,-,3.7374,-,3.7374,https://www.genome.jp/dbget-bin/www_bget?dr:D06574
703,D00163, Chenodiol (USAN), Bile acid preparations,A05AA01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)C[C@@H](CC4)O)C)CC[C@@]1([C@H](CC2)[C@@H](CCC(=O)O)C)C,392.57199999999995,4.4779,112.601,77.76,43,3,4,RUDATBOHQWOJDD-BSWAIDMHSA-N,C24H40O4,OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",-4.5474,-4.4574,-1.923,-1.922,-1.3338,-0.7125,0.6604,0.8236,0.8256,1.0595,2.3680000000000003,D00163_A05AA01,00000000000002000000000100000000000000000000000000000000000000001000000000000001000a0000000000000100000000204002000000000000000008000800000000000000800208800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400002c00a003,0f2800000000000000008800000000000000000000000000000000000000000000004000402804,00000000000000000200008690892cc40d5cb7d61c,0,0,70,1,0,4,68,71,-4.24,4.35,10,1.0,0.00040943699999999996,-,1.8974,-,1.8974,https://www.genome.jp/dbget-bin/www_bget?dr:D00163
704,D00734, Ursodiol (USP), Bile acid preparations,A05AA02,ALIMENTARY TRACT AND METABOLISM,C1[C@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H]([C@H](C2)O)[C@H]2[C@](CC1)([C@H](CC2)[C@H](C)CCC(=O)O)C)C)O,392.57199999999995,4.4779,112.601,77.76,43,3,4,RUDATBOHQWOJDD-UZVSRGJWSA-N,C24H40O4,OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",-4.5736,-4.4387,-1.9219,-1.9202,-1.3362,-0.8417,0.8243,0.825,0.8729,1.0104,2.3731,D00734_A05AA02,00000000000002000000000100000000000000000000000000000000000000001000000000000001000a0000000000000100000000204002000000000000000008000800000000000000800208800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400002c00a003,0f2800000000000000008800000000000000000000000000000000000000000000004000402804,00000000000000000200008690892cc40d5cb7d61c,0,0,70,1,0,4,68,71,-4.191,4.356,10,0.0,0.000362687,-,1.8974,-,1.8974,https://www.genome.jp/dbget-bin/www_bget?dr:D00734
705,D09360, Obeticholic acid (JAN/USAN/INN), Bile acid preparations,A05AA04,ALIMENTARY TRACT AND METABOLISM,C1[C@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H]([C@@H]([C@@H]2CC)O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CCC(=O)O)C)C)C)O,420.625,5.114,122.215,77.76,47,3,4,ZXERDUOLZKYMJM-ZWECCWDJSA-N,C26H44O4,CCC1C(O)C2C3CCC(C3(C)CCC2C2(C1CC(O)CC2)C)C(CCC(=O)O)C,"InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1",-4.5751,-4.3965,-1.9442,-1.9435,-1.9247,-1.3324,1.155,1.2574,1.6357,1.8869,2.3611,D09360_A05AA04,00000000000002000000000100000000000000000000000000000000000000001000000000000001000a0000000000000100000000204002000000000000000008000800000000000000800208800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400002c00a003,0f2800000000000000008800000000000000000000000000000000000000000000004000402804,00000000000000000200008690892ec40d5cb7d61c,0,0,76,1,0,5,74,77,-4.189,4.478,11,1.0,0.004147023,-,2.0566,-,2.0566,https://www.genome.jp/dbget-bin/www_bget?dr:D09360
706,D05489, Piprozolin (USAN/INN), Other drugs for bile therapy,A05AX01,ALIMENTARY TRACT AND METABOLISM,N1(C(=O)[C@H](S/C/1=C/C(=O)OCC)[NH+]1CCCCC1)CC,299.409,1.8882,88.3707,76.35,28,1,5,UAXYBJSAPFTPNB-VNDWYCCKSA-O,C14H23N2O3S+,CCN1C(=CC(=O)OCC)SC(C1=O)[NH+]1CCCCC1,"InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/p+1/b11-10+/t14-/m0/s1",-7.1032,-6.0497,-4.7860000000000005,-4.5703,-4.5703,-3.8035,1.8231,2.2685,2.2694,2.485,2.4927,D05489_A05AX01,9002098310400204012044400032000b500104100040000020000020002402841800100601000040040e0030008000006902000050200300010200001024020488000800000000a000200c0002e0084a00a00150021120468040018200040001048410202000000a00080000000001000006300c004010a00004000100004000,0500000030e105,030000000000000000009000200000004002000000000000000000000000000000000440c06a04,000010000850012000ccb7ce8f70b2e791637eff1d,0,0,41,3,0,5,43,44,-12.710999999999999,-4.569,1,1.0,0.005199283,-,0.7494,-,0.7494,https://www.genome.jp/dbget-bin/www_bget?dr:D05489
707,D00170, Hymecromone (JP17/USAN/INN), Other drugs for bile therapy,A05AX02,ALIMENTARY TRACT AND METABOLISM,c12c(c(cc(=O)o1)C)ccc(c2)O,176.169,1.807,49.473,50.44,10,1,3,HSHNITRMYYLLCV-UHFFFAOYSA-N,C10H8O3,Oc1ccc2c(c1)oc(=O)cc2C,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",-4.7322,-1.7094,-0.9371,-0.902,-0.6816,-0.4841,0.479,0.4884,0.6235,0.68,0.7066,D00170_A05AX02,000000000000000000080201002000020000100830000000000000800000000800005800080000000800000800400000000202000000000840000002000000000800000080000000800020000284004000804040000000044008004000400a020002004000000002200040001002050000020100000108200800200000000000,0000000402b001,01000000000000000000a00000000000000100000001a100000000000000000000004640401000,00000000000000010000000112010144004583d21e,0,11,10,1,0,0,21,22,-9.385,-0.917,0,1.0,0.04288128,+,0.3152,-,0.3152,https://www.genome.jp/dbget-bin/www_bget?dr:D00170
708,D07104, Cyclobutyrol (INN), Other drugs for bile therapy,A05AX03,ALIMENTARY TRACT AND METABOLISM,C1CCCC(C1)(O)[C@H](CC)C(=O)O,186.248,1.7924,51.0416,57.53,20,2,3,NIVFTEMPSCMWDE-MRVPVSSYSA-N,C10H18O3,CCC(C1(O)CCCCC1)C(=O)O,"InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)/t8-/m1/s1",-4.5615,-4.4323,-2.8457,-2.1813,-1.9016,-1.3387,1.0331,1.1221,1.3392,2.3683,2.4391,D07104_A05AX03,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204003000000000000000008000800000000000000800008800014001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400004c00a003,074800000000000000008800000000000000000000000000000000000000000000000000402804,000000000000100002000007808822c40d4486d61c,0,0,30,1,0,3,31,31,-4.406000000000001,6.695,1,0.0,1.92489e-06,-,0.7514,-,0.7514,https://www.genome.jp/dbget-bin/www_bget?dr:D07104
709,D02397, Arginine glutamate (USAN), Liver therapy,A05BA01,ALIMENTARY TRACT AND METABOLISM,C(CCNC(=[NH2])N)[C@@H](C(=O)O)[NH3+],176.217,-0.6501,46.7554,129.01,20,5,4,ZGXZWDXIKAVAMI-BYPYZUCNSA-O,C6H16N4O2+,NC(=[NH2])NCCCC(C(=O)O)[NH3+],"InChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,10H,1-3,7-9H2,(H,11,12)/p+1/t4-/m0/s1",-12.5311,-12.5007,-10.8361,-6.2016,-6.1869,-6.1782,3.783,3.7927,3.8845,5.0089999999999995,5.0831,D02397_A05BA01,00020000000008800000040010000000000000100000004000000000000000001000100000000003000a01100000000001000000000040000000000000000000080018000000000000000001109000040030034000002000820000000002200000200000000000000000000000000800000c0000000010000000000100000100,0500000c00e002,0200c0000400000000008800000000100040000000000000000000000000000000000000c02a04,000000010004210000300a46884260040424447f09,0,0,25,2,0,6,28,27,-11.001,-5.607,1,0.0,,+,0.8167,-,0.8167,https://www.genome.jp/dbget-bin/www_bget?dr:D02397
710,D08515, Silibinin (INN), Liver therapy,A05BA03,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(c2cc(c(cc2)O)OC)[C@H](Oc2c(O1)cc(cc2)[C@H]1Oc2c(C(=O)[C@@H]1O)c(cc(c2)O)O)CO,482.436,2.3627,120.55,155.14,32,5,10,SEBFKMXJBCUCAI-HKTJVKLFSA-N,C25H22O10,OCC1Oc2ccc(cc2OC1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)C1O)O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",-2.8232,-2.3302,-2.0869,-1.9182,-1.7414,-1.6854,1.1422,1.2628,1.3557,1.3673,1.6705,D08515_A05BA03,40050000000000c00a400300000301000000800000085200002000c0004800001410c00a600000052002020800010000010a02000a004805008000020000000808a00a02050024118000212002c0801460d100400000100848080801102900004082000000020442004022c241100000000321000b0100201808004b01100004,1400003c52b001,00380200000001000000000000000000c001000000010000000000000000000000004640403804,000000000000102180000211121181600ccda3d71e,0,18,42,1,0,4,57,61,-9.526,-0.47100000000000003,4,0.0,0.62285918,+,2.3158,-,2.3158,https://www.genome.jp/dbget-bin/www_bget?dr:D08515
711,D07105, Citiolone (INN), Liver therapy,A05BA04,ALIMENTARY TRACT AND METABOLISM,S1CC[C@@H](C1=O)NC(=O)C,159.20600000000002,0.5455,39.6347,71.47,13,1,4,NRFJZTXWLKPZAV-YFKPBYRVSA-N,C6H9NO2S,CC(=O)NC1CCSC1=O,"InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)/t5-/m0/s1",-4.369,-4.3599,-3.8273,-3.8080000000000003,-2.7975,-2.6064,1.3794,1.4227,1.4669,2.102,2.2198,D07105_A05BA04,0002010300400020210004000000000000000000004000000000000000000000180000040003000000060010000000400103000020000000000000000010000400000000000000000001040006800106003100400000200041400002000000800000000000000000000000000000000044041008000012200011004000000000,0400000000a101,0300000000000000000080040a0000000000000000000000000000000000000000000400402804,0000000008000000000085ce80683040904164eb19,0,0,17,2,0,2,19,19,-9.645,-0.153,1,1.0,0.009550456,-,0.7053,-,0.7053,https://www.genome.jp/dbget-bin/www_bget?dr:D07105
712,D00157, Glycyrrhizin (JAN), Liver therapy,A05BA08,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C)C)(C)C)O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)[C@H]([C@@H]([C@H](O1)C(=O)O)O)O,822.932,2.2456,202.84,267.04,75,8,16,LPLVUJXQOOQHMX-MOGLOQIBSA-N,C42H62O16,OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1",-4.5709,-4.5512,-4.4778,-4.4679,-4.4222,-4.4206,2.3738,2.3776,2.3937,2.3947,2.4691,D00157_A05BA08,000000000000a2240000000000020000200000a40040400000000000000420001400000800800005800a0000200010000100000000a04113200000800000800008902a2800040000000080022880021400d000400000000028801001002020014204000880280000000000004000288000018100000000000000000140000500,1400002c30a003,1f2800000001814000008800000000000001000000000000000000000000000000004477407805,0000000200003201820a00071689ace48d5db7d21c,0,0,121,5,0,7,120,126,-2.035,5.751,19,,4.44843e-08,-,19.3425,-,19.3425,https://www.genome.jp/dbget-bin/www_bget?dr:D00157
713,D00305, Docusate sodium (USP)," Softeners, emollients",A06AA02,ALIMENTARY TRACT AND METABOLISM,[C@H](C(=O)OC[C@@H](CCCC)CC)(CC(=O)OC[C@@H](CCCC)CC)S(=O)(=O)O,422.577,5.2329,111.36,115.35,44,1,7,HNSDLXPSAYFUHK-KZNAEPCWSA-N,C20H38O7S,CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC,"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)/t16-,17-,18-/m1/s1",-9.1067,-8.767000000000001,-8.4158,-4.4235,-4.4113,-3.2110000000000003,2.412,2.574,2.6308,3.2825,4.6662,D00305_A06AA02,a0000105000102000260010202020000402000002000000020000000000c00001000140000040001040a0000200000000100400000604010000100000000c200081008000000008002008400008000044090004001300000000000000000000000020000000000000000000000002c0000035100010100000000000540000400,0400000030a004,070000000000000000009000000000000000000000000000000022000000000000000000402805,00000000c080441a14018103209a2eac8b1e1ed708,0,0,61,4,0,18,66,65,-7.017,4.05,3,,,+,1.4037,-,1.4037,https://www.genome.jp/dbget-bin/www_bget?dr:D00305
714,D08326, Oxyphenisatine (INN), Contact laxatives,A06AB01,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2)O,317.33799999999997,3.5223,94.6377,69.56,19,3,4,SJDACOMXKWHBOW-UHFFFAOYSA-N,C20H15NO3,Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2,"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)",-3.8072,-3.2251,-2.8895,-1.6018,-1.589,-1.1595,0.6589,0.6618,0.773,1.4355,1.9455,D08326_A06AB01,000600200020000003000600808000048010004010001200000200a000000000110040810020002000062018000010400000020000000008010000020080040008000000400102400000100002800001009000402400280840080800000000000000000100000002000008002000002000060100000110200800000002400000,0400000402b001,080000000000000000008000200000000000000000010000000000000000000000004600402800,00000000000000200200048810a1114144c5e37a1f,0,18,23,1,0,2,39,42,-9.282,0.106,0,0.0,0.547612667,+,0.8819,-,0.8819,https://www.genome.jp/dbget-bin/www_bget?dr:D08326
715,D05320, Oxyphenisatin acetate (USAN), Contact laxatives,A06AB01,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)C1(c2ccc(cc2)OC(=O)C)C(=O)Nc2c1cccc2)OC(=O)C,401.411,3.9617,113.59,81.7,25,1,6,PHPUXYRXPHEJDF-UHFFFAOYSA-N,C24H19NO5,CC(=O)Oc1ccc(cc1)C1(c2ccc(cc2)OC(=O)C)C(=O)Nc2c1cccc2,"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)",-4.444,-4.3831,-3.8095,-3.2198,-2.8896,-1.6019999999999999,0.7731,0.8098,0.8112,1.4344,1.9453,D05320_A06AB01,000600300020000003000600808200048010004010001200000200a0000000001100408100200030000e2018000010400000020000000008010000020080060008000800410103410000100002808001009000402400280840080800000000000000000100000402000008002010002000060100080110200800000002400004,0400000050b005,090000000000000000009000200000000000000000000000000000000000000000004600402801,00000000000000200200048810a11165c0c9f3fa1f,0,18,31,3,0,6,49,52,-9.334,-0.04,0,-1.0,0.8558159470000001,+,1.6457,-,1.6457,https://www.genome.jp/dbget-bin/www_bget?dr:D05320
716,D00245, Bisacodyl (JP17/USP/INN), Contact laxatives,A06AB02,ALIMENTARY TRACT AND METABOLISM,C(c1ccc(cc1)OC(=O)C)(c1ccc(cc1)OC(=O)C)c1ccccn1,361.39099999999996,4.1124,101.175,65.49,24,0,5,KHOITXIGCFIULA-UHFFFAOYSA-N,C22H19NO4,CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",-4.4327,-4.4007,-1.5863,-1.5819,-1.5628,-1.0911,0.6162,0.6214,0.6448,0.6731,0.8136,D00245_A06AB02,000400300000000002000200840200000000004040001200000000a0000000001000400000008030008a000800000040000002000000200001000002000002008c000c0201000301000000000288800000808040048000084008080000000000001000010000040200000800201004000006011008410020080000000a000004,04000000503005,050000000000000000009000000000000000000000009000000000000000000000000600402801,00000000000000000100000002000165804993da1f,0,18,28,2,0,7,46,48,-9.972000000000001,-0.426,0,-1.0,0.692490101,+,0.9127,-,0.9127,https://www.genome.jp/dbget-bin/www_bget?dr:D00245
717,D00245, Bisacodyl (JP17/USP/INN), Enemas,A06AG02,ALIMENTARY TRACT AND METABOLISM,C(c1ccc(cc1)OC(=O)C)(c1ccc(cc1)OC(=O)C)c1ccccn1,361.39099999999996,4.1124,101.175,65.49,24,0,5,KHOITXIGCFIULA-UHFFFAOYSA-N,C22H19NO4,CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",-4.4218,-4.4091,-1.5864,-1.5858,-1.5336,-1.0933,0.6187,0.6369,0.6718,0.6996,0.8108,D00245_A06AG02,000400300000000002000200840200000000004040001200000000a0000000001000400000008030008a000800000040000002000000200001000002000002008c000c0201000301000000000288800000808040048000084008080000000000001000010000040200000800201004000006011008410020080000000a000004,04000000503005,050000000000000000009000000000000000000000009000000000000000000000000600402801,00000000000000000100000002000165804993da1f,0,18,28,2,0,7,46,48,-9.972000000000001,-0.426,0,-1.0,0.692490101,+,0.9127,-,0.9127,https://www.genome.jp/dbget-bin/www_bget?dr:D00245
718,D07107, Dantron (INN), Contact laxatives,A06AB03,ALIMENTARY TRACT AND METABOLISM,c1cc(c2c(c1)C(=O)c1c(C2=O)c(ccc1)O)O,240.21099999999998,1.8732,63.795,74.6,12,2,4,QBPFLULOKWLNNW-UHFFFAOYSA-N,C14H8O4,Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",-2.6627,-2.6587,-2.1816,-1.0494,-1.046,-1.0216,0.782,0.7901,0.8773,1.0826,1.6344,D07107_A06AB03,000400000000008202000200800000020000004000000000000000a000000000140042002840000040020208000000000002020000001000000000020000000008200020000000000000200002800000008000400000000840080800000000000102000140040012008002000000000000020100000100200808004200000000,1400000402b001,00000000000001000000000000000000c001000000010000000000000000000000004240401000,0000000000000000000000011001014084cc83521e,0,12,14,2,0,0,26,28,-9.724,-1.466,0,1.0,0.108416803,-,0.5455,+,0.5455,https://www.genome.jp/dbget-bin/www_bget?dr:D07107
719,D05456, Phenolphthalein (INN), Contact laxatives,A06AB04,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)C1(c2ccc(cc2)O)OC(=O)c2c1cccc2)O,318.323,3.5601,88.6695,66.76,18,2,4,KJFMBFZCATUALV-UHFFFAOYSA-N,C20H14O4,Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",-4.2928,-3.0033,-2.8816,-1.6518,-0.9769,-0.9523,0.5577,0.5578,0.7514,0.7517,1.5332,D05456_A06AB04,00040000000000c002000200800200020000004000005a00002200a0000400001400400000400000600b020800000000000002000000000000020002000002000800080200000000000021000280000000880040000000084008080000010000000000054004000200c000081000000000020100000100200808000000000000,0400000432b005,00000000000000000000a000000000000001000000010000000000000000000000004640402000,0000000000000021020004801081014404cd83521e,0,18,22,1,0,2,38,41,-9.584,-0.455,0,1.0,0.42183277,+,0.9159,-,0.9159,https://www.genome.jp/dbget-bin/www_bget?dr:D05456
720,D02171, Sennosides (USP), Contact laxatives,A06AB06,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@H]2c3c(C(=O)c4c2cccc4O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)c(cc(c3)C(=O)O)O)c2c(C(=O)c3c1cccc3O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c(cc(c2)C(=O)O)O,862.7389999999999,-1.0956,202.796,347.96,56,12,20,IPQVTOJGNYVQEO-KGFNBKMBSA-N,C42H38O20,OCC1OC(Oc2cccc3c2C(=O)c2c(C3C3c4cc(cc(c4C(=O)c4c3cccc4OC3OC(CO)C(C(C3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)C(C(C1O)O)O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",-4.3975,-4.3799,-4.3054,-4.261,-3.1515,-3.1248,2.3625,2.3674,2.3678,2.3792,2.4711,D02171_A06AB06,080501000000a0c202000200800300032000806400080000010000e0000400001400420a28404005600a1208200154000103024000a05811008000220000800008b02a28010020118000a02202808000b08a004000001068600a08011009200001020001402c001202c802c24110288000030540080100200808004b00000004,1400003c72b003,04380000000181400000880000000000c001000000010000000000000000000000004677403804,000000000000302180000207121181648ccfa3571e,0,24,79,4,0,9,100,107,-2.439,3.182,12,,1.47001e-07,+,8.333,-,8.333,https://www.genome.jp/dbget-bin/www_bget?dr:D02171
721,D01612, Sodium picosulfate hydrate (JP17), Contact laxatives,A06AB08,ALIMENTARY TRACT AND METABOLISM,O(S(=O)(=O)O)c1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OS(=O)(=O)O,437.444,4.7866,102.619,156.85,22,2,9,UJIDKYTZIQTXPM-UHFFFAOYSA-N,C18H15NO8S2,OS(=O)(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OS(=O)(=O)O,"InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25)",-10.8292,-10.7775,-10.7562,-10.7433,-10.1921,-10.1781,2.6036,2.6392,2.6542,3.6464,5.6687,D01612_A06AB08,200401200000000002040200840000000000004040001200000000a00000100011004000000080200080000800000040000002000000a00001000002000800028c0004020000020002000000020800000080804004a000084008880000000000013800010000008200000800200004200006411000430020080002000a000000,0000000000b001,040000000000000000000000000000000000000000009000000801000000000000000600402800,00000000c080401a1501800022820169864d8b581f,0,18,24,4,0,7,44,46,-4.925,3.865,0,1.0,,+,1.6181,-,1.6181,https://www.genome.jp/dbget-bin/www_bget?dr:D01612
722,D07531, Bisoxatin (INN), Contact laxatives,A06AB09,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)OC(C(=O)N2)(c1ccc(cc1)O)c1ccc(cc1)O,333.337,3.5105,96.1637,78.79,20,3,5,BPKUDUSVDVLOPY-UHFFFAOYSA-N,C20H15NO4,Oc1ccc(cc1)C1(Oc2ccccc2NC1=O)c1ccc(cc1)O,"InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)",-3.7929,-3.2682,-2.8833,-2.2642,-2.0652,-1.974,0.8087,0.9773,1.0044,1.4885,2.0024,D07531_A06AB09,000600000024004003000600808200048000004048005228002000a0000000001190c081002040322006241800001041000002000000000800000082000004000844080241100241000011000280800100d0004004002c084008080000010200000000010000000200400000801000a002060100081110200800000002600004,0400000452b001,000002000000000000008000200000000000000000010000000000000000000000004600402800,00000000000000218200004812a1914144cde37a1f,0,18,24,1,0,2,40,43,-9.156,0.035,0,-1.0,0.636776805,+,0.8299,-,0.8299,https://www.genome.jp/dbget-bin/www_bget?dr:D07531
723,D01191, Bisoxatin acetate (JAN/USAN), Contact laxatives,A06AB09,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)OC(C(=O)N2)(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C,417.411,3.9499,115.116,90.93,26,1,7,ZCBJDQBSLZREAA-UHFFFAOYSA-N,C24H19NO6,CC(=O)Oc1ccc(cc1)C1(Oc2ccccc2NC1=O)c1ccc(cc1)OC(=O)C,"InChI=1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)",-4.4343,-4.4172,-3.7851,-3.2722,-2.8829,-2.2691,0.8888,0.976,1.0036,1.4907,2.0055,D01191_A06AB09,000600100024004003000600808200048000004048005228002000a0000000001190c08100204032200e241800001041000002000000000800000082000006000844080241100341000011000280800100d0004004002c084008080000010200000000010000040200400000801000a002060100081110200800000002600004,0400000050b005,010002000000000000009000200000000000000000000000000000000000000000004600402801,00000000000000218200004812a19165c0c9f3fa1f,0,18,32,3,0,6,50,53,-9.507,-0.5589999999999999,0,,0.916750073,+,1.6689,-,1.6689,https://www.genome.jp/dbget-bin/www_bget?dr:D01191
724,D01108, Magnesium sulfate (USP), Osmotically acting laxatives,A06AD04,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8265,-10.8255,-10.2271,-10.2265,-1.7393,-1.7393,2.6002,2.6003,2.6003,2.6765,5.6505,D01108_A06AD04,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235999999999999,0,,2.34951e-32,+,1.0305,-,1.0305,https://www.genome.jp/dbget-bin/www_bget?dr:D01108
725,D01108, Magnesium sulfate (USP), Magnesium,A12CC02,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.825999999999999,-10.8257,-10.2271,-10.227,-1.7393,-1.7393,2.6002,2.6003,2.6003,2.6766,5.6505,D01108_A12CC02,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235999999999999,0,,2.34951e-32,+,1.0305,-,1.0305,https://www.genome.jp/dbget-bin/www_bget?dr:D01108
726,D01108, Magnesium sulfate (USP), Electrolyte solutions,B05XA05,BLOOD AND BLOOD FORMING ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8265,-10.8255,-10.2271,-10.2267,-1.7393,-1.7393,2.6002,2.6002,2.6003,2.6767,5.6505,D01108_B05XA05,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235999999999999,0,,2.34951e-32,+,1.0305,-,1.0305,https://www.genome.jp/dbget-bin/www_bget?dr:D01108
727,D01108, Magnesium sulfate (USP), Other dermatologicals,D11AX05,DERMATOLOGICALS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8265,-10.8256,-10.2271,-10.2268,-1.7393,-1.7393,2.6003,2.6003,2.6003,2.6767,5.6505,D01108_D11AX05,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235999999999999,0,,2.34951e-32,+,1.0305,-,1.0305,https://www.genome.jp/dbget-bin/www_bget?dr:D01108
728,D01108, Magnesium sulfate (USP), Tests for bile duct patency,V04CC02,VARIOUS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8263,-10.825999999999999,-10.2271,-10.227,-1.7394,-1.7394,2.6002,2.6003,2.6004,2.6767,5.6505,D01108_V04CC02,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235999999999999,0,,2.34951e-32,+,1.0305,-,1.0305,https://www.genome.jp/dbget-bin/www_bget?dr:D01108
729,D00352, Lactulose (JP17/USP/INN), Osmotically acting laxatives,A06AD11,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@H](O[C@@]([C@H]1O)(CO)O)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO,342.296,-5.3956,68.1574,189.53,33,8,11,JCQLYHFGKNRPGE-FCVZTGTOSA-N,C12H22O11,OCC1OC(C(C1OC1OC(CO)C(C(C1O)O)O)O)(O)CO,"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",-3.8289,-3.1625,-3.1566,-3.1311,-2.2466,-2.2427,2.324,2.3522,2.3658,2.4092,2.4912,D00352_A06AD11,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000010200010000100000000a04011000000000000800008902a00000008000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000023c30a001,00380000000180410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000687829080e40c4fa2551c,0,0,46,0,0,5,45,46,-10.578,0.9540000000000001,9,1.0,0.00032670400000000004,-,0.8738,-,0.8738,https://www.genome.jp/dbget-bin/www_bget?dr:D00352
730,D08266, Lactitol (NF/INN), Osmotically acting laxatives,A06AD12,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)O)O)O)CO,344.31199999999995,-5.7612,70.3102,200.53,35,9,11,VQHSOMBJVWLPSR-JVCRWLNRSA-N,C12H24O11,OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",-3.1588,-3.1329,-2.2527,-2.0736,-2.069,-2.0123,2.2683,2.3052,2.4196,2.4242,2.4456,D08266_A06AD12,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001000020000000000800280000000000004000288000010100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000000437402004,000000000000300180000207821000640c4fa2551c,0,0,47,0,0,8,47,47,-10.579,1.089,9,1.0,0.000154413,-,0.6343,-,0.6343,https://www.genome.jp/dbget-bin/www_bget?dr:D08266
731,D02039, Lactitol hydrate (JAN), Osmotically acting laxatives,A06AD12,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]([C@@H]([C@H](CO)O)O)[C@@H](CO)O)O)O)O)CO,344.31199999999995,-5.7612,70.3102,200.53,35,9,11,VQHSOMBJVWLPSR-JVCRWLNRSA-N,C12H24O11,OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",-3.1301,-3.0558,-2.5676,-2.2803,-2.0737,-2.0134,2.3428,2.3966,2.452,2.6195,2.6621,D02039_A06AD12,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001000020000000000800280000000000004000288000010100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000000437402004,000000000000300180000207821000640c4fa2551c,0,0,47,0,0,8,47,47,-10.578,1.089,9,,0.000154508,-,0.6343,-,0.6343,https://www.genome.jp/dbget-bin/www_bget?dr:D02039
732,D01732, Anhydous sodium sulfate (JP17), Osmotically acting laxatives,A06AD13,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8262,-10.8256,-10.2272,-10.2271,-1.7393,-1.7393,2.6002,2.6003,2.6003,2.6767,5.6505,D01732_A06AD13,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,,2.3500200000000002e-32,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D01732
733,D01732, Anhydous sodium sulfate (JP17), Sodium,A12CA02,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8262,-10.8253,-10.2271,-10.2269,-1.7393,-1.7393,2.6002,2.6003,2.6003,2.6767,5.6505,D01732_A12CA02,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,,2.3500200000000002e-32,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D01732
734,D05877, Sodium sulfate (USP), Osmotically acting laxatives,A06AD13,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8265,-10.8259,-10.2271,-10.2271,-1.7394,-1.7394,2.6002,2.6003,2.6004,2.6767,5.6505,D05877_A06AD13,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,1.0,2.3500200000000002e-32,+,1.0881,-,1.0881,https://www.genome.jp/dbget-bin/www_bget?dr:D05877
735,D05877, Sodium sulfate (USP), Sodium,A12CA02,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8268,-10.8255,-10.2272,-10.2271,-1.7394,-1.7393,2.6003,2.6003,2.6003,2.6767,5.6505,D05877_A12CA02,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,1.0,2.3500200000000002e-32,+,1.0881,-,1.0881,https://www.genome.jp/dbget-bin/www_bget?dr:D05877
736,D01721, Pentaerythritol tetranitrate (JAN), Osmotically acting laxatives,A06AD14,ALIMENTARY TRACT AND METABOLISM,C(CO[N](=O)O)(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,320.168,0.4644,56.327,235.56,24,4,0,PFGIUCREGZAGRP-UHFFFAOYSA-N,C5H12N4O12,O[N](=O)OCC(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,"InChI=1S/C5H12N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",-6.1584,-6.144,-6.1041,-6.0964,-5.0252,-5.0049,2.2073,2.7979,2.8025,2.8069,2.8437,D01721_A06AD14,0000000000000000000000000000000400000000000000000000000000000000100000044000000100000000000000000000000000000001000000000000000018000804000000000000000000080180000080400200000000000002008000100000000008000000000000002000000000000000000000004000000000000000,0100000000e008,080000000000000000000000000000000000000000000000000000000000000000000000c02a00,00008000008001407200002320d2402a862e0a5509,0,0,28,4,0,12,33,32,-12.720999999999998,-2.082,0,,,+,1.3908,-,1.3908,https://www.genome.jp/dbget-bin/www_bget?dr:D01721
737,D01721, Pentaerythritol tetranitrate (JAN), Organic nitrates,C01DA05,CARDIOVASCULAR SYSTEM,C(CO[N](=O)O)(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,320.168,0.4644,56.327,235.56,24,4,0,PFGIUCREGZAGRP-UHFFFAOYSA-N,C5H12N4O12,O[N](=O)OCC(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,"InChI=1S/C5H12N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)",-6.1402,-6.1129,-6.1089,-6.1024,-5.0183,-5.0001,2.2164,2.266,2.8003,2.8005,2.8058,D01721_C01DA05,0000000000000000000000000000000400000000000000000000000000000000100000044000000100000000000000000000000000000001000000000000000018000804000000000000000000080180000080400200000000000002008000100000000008000000000000002000000000000000000000004000000000000000,0100000000e008,080000000000000000000000000000000000000000000000000000000000000000000000c02a00,00008000008001407200002320d2402a862e0a5509,0,0,28,4,0,12,33,32,-12.720999999999998,-2.082,0,,,+,1.3908,-,1.3908,https://www.genome.jp/dbget-bin/www_bget?dr:D01721
738,D03370, Polyethylene glycol (NF), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9275,-1.1349,-1.1302,-0.9993,-0.8989,0.5067,0.6041,0.7409,0.8286,0.8306,D03370_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.139000000000001,2.92,0,,0.000174374,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D03370
739,D06418, Macrogol ointment (JP17), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9275,-1.135,-1.1302,-0.9993,-0.8989,0.5067,0.6041,0.7409,0.8286,0.8306,D06418_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.135,2.92,0,0.0,0.00017441400000000001,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D06418
740,D06419, Macrogol 400 (JP17), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9275,-1.1349,-1.1301,-0.9993,-0.8989,0.5067,0.6041,0.7409,0.8286,0.8306,D06419_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.135,2.9210000000000003,0,0.0,0.000174224,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D06419
741,D06420, Macrogol 1500 (JP17), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9275,-1.1349,-1.1302,-0.9993,-0.8989,0.5067,0.6041,0.7409,0.8286,0.8306,D06420_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.137,2.9210000000000003,0,2.0,0.00017437599999999999,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D06420
742,D06421, Macrogol 4000 (JP17), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9276,-1.1349,-1.1301,-0.9993,-0.8989,0.5067,0.6041,0.7408,0.8287,0.8306,D06421_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.137,2.9210000000000003,0,1.0,0.00017439400000000002,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D06421
743,D06423, Macrogol 20000 (JP17), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,OCCO,62.0678,-1.0290000000000001,14.0516,40.46,8,2,2,LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,OCCO,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",-1.9307,-1.9276,-1.1349,-1.1302,-0.9993,-0.8989,0.5068,0.6041,0.7409,0.8287,0.8306,D06423_A06AD15,0000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,001800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000200080000200801020000c06045508,0,0,9,0,0,1,10,9,-11.138,2.92,0,0.0,0.000174252,+,1.0983,-,1.0983,https://www.genome.jp/dbget-bin/www_bget?dr:D06423
744,D01542, Polyoxyl 8 stearate (USAN), Osmotically acting laxatives,A06AD15,ALIMENTARY TRACT AND METABOLISM,CCCCCCCCCCCCCCCCCC(=O)OCCO,328.53,5.7834,100.70100000000001,46.53,43,1,3,RFVNOJDQRGSOEL-UHFFFAOYSA-N,C20H40O3,CCCCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3",-4.5468,-2.9724,-1.9343,-1.4775,-1.2109999999999999,-1.1306,0.8309,0.8492,1.1344,1.1526,1.1694,D01542_A06AD15,00000000000002000000000000020000200000000000000000000000000400001000000800000005000a0000200000000100000000204000000000000000820008900800000000000000800008800004009000400000000000000000000000000000000000000000000000000000080000030100000400000000000100000100,0400001c30a004,031800000000000000009000000000000000000000000000000000000000000000000000402801,00000000000000008000020080182ea4090606d708,0,0,61,1,0,19,63,62,-10.947000000000001,0.8490000000000001,0,,,-,4.2335,-,4.2335,https://www.genome.jp/dbget-bin/www_bget?dr:D01542
745,D00062, Mannitol (USP), Osmotically acting laxatives,A06AD16,ALIMENTARY TRACT AND METABOLISM,OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-KVTDHHQDSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",-1.9196,-1.9139,-1.9035,-1.9028,-1.9006,-1.9002,1.5689,2.3667,2.3722,2.391,2.3949,D00062_A06AD16,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.837,2.23,4,0.0,,+,0.6676,-,0.6676,https://www.genome.jp/dbget-bin/www_bget?dr:D00062
746,D00062, Mannitol (USP), Solutions producing osmotic diuresis,B05BC01,BLOOD AND BLOOD FORMING ORGANS,OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-KVTDHHQDSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",-1.9169,-1.9138,-1.9122,-1.9034,-1.8964,-1.8928,1.7053,1.8049,2.3826,2.397,2.4241,D00062_B05BC01,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.837,2.23,4,0.0,,+,0.6676,-,0.6676,https://www.genome.jp/dbget-bin/www_bget?dr:D00062
747,D00062, Mannitol (USP), Other irrigating solutions,B05CX04,BLOOD AND BLOOD FORMING ORGANS,OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-KVTDHHQDSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",-2.0914,-1.9325,-1.9102,-1.9065,-1.9044,-1.8996,1.8128,2.3433,2.3637,2.3815,2.4294,D00062_B05CX04,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.837,2.23,4,0.0,,+,0.6676,-,0.6676,https://www.genome.jp/dbget-bin/www_bget?dr:D00062
748,D00062, Mannitol (USP), Mucolytics,R05CB16,RESPIRATORY SYSTEM,OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-KVTDHHQDSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",-1.9177,-1.9139,-1.9108,-1.9041,-1.8945,-1.8914,1.7195,1.8038,2.3529,2.3938,2.4078,D00062_R05CB16,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.837,2.23,4,0.0,,+,0.6676,-,0.6676,https://www.genome.jp/dbget-bin/www_bget?dr:D00062
749,D06389, Dibasic sodium phosphate hydrate (JP17), Osmotically acting laxatives,A06AD17,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3683,-10.0221,-9.7162,-9.7162,-2.4064,-2.401,3.3741,3.6102,3.6144,4.9924,5.0246,D06389_A06AD17,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D06389
750,D06389, Dibasic sodium phosphate hydrate (JP17), Enemas,A06AG01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3635,-10.0109,-9.7162,-9.7162,-2.5001,-2.2643,3.4288,3.5827,3.6411,4.8671,5.0061,D06389_A06AG01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D06389
751,D06389, Dibasic sodium phosphate hydrate (JP17), Electrolyte solutions,B05XA09,BLOOD AND BLOOD FORMING ORGANS,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3674,-10.0223,-9.7162,-9.7162,-2.4057,-2.4018,3.3742,3.6098,3.6145,4.992,5.0251,D06389_B05XA09,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D06389
752,D05869," Sodium phosphate, dibasic (USP)", Osmotically acting laxatives,A06AD17,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3733,-10.0126,-9.7162,-9.7162,-2.4944,-2.1985,3.4284,3.5855,3.6414,4.856,5.0056,D05869_A06AD17,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,2.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D05869
753,D05869," Sodium phosphate, dibasic (USP)", Enemas,A06AG01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3606,-10.0078,-9.7162,-9.7162,-2.4077,-2.3989,3.372,3.6105,3.6116,4.9645,4.967,D05869_A06AG01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,2.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D05869
754,D05869," Sodium phosphate, dibasic (USP)", Electrolyte solutions,B05XA09,BLOOD AND BLOOD FORMING ORGANS,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3695,-10.0224,-9.7162,-9.7162,-2.4065,-2.401,3.3743,3.6102,3.6148,4.9916,5.0249,D05869_B05XA09,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.774,0,2.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D05869
755,D09000," Sodium phosphate, tribasic (NF)", Osmotically acting laxatives,A06AD17,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3628,-10.0113,-9.7162,-9.7162,-2.4957,-2.2285,3.4285,3.5826,3.6409,4.8611,5.0055,D09000_A06AD17,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.776999999999997,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D09000
756,D09000," Sodium phosphate, tribasic (NF)", Enemas,A06AG01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3738,-10.0089,-9.7162,-9.7162,-2.4636,-2.3665,3.3791,3.6069,3.6196,4.9603,4.9852,D09000_A06AG01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.776999999999997,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D09000
757,D09000," Sodium phosphate, tribasic (NF)", Electrolyte solutions,B05XA09,BLOOD AND BLOOD FORMING ORGANS,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3545,-10.0118,-9.7162,-9.7162,-2.4921,-2.1539,3.4282,3.5841,3.6365,4.849,5.0059,D09000_B05XA09,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.776999999999997,0,-1.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D09000
758,D00096, D-Sorbitol (JP17), Osmotically acting laxatives,A06AD18,ALIMENTARY TRACT AND METABOLISM,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-JGWLITMVSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",-2.1536,-1.9228,-1.9184,-1.9163,-1.9017,-1.8989,1.8038,2.3045,2.3738,2.4019,2.4065,D00096_A06AD18,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.833,2.146,4,,,+,0.5919,-,0.5919,https://www.genome.jp/dbget-bin/www_bget?dr:D00096
759,D00096, D-Sorbitol (JP17), Enemas,A06AG07,ALIMENTARY TRACT AND METABOLISM,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-JGWLITMVSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",-2.1968,-1.912,-1.9116,-1.9104,-1.9085,-1.9076,1.8840000000000001,2.3268,2.3462,2.3722,2.3952,D00096_A06AG07,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.833,2.146,4,,,+,0.5919,-,0.5919,https://www.genome.jp/dbget-bin/www_bget?dr:D00096
760,D00096, D-Sorbitol (JP17), Other irrigating solutions,B05CX02,BLOOD AND BLOOD FORMING ORGANS,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-JGWLITMVSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",-1.9149,-1.9142,-1.9128,-1.9114,-1.9014,-1.8985,1.806,1.8769,2.3663,2.3823,2.4203,D00096_B05CX02,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.833,2.146,4,,,+,0.5919,-,0.5919,https://www.genome.jp/dbget-bin/www_bget?dr:D00096
761,D00096, D-Sorbitol (JP17), Tests for bile duct patency,V04CC01,VARIOUS,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,182.172,-3.5854,37.9268,121.38,20,6,6,FBPFZTCFMRRESA-JGWLITMVSA-N,C6H14O6,OCC(C(C(C(CO)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",-2.1948,-1.9245,-1.9136,-1.9107,-1.9052,-1.8925,1.8149,2.3289,2.339,2.4021,2.4288,D00096_V04CC01,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204001000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402004,000000000000300080000207801000000c0e825508,0,0,25,0,0,5,26,25,-10.833,2.146,4,,,+,0.5919,-,0.5919,https://www.genome.jp/dbget-bin/www_bget?dr:D00096
762,D03265, Magnesium citrate (JAN/USP), Osmotically acting laxatives,A06AD19,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5978,-4.577,-4.5655,-4.4229,-4.3984,-4.3939,2.3747,2.3836,2.3956,2.3986,2.4363,D03265_A06AD19,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.798,0,0.0,,-,0.8158,-,0.8158,https://www.genome.jp/dbget-bin/www_bget?dr:D03265
763,D03265, Magnesium citrate (JAN/USP), Magnesium,A12CC04,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6072,-4.5908,-4.5773,-4.4293,-4.4081,-4.3971,2.365,2.3743,2.3773,2.3875,2.4161,D03265_A12CC04,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.798,0,0.0,,-,0.8158,-,0.8158,https://www.genome.jp/dbget-bin/www_bget?dr:D03265
764,D03265, Magnesium citrate (JAN/USP), Salt solutions,B05CB03,BLOOD AND BLOOD FORMING ORGANS,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5717,-4.5697,-4.5543,-4.4492,-4.4281,-4.4253,2.3641,2.3845,2.3924,2.3982,2.4019999999999997,D03265_B05CB03,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.798,0,0.0,,-,0.8158,-,0.8158,https://www.genome.jp/dbget-bin/www_bget?dr:D03265
765,D07108, Sodium tartrate (NF), Osmotically acting laxatives,A06AD21,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@@H]([C@H](C(=O)O)O)O,150.08700000000002,-2.1226,27.2092,115.06,10,4,6,FEWJPZIEWOKRBE-JCYAYHJZSA-N,C4H6O6,OC(C(C(=O)O)O)C(=O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",-4.5378,-4.5285,-4.4635,-4.4319999999999995,-2.7072,-2.7051,2.354,2.3831,2.4639,2.4639,2.5097,D07108_A06AD21,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000000800014005000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000400,0400002c00a002,002800000001000000008800000000200000000000000000000000000000000000000000402804,00000000000030008000000100000004840c825208,0,0,13,2,0,3,16,15,-1.072,10.517000000000001,2,-1.0,,+,0.6204,-,0.6204,https://www.genome.jp/dbget-bin/www_bget?dr:D07108
766,D00028, Glycerin (JP17/USP), Enemas,A06AG04,ALIMENTARY TRACT AND METABOLISM,OCC(CO)O,92.0938,-1.6681,20.0204,60.69,11,3,3,PEDCQBHIVMGVHV-UHFFFAOYSA-N,C3H8O3,OCC(CO)O,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",-1.9211,-1.9152,-1.9058,-1.7369999999999999,-1.7097,-1.1429,0.8283,0.8354,0.8383,1.5653,2.3839,D00028_A06AG04,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000000000000000001000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000300080000203801000000c06825508,0,0,13,0,0,2,14,13,-10.939,2.932,0,,,+,1.0381,-,1.0381,https://www.genome.jp/dbget-bin/www_bget?dr:D00028
767,D00028, Glycerin (JP17/USP), Other drugs for constipation,A06AX01,ALIMENTARY TRACT AND METABOLISM,OCC(CO)O,92.0938,-1.6681,20.0204,60.69,11,3,3,PEDCQBHIVMGVHV-UHFFFAOYSA-N,C3H8O3,OCC(CO)O,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",-1.9195,-1.9184,-1.905,-1.7378,-1.7211,-1.1799,0.8277,0.8319,0.8345,1.5648,2.3715,D00028_A06AX01,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000000000000000001000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000003c00a000,003800000001000000000000000000000000000000000000000000000000000000000000402000,000000000000300080000203801000000c06825508,0,0,13,0,0,2,14,13,-10.939,2.932,0,,,+,1.0381,-,1.0381,https://www.genome.jp/dbget-bin/www_bget?dr:D00028
768,D06618, Methylnaltrexone bromide (JAN/USAN), Peripheral opioid receptor antagonist,A06AH01,ALIMENTARY TRACT AND METABOLISM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5O)[N@+](CC3)(CC1CC1)C)O,356.435,1.6288,101.154,66.76,30,2,4,JVLBPIPGETUEET-WIXLDOGYSA-O,C21H26NO4+,O=C1CCC2(C34C1Oc1c4c(CC2[N+](CC3)(C)CC2CC2)ccc1O)O,"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1",-5.5803,-4.7838,-4.7575,-4.5553,-2.9952,-2.0112,1.4728,1.4761,1.706,1.7216,1.7314,D06618_A06AH01,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0231ac0800440d1815000003408c0180801800805004182002000100007020000c2e1101800000721000a0510200802004300100504,1500004c52f001,0e4842040400010000000000000000000000000000010000000000000000000000006600c02a05,0000202000000101820434d79ac9adc30dcf8fff1f,0,6,50,1,0,2,52,57,-11.885,-3.9419999999999997,5,1.0,0.011242991,+,2.325,-,2.325,https://www.genome.jp/dbget-bin/www_bget?dr:D06618
769,D02878, Alvimopan (USAN), Peripheral opioid receptor antagonist,A06AH02,ALIMENTARY TRACT AND METABOLISM,[C@]1([C@H](C[N@@H+](CC1)C[C@H](Cc1ccccc1)C(=O)NCC(=O)O)C)(c1cccc(c1)O)C,425.541,3.5944,125.91799999999999,91.07,37,4,5,UPNUIXSCZBYVBB-JVFUWBCBSA-O,C25H33N2O4+,OC(=O)CNC(=O)C(C[NH+]1CCC(C(C1)C)(C)c1cccc(c1)O)Cc1ccccc1,"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/p+1/t18-,20-,25+/m0/s1",-5.9749,-4.6078,-4.5702,-4.5558,-4.5098,-4.4064,2.3589,2.3718,2.4703,2.6031,2.6106,D02878_A06AH02,00260000004000201b00060000000000000000100000000000000080001800001800500000000002000e0018000100000102020018000000000000020000001008000c0000000880000000000280000e00b0015000003008e0090800000800000000002000000002000000408000000000060100000110200846004300000000,0500000c02f003,0f00400204000000000088000a0000000000000000010000000000000000000000000600c02a04,00000000000031200284324e8be83dc78d6fffff1f,0,12,52,2,0,9,64,66,-6.814,-1.504,4,,0.011318538999999999,-,1.48,-,1.48,https://www.genome.jp/dbget-bin/www_bget?dr:D02878
770,D04790, Lubiprostone (JAN/USAN/INN), Other drugs for constipation,A06AX03,ALIMENTARY TRACT AND METABOLISM,[C@H]1(C(=O)C[C@@H]2[C@@H]1CC[C@](O2)(O)C(CCCC)(F)F)CCCCCCC(=O)O,390.462,4.3099,98.4226,83.83,36,2,5,WGFOBBZOWHGYQH-DKYLXPRQSA-N,C20H32F2O5,CCCCC(C1(O)CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)(F)F,"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1",-4.5634,-4.3963,-3.8289999999999997,-3.1649,-3.0016,-2.7,1.6137,1.6637,2.3657,2.366,2.4093,D04790_A06AX03,00060000000022000000000300020000000000b02000000000000000000400001000500000000001000a00002001000001000000002040000001000000008000081028000000000000008002088000140090004000000000200000000000000000000000040800000000200000041c8000010100000010000000000140000500,1400020c30a003,07010000000001410000880000000000000000000000000000000000000000000000443a402805,00000000000200010000008792852ec4ad4da6d61c,2,0,58,2,0,11,59,60,-4.135,1.989,4,,0.00136235,-,1.9732,-,1.9732,https://www.genome.jp/dbget-bin/www_bget?dr:D04790
771,D09355, Linaclotide (JAN/USAN), Other drugs for constipation,A06AX04,ALIMENTARY TRACT AND METABOLISM,C(=O)(CC[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(cc4)O)NC1=O)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC3=O)CC(=O)N)CCC1)C)CSSC2)[C@H](O)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)[NH3+])O,1527.74,-2.0101,415.827,727.33,119,19,41,KXGCNMMJRFDFNR-WDRJZQOASA-O,C59H80N15O21S6+,OC(=O)CCC1NC(=O)C2CSSCC3NC(=O)C(C)NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccc(cc1)O)CSSCC(NC(=O)CNC(=O)C(NC3=O)C(O)C)C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CSSCC(C(=O)N2)[NH3+])CC(=O)N)CCC4,"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/p+1/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1",-5.394,-5.3747,-5.3421,-4.8212,-4.5689,-4.551,2.6522,2.6577,2.7181,2.9347,3.0102,D09355_A06AX04,002ec103004000203b8006000200000c0000001000041200000080800118000018005087c3060003200e2c384001004001234e001800c000010000020000001008000c0000001880012004013680001e00b0034000003008c0090f02800820000c00002000000002100100008000180000071144000110601876008100000300,0500002c02f203,0328c00044000000000088002e0000c0010000000001000000000080000000000000c600c02a04,002000000800310004c09ecf8961b1cf9f6fffff1f,0,12,158,16,0,14,181,186,-5.303,-3.0780000000000003,14,1.0,0.92443645,-,44.7074,-,44.7074,https://www.genome.jp/dbget-bin/www_bget?dr:D09355
772,D06612, Linaclotide acetate (USAN), Other drugs for constipation,A06AX04,ALIMENTARY TRACT AND METABOLISM,C(=O)(CC[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](NC(=O)[C@H](Cc4ccc(cc4)O)NC1=O)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC3=O)CC(=O)N)CCC1)C)CSSC2)[C@H](O)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)[NH3+])O,1527.74,-2.0101,415.827,727.33,119,19,41,KXGCNMMJRFDFNR-RSACAQDHSA-O,C59H80N15O21S6+,OC(=O)CCC1NC(=O)C2CSSCC3NC(=O)C(C)NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccc(cc1)O)CSSCC(NC(=O)CNC(=O)C(NC3=O)C(O)C)C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CSSCC(C(=O)N2)[NH3+])CC(=O)N)CCC4,"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/p+1/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,46-/m0/s1",-5.395,-5.3888,-5.2876,-4.8106,-4.5819,-4.5551,2.6599,2.6892,2.7872,2.9215,2.9927,D06612_A06AX04,002ec103004000203b8006000200000c0000001000041200000080800118000018005087c3060003200e2c384001004001234e001800c000010000020000001008000c0000001880012004013680001e00b0034000003008c0090f02800820000c00002000000002100100008000180000071144000110601876008100000300,0500002c02f203,0328c00044000000000088002e0000c0010000000001000000000080000000000000c600c02a04,002000000800310004c09ecf8961b1cf9f6fffff1f,0,12,158,16,0,14,181,186,-5.17,-3.125,14,0.0,0.505803108,-,44.7074,-,44.7074,https://www.genome.jp/dbget-bin/www_bget?dr:D06612
773,D09205, Prucalopride (USAN/INN), Other drugs for constipation,A06AX05,ALIMENTARY TRACT AND METABOLISM,c1(c(c2c(c(c1)C(=O)N[C@@H]1CC[N@@H+](CC1)CCCOC)OCC2)N)Cl,368.87800000000004,3.2119999999999997,103.397,78.02,32,3,5,ZPMNHBXQOOVQJL-UHFFFAOYSA-O,C18H27ClN3O3+,COCCC[NH+]1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N,"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)/p+1",-5.9812,-5.1089,-5.0857,-4.651,-4.6264,-4.5889999999999995,1.6087,1.6202,1.8199,2.6210000000000004,3.0685,D09205_A06AX05,00260220000004a413180600000300000400009000081008000400c0012000001c0050008000002100870a184000004001060200000480040084002200002008182008084104068100000008068880022088017004002008e80b180000000000401600220000001600010206411000000006018008011020081c008d02900004,0500000070f021,0280420a04000000000080000a0000004001000000040000000000000000000000004640c02a04,000000000000110100847e9fdb7dbda37da3efff1f,0,6,47,1,0,7,52,54,-10.825,-3.845,0,2.0,0.000973997,+,1.0947,-,1.0947,https://www.genome.jp/dbget-bin/www_bget?dr:D09205
774,D10152, Prucalopride succinate (USAN), Other drugs for constipation,A06AX05,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](CC[N@@H+](C1)CCCOC)NC(=O)c1cc(c(c2c1OCC2)N)Cl,368.87800000000004,3.2119999999999997,103.397,78.02,32,3,5,ZPMNHBXQOOVQJL-UHFFFAOYSA-O,C18H27ClN3O3+,COCCC[NH+]1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N,"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)/p+1",-6.011,-5.0922,-5.0751,-4.6181,-4.6164,-4.5626,1.6147,1.6208,1.8879,2.3919,2.6172,D10152_A06AX05,00260220000004a413180600000300000400009000081008000400c0012000001c0050008000002100870a184000004001060200000480040084002200002008182008084104068100000008068880022088017004002008e80b180000000000401600220000001600010206411000000006018008011020081c008d02900004,0500000070f021,0280420a04000000000080000a0000004001000000040000000000000000000000004640c02a04,000000000000110100847e9fdb7dbda37da3efff1f,0,6,47,1,0,7,52,54,-10.825,-3.846,0,1.0,0.030453485,+,1.0947,-,1.0947,https://www.genome.jp/dbget-bin/www_bget?dr:D10152
775,D06056, Tegaserod (USAN/INN), Other drugs for constipation,A06AX06,ALIMENTARY TRACT AND METABOLISM,c1(c2c([nH]c1)ccc(c2)OC)/C=N/NC(=[NH2])NCCCCC,302.395,3.9103,92.4405,87.46,29,4,4,QQPDCICZLPITTG-RGVLZGJSSA-N,C16H24N5O,CCCCCNC(=[NH2])NN=Cc1c[nH]c2c1cc(OC)cc2,"InChI=1S/C16H24N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,18-19,21H,3-5,8,17H2,1-2H3/b20-11+",-12.5219,-10.8748,-8.0977,-6.2421,-6.1757,-5.396,3.73,3.8148,3.8255,3.8561,4.0698,D06056_A06AX06,20030000000a1cc000008e00380200000400001000010248000800800020040210005080020084600880011c00000840010002000004200000000002008000000c001c004100000100004000061800800080214044102000d3080000000300000060088100000c060000000008300400100e010408011020080800010a000000,0000000050b001,0300c2000000000000000000000000000040000000008400000000000000000000004640433800,000000010004080011f00eb6984b6f690561d4bd1f,0,10,35,2,0,9,46,47,-11.05,-4.573,0,1.0,0.008112014,+,0.7817,-,0.7817,https://www.genome.jp/dbget-bin/www_bget?dr:D06056
776,D02730, Tegaserod maleate (USAN), Other drugs for constipation,A06AX06,ALIMENTARY TRACT AND METABOLISM,c1(c2c([nH]c1)ccc(c2)OC)/C=N/NC(=[NH2])NCCCCC,302.395,3.9103,92.4405,87.46,29,4,4,QQPDCICZLPITTG-RGVLZGJSSA-N,C16H24N5O,CCCCCNC(=[NH2])NN=Cc1c[nH]c2c1cc(OC)cc2,"InChI=1S/C16H24N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,18-19,21H,3-5,8,17H2,1-2H3/b20-11+",-12.4054,-10.818,-8.2053,-6.2236,-6.1554,-5.3901,3.7389,3.7545,3.8709,3.8905,3.9077,D02730_A06AX06,20030000000a1cc000008e00380200000400001000010248000800800020040210005080020084600880011c00000840010002000004200000000002008000000c001c004100000100004000061800800080214044102000d3080000000300000060088100000c060000000008300400100e010408011020080800010a000000,0000000050b001,0300c2000000000000000000000000000040000000008400000000000000000000004640433800,000000010004080011f00eb6984b6f690561d4bd1f,0,10,35,2,0,9,46,47,-11.05,-4.573,0,0.0,0.008108098000000001,+,0.7817,-,0.7817,https://www.genome.jp/dbget-bin/www_bget?dr:D02730
777,D00202, Nystatin (JP17/USP/INN), Antibiotics,A07AA02,ALIMENTARY TRACT AND METABOLISM,[C@H]1(O[C@@H]2C[C@@H]([C@@H]([C@@H](CC(=O)C[C@@H]([C@H](CC[C@@H](C[C@@H](C[C@@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C/CC/C=C/C=C/C=C/C=C/2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O,927.1030000000001,0.0615,241.981,329.07,92,12,17,ZDFDJJJGIRGMBE-FNFOIHDYSA-O,C47H76NO17+,OC1CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(C=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/p+1/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28+,29+,30-,31+,32+,33+,35+,36+,37+,38-,39+,41-,42+,43-,44-,45+,47+/m1/s1",-5.3983,-5.3823,-5.3345,-4.5953,-4.4362,-4.4223,2.3891,2.4072,2.4819,2.5541,2.5906,D00202_A07AA02,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090404000020040a800120100002000000400080028000201008000400129c000078100000100000000048140040500,1500002c30e007,1728c000040181400000a800000000000000000000000000000000000000000000000472c32a05,0000000000003101800000478708a0e49d5df6fa1d,0,0,133,9,0,3,141,142,-6.195,-2.5780000000000003,18,-1.0,0.000145253,-,8.5103,+,8.5103,https://www.genome.jp/dbget-bin/www_bget?dr:D00202
778,D00202, Nystatin (JP17/USP/INN), Antibiotics,D01AA01,DERMATOLOGICALS,[C@H]1(O[C@@H]2C[C@@H]([C@@H]([C@@H](CC(=O)C[C@@H]([C@H](CC[C@@H](C[C@@H](C[C@@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C/CC/C=C/C=C/C=C/C=C/2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O,927.1030000000001,0.0615,241.981,329.07,92,12,17,ZDFDJJJGIRGMBE-FNFOIHDYSA-O,C47H76NO17+,OC1CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(C=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/p+1/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28+,29+,30-,31+,32+,33+,35+,36+,37+,38-,39+,41-,42+,43-,44-,45+,47+/m1/s1",-5.3936,-5.3878,-5.34,-4.6,-4.4467,-4.4227,2.274,2.3797,2.3881,2.4684,2.5486,D00202_D01AA01,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090404000020040a800120100002000000400080028000201008000400129c000078100000100000000048140040500,1500002c30e007,1728c000040181400000a800000000000000000000000000000000000000000000000472c32a05,0000000000003101800000478708a0e49d5df6fa1d,0,0,133,9,0,3,141,142,-6.195,-2.5780000000000003,18,-1.0,0.000145253,-,8.5103,+,8.5103,https://www.genome.jp/dbget-bin/www_bget?dr:D00202
779,D00202, Nystatin (JP17/USP/INN), Antibiotics,G01AA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(O[C@@H]2C[C@@H]([C@@H]([C@@H](CC(=O)C[C@@H]([C@H](CC[C@@H](C[C@@H](C[C@@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C/CC/C=C/C=C/C=C/C=C/2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)[C@H]([C@H]([C@@H]([C@H](O1)C)O)[NH3+])O,927.1030000000001,0.0615,241.981,329.07,92,12,17,ZDFDJJJGIRGMBE-FNFOIHDYSA-O,C47H76NO17+,OC1CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(C=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)[NH3+])O,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/p+1/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28+,29+,30-,31+,32+,33+,35+,36+,37+,38-,39+,41-,42+,43-,44-,45+,47+/m1/s1",-5.3978,-5.3742,-5.3475,-4.5966,-4.4357,-4.4189,2.258,2.3890000000000002,2.4141,2.4966,2.5481,D00202_G01AA01,100000040000e2240a00040040020000200000a40040400000000000001400001200000800804007000a0010200010000120000090a0c031000000000000a2000c902a000404000000008a022880021c0090404000020040a800120100002000000400080028000201008000400129c000078100000100000000048140040500,1500002c30e007,1728c000040181400000a800000000000000000000000000000000000000000000000472c32a05,0000000000003101800000478708a0e49d5df6fa1d,0,0,133,9,0,3,141,142,-6.195,-2.5780000000000003,18,-1.0,0.000145253,-,8.5103,+,8.5103,https://www.genome.jp/dbget-bin/www_bget?dr:D00202
780,D08531, Streptomycin (INN), Antibiotics,A07AA04,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2])N)O)NC(=[NH2])N)O[C@H]([C@@]1(C=O)O)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)[NH2+]C,584.5980000000001,-5.9577,133.614,340.35,60,14,16,LYQXVXOCLWEZRU-HZYVHMACSA-O,C21H42N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)C=O)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26-29,31-36H,3,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.5518,-12.5124,-12.5108,-12.5089,-10.7774,-10.7333,4.9482,4.9893,5.0276,5.0441,5.896,D08531_A07AA04,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730220110200010000100000000a0c013000100004000802008903b0008100800000080030092001400d0014000002000a201000100222000402000080038000000002000c0003c80000da180020010000000000140000400,0d00007c30e001,0178c0010481804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed70392c0641c6df3ff1d,0,0,81,3,0,11,82,84,-17.384,-8.873,15,1.0,1.12867e-16,+,3.0959,-,3.0959,https://www.genome.jp/dbget-bin/www_bget?dr:D08531
781,D08531, Streptomycin (INN), Streptomycins,J01GA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2])N)O)NC(=[NH2])N)O[C@H]([C@@]1(C=O)O)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)[NH2+]C,584.5980000000001,-5.9577,133.614,340.35,60,14,16,LYQXVXOCLWEZRU-HZYVHMACSA-O,C21H42N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)C=O)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26-29,31-36H,3,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.6166,-12.6149,-12.4995,-12.4907,-10.8412,-10.8203,4.9857,4.9883,5.0832,5.0964,5.9038,D08531_J01GA01,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730220110200010000100000000a0c013000100004000802008903b0008100800000080030092001400d0014000002000a201000100222000402000080038000000002000c0003c80000da180020010000000000140000400,0d00007c30e001,0178c0010481804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed70392c0641c6df3ff1d,0,0,81,3,0,11,82,84,-17.384,-8.873,15,1.0,1.12867e-16,+,3.0959,-,3.0959,https://www.genome.jp/dbget-bin/www_bget?dr:D08531
782,D01350, Streptomycin sulfate (JP17/USP), Antibiotics,A07AA04,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2])N)O)NC(=[NH2])N)O[C@H]([C@@]1(C=O)O)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)[NH2+]C,584.5980000000001,-5.9577,133.614,340.35,60,14,16,LYQXVXOCLWEZRU-HZYVHMACSA-O,C21H42N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)C=O)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26-29,31-36H,3,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.6803,-12.5365,-12.5241,-12.5023,-11.0444,-10.8722,5.0071,5.0951,5.1061,5.1813,5.8389,D01350_A07AA04,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730220110200010000100000000a0c013000100004000802008903b0008100800000080030092001400d0014000002000a201000100222000402000080038000000002000c0003c80000da180020010000000000140000400,0d00007c30e001,0178c0010481804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed70392c0641c6df3ff1d,0,0,81,3,0,11,82,84,-17.396,-8.882,15,0.0,1.1247200000000002e-16,+,3.0959,-,3.0959,https://www.genome.jp/dbget-bin/www_bget?dr:D01350
783,D01350, Streptomycin sulfate (JP17/USP), Streptomycins,J01GA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2])N)O)NC(=[NH2])N)O[C@H]([C@@]1(C=O)O)C)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)[NH2+]C,584.5980000000001,-5.9577,133.614,340.35,60,14,16,LYQXVXOCLWEZRU-HZYVHMACSA-O,C21H42N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)C=O)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26-29,31-36H,3,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.8256,-12.7547,-12.6391,-12.5558,-10.8894,-10.6524,4.9411,4.9441,5.0285,5.1708,6.0931,D01350_J01GA01,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730220110200010000100000000a0c013000100004000802008903b0008100800000080030092001400d0014000002000a201000100222000402000080038000000002000c0003c80000da180020010000000000140000400,0d00007c30e001,0178c0010481804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed70392c0641c6df3ff1d,0,0,81,3,0,11,82,84,-17.396,-8.882,15,0.0,1.1247200000000002e-16,+,3.0959,-,3.0959,https://www.genome.jp/dbget-bin/www_bget?dr:D01350
784,D07467, Paromomycin (INN), Antibiotics,A07AA06,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)CO)[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.668,-12.4457,139.849,355.42,64,13,14,UOZODPSAJZTQNH-LSWIJEOBSA-S,C23H50N5O14+++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(CO)C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+5/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4039,-5.396,-5.3765,-5.3743,-5.3738,-5.3607,2.605,2.6107,2.6979,2.7206,3.1210000000000004,D07467_A07AA06,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,95,0,0,9,92,95,-20.804000000000002,-12.708,19,0.0,1.05947e-27,+,3.301,-,3.301,https://www.genome.jp/dbget-bin/www_bget?dr:D07467
785,D00868, Paromomycin sulfate (JAN/USP), Antibiotics,A07AA06,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)CO)[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.668,-12.4457,139.849,355.42,64,13,14,UOZODPSAJZTQNH-LSWIJEOBSA-S,C23H50N5O14+++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(CO)C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+5/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.3768,-5.372999999999999,-5.3721,-5.3692,-5.3519,-5.3492,2.6108,2.6396,2.6499,2.6673,2.9765,D00868_A07AA06,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,95,0,0,9,92,95,-20.64,-12.57,19,1.0,4.0023999999999997e-28,+,3.301,-,3.301,https://www.genome.jp/dbget-bin/www_bget?dr:D00868
786,D00866, Kanamycin sulfate (USP), Antibiotics,A07AA08,ALIMENTARY TRACT AND METABOLISM,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.3791,-5.3661,-5.3652,-5.3607,-5.3605,-5.3591,2.3549,2.5451,2.5537,3.0255,3.1044,D00866_A07AA08,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,,6.790930000000001e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D00866
787,D00866, Kanamycin sulfate (USP), Other aminoglycosides,J01GB04,ANTIINFECTIVES FOR SYSTEMIC USE,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.4322,-5.3677,-5.3666,-5.3638,-5.3584,-5.3576,2.3914,2.4988,2.5379,2.6371,3.1958,D00866_J01GB04,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,,6.790930000000001e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D00866
788,D00866, Kanamycin sulfate (USP), Antibiotics,S01AA24,SENSORY ORGANS,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.3881,-5.3702,-5.3626,-5.3612,-5.3564,-5.3472,2.2817,2.3705,3.1667,3.1883,3.2328,D00866_S01AA24,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,,6.790930000000001e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D00866
789,D03262, Kanamycin sulfate (JP17), Antibiotics,A07AA08,ALIMENTARY TRACT AND METABOLISM,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.3729,-5.3714,-5.3645,-5.3616,-5.3612,-5.3565,2.4199,2.498,2.5504,2.8748,3.2482,D03262_A07AA08,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,2.0,6.223439999999999e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D03262
790,D03262, Kanamycin sulfate (JP17), Other aminoglycosides,J01GB04,ANTIINFECTIVES FOR SYSTEMIC USE,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.3845,-5.3743,-5.3659,-5.3629,-5.362,-5.3574,2.3224,2.3685,2.48,2.5204,2.9673,D03262_J01GB04,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,2.0,6.223439999999999e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D03262
791,D03262, Kanamycin sulfate (JP17), Antibiotics,S01AA24,SENSORY ORGANS,O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)[NH3+])[NH3+],488.53,-10.1586,110.631,289.09,51,11,11,SBUJHOSQTJFQJX-NOAMYHISSA-R,C18H40N4O11++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",-5.3861,-5.3724,-5.3636,-5.3618,-5.3613,-5.3579,2.3153,2.3681,2.522,2.6757,2.7848,D03262_S01AA24,000000000000e000000004000202000020000024000200000000000000040010100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,75,0,0,6,73,75,-19.185,-11.335,15,2.0,6.223439999999999e-24,+,1.7515,-,1.7515,https://www.genome.jp/dbget-bin/www_bget?dr:D03262
792,D00212, Vancomycin (USP), Antibiotics,A07AA09,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(C[C@]([C@@H]([C@@H](O1)C)O)(C)[NH3+])O[C@H]1[C@H](Oc2c3cc4cc2Oc2c(cc(cc2)[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H]2c4cc(c5c([C@@H](NC(=O)[C@H]([C@@H](c6cc(c(O3)cc6)Cl)O)NC2=O)C(=O)O)cc(cc5O)O)c(cc4)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO,1451.27,1.0984,370.842,536.69,107,19,31,MYPYJXKWCTUITO-UEMMPEJOSA-P,C66H77Cl2N9O24++,OCC1OC(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC(=O)C(C(c4ccc(O3)c(Cl)c4)O)NC(=O)C(CC(C)C)[NH2+]C)c3ccc(c(c3)c3c(O)cc(cc3C(NC2=O)C(=O)O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1)(C)[NH3+])O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+2/t24-,34+,35-,42+,44-,46+,47+,48+,49-,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",-5.6904,-5.6435,-5.3959,-5.3562,-5.3391,-4.8725,2.9412,2.9443,3.0812,3.0954,3.125,D00212_A07AA09,402783000066e4e01b0806008243000d6140a1b400407218808900c0013c800018c05c8ba3400017208f283820035680010a42001ea0c815051000020000a21808b02e0281043cf10120a82216c8c01f00f8034000003048e0090911802930004c10002a00280456004800aec11128800007a114080110200976805741a00304,0500003cf2f003,0738c40104018040000088002e0000c0010000000005000000000000000000000000c637c02a04,000000000000310182c24a5fd3fd9d65bcfdf3ff1f,0,30,149,8,0,14,178,187,-7.277,-4.266,18,1.0,0.058061209,+,26.9145,-,26.9145,https://www.genome.jp/dbget-bin/www_bget?dr:D00212
793,D00212, Vancomycin (USP), Glycopeptide antibacterials,J01XA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(C[C@]([C@@H]([C@@H](O1)C)O)(C)[NH3+])O[C@H]1[C@H](Oc2c3cc4cc2Oc2c(cc(cc2)[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H]2c4cc(c5c([C@@H](NC(=O)[C@H]([C@@H](c6cc(c(O3)cc6)Cl)O)NC2=O)C(=O)O)cc(cc5O)O)c(cc4)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO,1451.27,1.0984,370.842,536.69,107,19,31,MYPYJXKWCTUITO-UEMMPEJOSA-P,C66H77Cl2N9O24++,OCC1OC(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC(=O)C(C(c4ccc(O3)c(Cl)c4)O)NC(=O)C(CC(C)C)[NH2+]C)c3ccc(c(c3)c3c(O)cc(cc3C(NC2=O)C(=O)O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1)(C)[NH3+])O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+2/t24-,34+,35-,42+,44-,46+,47+,48+,49-,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",-5.7121,-5.6929,-5.3902,-5.3712,-5.321000000000001,-4.8134,2.8267,2.9234,2.9426,3.0991,3.1611,D00212_J01XA01,402783000066e4e01b0806008243000d6140a1b400407218808900c0013c800018c05c8ba3400017208f283820035680010a42001ea0c815051000020000a21808b02e0281043cf10120a82216c8c01f00f8034000003048e0090911802930004c10002a00280456004800aec11128800007a114080110200976805741a00304,0500003cf2f003,0738c40104018040000088002e0000c0010000000005000000000000000000000000c637c02a04,000000000000310182c24a5fd3fd9d65bcfdf3ff1f,0,30,149,8,0,14,178,187,-7.277,-4.266,18,1.0,0.058061209,+,26.9145,-,26.9145,https://www.genome.jp/dbget-bin/www_bget?dr:D00212
794,D00926, Vancomycin hydrochloride (JP17/USP), Antibiotics,A07AA09,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(C[C@]([C@@H]([C@@H](O1)C)O)(C)[NH3+])O[C@H]1[C@H](Oc2c3cc4cc2Oc2c(cc(cc2)[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H]2c4cc(c5c([C@@H](NC(=O)[C@H]([C@@H](c6cc(c(O3)cc6)Cl)O)NC2=O)C(=O)O)cc(cc5O)O)c(cc4)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO,1451.27,1.0984,370.842,536.69,107,19,31,MYPYJXKWCTUITO-UEMMPEJOSA-P,C66H77Cl2N9O24++,OCC1OC(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC(=O)C(C(c4ccc(O3)c(Cl)c4)O)NC(=O)C(CC(C)C)[NH2+]C)c3ccc(c(c3)c3c(O)cc(cc3C(NC2=O)C(=O)O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1)(C)[NH3+])O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+2/t24-,34+,35-,42+,44-,46+,47+,48+,49-,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",-5.7029,-5.6748,-5.3871,-5.3761,-5.3455,-4.8633,2.7265,2.7706,2.9386,2.9393,3.1318,D00926_A07AA09,402783000066e4e01b0806008243000d6140a1b400407218808900c0013c800018c05c8ba3400017208f283820035680010a42001ea0c815051000020000a21808b02e0281043cf10120a82216c8c01f00f8034000003048e0090911802930004c10002a00280456004800aec11128800007a114080110200976805741a00304,0500003cf2f003,0738c40104018040000088002e0000c0010000000005000000000000000000000000c637c02a04,000000000000310182c24a5fd3fd9d65bcfdf3ff1f,0,30,149,8,0,14,178,187,-7.273,-4.266,18,0.0,0.047940385,+,26.9145,-,26.9145,https://www.genome.jp/dbget-bin/www_bget?dr:D00926
795,D00926, Vancomycin hydrochloride (JP17/USP), Glycopeptide antibacterials,J01XA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(C[C@]([C@@H]([C@@H](O1)C)O)(C)[NH3+])O[C@H]1[C@H](Oc2c3cc4cc2Oc2c(cc(cc2)[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H]2c4cc(c5c([C@@H](NC(=O)[C@H]([C@@H](c6cc(c(O3)cc6)Cl)O)NC2=O)C(=O)O)cc(cc5O)O)c(cc4)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO,1451.27,1.0984,370.842,536.69,107,19,31,MYPYJXKWCTUITO-UEMMPEJOSA-P,C66H77Cl2N9O24++,OCC1OC(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC(=O)C(C(c4ccc(O3)c(Cl)c4)O)NC(=O)C(CC(C)C)[NH2+]C)c3ccc(c(c3)c3c(O)cc(cc3C(NC2=O)C(=O)O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1)(C)[NH3+])O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/p+2/t24-,34+,35-,42+,44-,46+,47+,48+,49-,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",-5.7386,-5.7037,-5.3874,-5.3872,-5.316,-4.8108,2.7898,2.9027,3.0261,3.1007,3.286,D00926_J01XA01,402783000066e4e01b0806008243000d6140a1b400407218808900c0013c800018c05c8ba3400017208f283820035680010a42001ea0c815051000020000a21808b02e0281043cf10120a82216c8c01f00f8034000003048e0090911802930004c10002a00280456004800aec11128800007a114080110200976805741a00304,0500003cf2f003,0738c40104018040000088002e0000c0010000000005000000000000000000000000c637c02a04,000000000000310182c24a5fd3fd9d65bcfdf3ff1f,0,30,149,8,0,14,178,187,-7.273,-4.266,18,0.0,0.047940385,+,26.9145,-,26.9145,https://www.genome.jp/dbget-bin/www_bget?dr:D00926
796,D02554, Rifaximin (JAN/USAN/INN), Antibiotics,A07AA11,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C/[C@@H]([C@H](O)[C@H]1C)C)/C)c1c(c4c3C2=O)nc2n1ccc(c2)C)O)O)C)C)C)C)O,785.8789999999999,6.2958,219.23,198.38,64,5,14,NZCRJKRKKOLAOJ-NBVONZCTSA-N,C43H51N3O11,COC1C=COC2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22-,23+,24-,27-,35-,36+,39+,43-/m0/s1",-4.4159,-4.1072,-3.5423,-2.9734,-2.8952,-2.8775,1.5399,1.6037,1.6102,1.6157,1.9641,D02554_A07AA11,f806210400a406e40b004e0040c34701840040a0c8cc562000001080222400001680408000e08061a88e061820411440010a06809060690d0c8100b2040086281c702c0845040e030000f12226888288f8d1006004823c4948085841000921014416000000800a461140020a41100c6021070dd00941992008d8048103520004,1400042c72b005,15a80000000081400002900020000000400100000001980000000000000000000000c640437805,000000002000320181d814d917a19167c4fdfbfa1f,0,20,87,6,0,3,108,113,-7.806,-0.742,9,,,+,7.2505,-,7.2505,https://www.genome.jp/dbget-bin/www_bget?dr:D02554
797,D02554, Rifaximin (JAN/USAN/INN), Other antibiotics for topical use,D06AX11,DERMATOLOGICALS,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C/[C@@H]([C@H](O)[C@H]1C)C)/C)c1c(c4c3C2=O)nc2n1ccc(c2)C)O)O)C)C)C)C)O,785.8789999999999,6.2958,219.23,198.38,64,5,14,NZCRJKRKKOLAOJ-NBVONZCTSA-N,C43H51N3O11,COC1C=COC2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22-,23+,24-,27-,35-,36+,39+,43-/m0/s1",-4.4567,-4.1046,-3.5485,-2.9509,-2.8761,-2.8724,1.6361,1.7512,1.7807,1.952,2.3408,D02554_D06AX11,f806210400a406e40b004e0040c34701840040a0c8cc562000001080222400001680408000e08061a88e061820411440010a06809060690d0c8100b2040086281c702c0845040e030000f12226888288f8d1006004823c4948085841000921014416000000800a461140020a41100c6021070dd00941992008d8048103520004,1400042c72b005,15a80000000081400002900020000000400100000001980000000000000000000000c640437805,000000002000320181d814d917a19167c4fdfbfa1f,0,20,87,6,0,3,108,113,-7.806,-0.742,9,,,+,7.2505,-,7.2505,https://www.genome.jp/dbget-bin/www_bget?dr:D02554
798,D09394, Fidaxomicin (JAN/USAN), Antibiotics,A07AA12,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(/C=C(\[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@@H]1OC([C@H]([C@@H]([C@@H]1O)O)OC(=O)C(C)C)(C)C)\C)\C)[C@H](O)C)\CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1O)Cl)O)Cl)CC)O)OC)O)/C)CC,1058.04,6.2344,268.585,266.66,92,7,18,ZVGNESXIJDCBKN-LGPUCNCQSA-N,C52H74Cl2O18,COC1C(OCC2=CC=CCC(O)C(=CC(CC)C(C(=CC(=CCC(OC2=O)C(O)C)C)C)OC2OC(C)(C)C(C(C2O)O)OC(=O)C(C)C)C)OC(C(C1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C,"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22-,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1",-4.7246,-4.5108,-4.4534,-3.1808,-3.1518,-3.1241,1.7425,1.8653,1.8815,1.9252,1.9508,D09394_A07AA12,100402060000a0c40a08020041028000200000a402605e00002e0080003420001600400800e04005601b02382004100001aa020090a0493100000002000882000cb02a02040400800004a3222680021a00984040000200486008180100212001420c00280028100621cca20050013dc000038100090d00a0080804d341800400,0400002c32b005,17a80000000180400000b00000000000c001000000050000000000000000000000000677437805,0000000000003201820a4017c69c8b64acddb3d71e,0,6,135,8,0,15,146,149,-8.835,-0.565,14,0.0,0.973331153,+,11.385,-,11.385,https://www.genome.jp/dbget-bin/www_bget?dr:D09394
799,D02440, Phthalylsulfathiazole (INN), Sulfonamides,A07AB02,ALIMENTARY TRACT AND METABOLISM,c1(c(cccc1)C(=O)O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,403.43199999999996,4.1212,100.40100000000001,162.08,20,3,9,PBMSWVPMRUJMPE-UHFFFAOYSA-N,C17H13N3O5S2,O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)",-9.3883,-9.3438,-8.6199,-4.4166,-4.2663,-4.1865,2.4145,2.4619999999999997,2.5506,2.5654,3.8901,D02440_A07AB02,60020100200104c00120062008850000cc000084000000000004008c000000000c00410804280120a09f228a000012c0016020001000500880000002002004000c006c0040203080010030000088000000c80070042a280040080000000100000890020ac001020000c00080160000000106b110000180010028880012400300,0400000c00b003,0000000000000000000088000a000000000100000000d000000024000000000000000640402800,000000800940449e151185a821a2900dd6ad6b7a1f,0,17,21,4,0,7,40,42,-4.917,0.053,0,,0.00185495,-,1.3709,-,1.3709,https://www.genome.jp/dbget-bin/www_bget?dr:D02440
800,D02437, Sulfaguanidine (INN), Sulfonamides,A07AB03,ALIMENTARY TRACT AND METABOLISM,c1(S(=O)(=O)[NH]=C(N)N)ccc(cc1)N,215.253,2.5077,54.0029,144.43,17,4,5,LGFZPMRNOFQIGM-UHFFFAOYSA-N,C7H11N4O2S,Nc1ccc(cc1)S(=O)(=O)[NH]=C(N)N,"InChI=1S/C7H11N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4,11H,8-10H2",-12.5104,-12.4196,-12.0527,-10.9489,-10.5924,-10.5389,3.9395,4.7782,4.9574,5.0821,5.8886,D02437_A07AB03,2000010000000000000006200000040048000000000000400000400000000000080040080000002000000008000000c000200000000000000020200000000004000000004400228001000802000000000080002004200000428800000000000000000000000000000000000010000000000ab004000000010020800012000000,0000000000b021,000040080000000000000000000000000040000000000000000020000000000000000240403800,000000810104449e1431892021825008d62048681f,0,6,16,3,0,2,25,25,-12.017999999999999,-5.33,0,0.0,1.31869e-05,-,0.3884,-,0.3884,https://www.genome.jp/dbget-bin/www_bget?dr:D02437
801,D07060, Succinylsulfathiazole (INN), Sulfonamides,A07AB04,ALIMENTARY TRACT AND METABOLISM,OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,355.389,2.9739999999999998,84.9262,162.08,20,3,9,SKVLYVHULOWXTD-UHFFFAOYSA-N,C13H13N3O5S2,O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CCC(=O)O,"InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",-9.4233,-9.287,-8.6046,-4.5796,-4.4267,-4.1983,2.399,2.4438,2.5562,2.5706,3.9577,D07060_A07AB04,600a810000010000012006200a840000cc000014000000000000000c000000001800410804280021801e209a000010c0016020001000400880000000002004000c006c0040203280010010000080000400900070042a2800c008000000000000088002024001020000200080160010200106b000000090010020880012400700,0400000c00b003,0200000000000000000088000a000000000000000000d000000024000000000000000640402800,000000800940449e151185aaa1e2b00dde2d4e7e1f,0,11,22,4,0,8,36,37,-4.669,-0.221,0,1.0,8.674770000000001e-05,-,1.2238,-,1.2238,https://www.genome.jp/dbget-bin/www_bget?dr:D07060
802,D02447, Succinylsulfathiazole, Sulfonamides,A07AB04,ALIMENTARY TRACT AND METABOLISM,C(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CC(=O)O,355.389,2.9739999999999998,84.9262,162.08,20,3,9,SKVLYVHULOWXTD-UHFFFAOYSA-N,C13H13N3O5S2,O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CCC(=O)O,"InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",-9.4181,-9.2892,-8.6678,-4.573,-4.4263,-4.1815,2.4314,2.4334,2.5548,2.6178,3.9739999999999998,D02447_A07AB04,600a810000010000012006200a840000cc000014000000000000000c000000001800410804280021801e209a000010c0016020001000400880000000002004000c006c0040203280010010000080000400900070042a2800c008000000000000088002024001020000200080160010200106b000000090010020880012400700,0400000c00b003,0200000000000000000088000a000000000000000000d000000024000000000000000640402800,000000800940449e151185aaa1e2b00dde2d4e7e1f,0,11,22,4,0,8,36,37,-4.673,-0.22699999999999998,0,,8.754629999999999e-05,-,1.2286,-,1.2286,https://www.genome.jp/dbget-bin/www_bget?dr:D02447
803,D07109, Broxyquinoline (INN), Other intestinal antiinfectives,A07AX01,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(n1)c(c(cc2Br)Br)O,302.95,3.4654,59.166000000000004,33.12,7,1,2,ZDASUJMDVPTNTF-UHFFFAOYSA-N,C9H5Br2NO,Brc1cc(Br)c2c(c1O)nccc2,"InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.0484,-1.962,-1.0582,-1.0018,-0.6489,-0.45899999999999996,0.318,0.3214,0.4815,0.5568,0.8782,D07109_A07AX01,000000090800040000000e00000000000000000000004600000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000100400012080000008000000400001040080001000000000000200800000002040000000000040000020000004000600880000002400000,0000000402b001,000000000000000000000000000000000000000000119000000000000000000000004600400000,0000000000200000010040401205014120c5a1181f,0,11,8,0,0,0,18,19,-9.176,-1.0590000000000002,0,1.0,0.322810024,+,0.2615,-,0.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D07109
804,D07109, Broxyquinoline (INN), Quinoline derivatives,G01AC06,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(n1)c(c(cc2Br)Br)O,302.95,3.4654,59.166000000000004,33.12,7,1,2,ZDASUJMDVPTNTF-UHFFFAOYSA-N,C9H5Br2NO,Brc1cc(Br)c2c(c1O)nccc2,"InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.0484,-1.962,-1.0582,-1.0018,-0.6489,-0.45899999999999996,0.318,0.3214,0.4815,0.5568,0.8782,D07109_G01AC06,000000090800040000000e00000000000000000000004600000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000100400012080000008000000400001040080001000000000000200800000002040000000000040000020000004000600880000002400000,0000000402b001,000000000000000000000000000000000000000000119000000000000000000000004600400000,0000000000200000010040401205014120c5a1181f,0,11,8,0,0,0,18,19,-9.176,-1.0590000000000002,0,1.0,0.322810024,+,0.2615,-,0.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D07109
805,D07109, Broxyquinoline (INN), Hydroxyquinoline derivatives,P01AA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1ccc2c(n1)c(c(cc2Br)Br)O,302.95,3.4654,59.166000000000004,33.12,7,1,2,ZDASUJMDVPTNTF-UHFFFAOYSA-N,C9H5Br2NO,Brc1cc(Br)c2c(c1O)nccc2,"InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.0484,-1.962,-1.0582,-1.0018,-0.6489,-0.45899999999999996,0.318,0.3214,0.4815,0.5568,0.8782,D07109_P01AA01,000000090800040000000e00000000000000000000004600000000000004000000000080000080200880000800000040000002000000200000000000000000000c000400400000000100400012080000008000000400001040080001000000000000200800000002040000000000040000020000004000600880000002400000,0000000402b001,000000000000000000000000000000000000000000119000000000000000000000004600400000,0000000000200000010040401205014120c5a1181f,0,11,8,0,0,0,18,19,-9.176,-1.0590000000000002,0,1.0,0.322810024,+,0.2615,-,0.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D07109
806,D07111, Nifuroxazide (INN), Other intestinal antiinfectives,A07AX03,ALIMENTARY TRACT AND METABOLISM,c1(ccc(o1)/C=N/NC(=O)c1ccc(cc1)O)[N](=O)O,276.225,2.4628,69.1407,124.49,16,3,5,DHPFYKMXAADCRW-NTUHNPAUSA-N,C12H10N3O5,Oc1ccc(cc1)C(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C12H10N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)(H,18,19)/b13-7+",-5.672000000000001,-4.5967,-3.6239999999999997,-2.7026,-2.077,-1.9326,1.297,1.3954,1.4392,1.9803,2.0380000000000003,D07111_A07AX03,80000004000025800a044e00080000011000000810202244000840c00000000004004800000044600086020800000a01000802100014030000000082015000021e0008422000002000010000028c01c00090804064000004610800000043001d0a5020010100000240100000000000108046010001010a20380a22000e008800,0500000402f001,00000000000000000000800000000000000100000001a000000000000000000000000640c32a00,0000800000008941f02004e82120514ad66dca7a1f,0,11,17,3,0,5,30,31,-10.041,-2.2,0,1.0,0.126857743,+,0.6139,-,0.6139,https://www.genome.jp/dbget-bin/www_bget?dr:D07111
807,D07251, Nifurzide (INN), Other intestinal antiinfectives,A07AX04,ALIMENTARY TRACT AND METABOLISM,c1(ccc(s1)C(=O)N/N=C/C=C/c1oc(cc1)[N](=O)O)[N](=O)O,338.296,3.8066,82.1682,182.16,17,3,5,CDLZVLHFQSFDQY-BIZLIJPVSA-N,C12H10N4O6S,O=C(c1ccc(s1)[N](=O)O)NN=CC=Cc1ccc(o1)[N](=O)O,"InChI=1S/C12H10N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)(H,18,19)(H,20,21)/b2-1+,13-7+",-5.6713,-5.6712,-4.7846,-4.6,-4.5956,-2.7267,1.8291,1.9886,2.0405,2.0477,2.5388,D07251_A07AX04,8228c104004040840a044e00600040011400005810204044011040440000002204004910004040608086014800100a0208880010020c00001800100a01740103160010022220002221000001108c01428000804064020404a30000800043801c0a543055810920804010011008040010000e008002010a03300a218046000114,0500000000f001,10000000000000000000800000000000000100000000e000000000000000000000000640c37a00,0000800008408941f02085e82420d00ad62dca6a1b,0,10,19,5,0,7,33,34,-10.035,-2.499,0,-8.0,0.779531538,+,1.8091,-,1.8091,https://www.genome.jp/dbget-bin/www_bget?dr:D07251
808,D07861, Diphenoxylate (INN), Antipropulsives,A07DA01,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(CC[N@@H+]1CC[C@](CC1)(C(=O)OCC)c1ccccc1)C#N,453.595,5.6353800000000005,139.719,54.53,36,1,3,HYPPXZBJBPSRLK-UHFFFAOYSA-O,C30H33N2O2+,CCOC(=O)C1(CC[NH+](CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3/p+1",-6.0373,-4.6066,-4.596,-4.5058,-4.4155,-3.0025,1.5798,1.5971,1.6034,1.6042,1.6769,D07861_A07DA01,802e8000002000000a000600800200000000005000020000000000a0000400001000500000048001000a001820010100010200000000400400000002000042080c100c000000044000000000028000050090015000003008c00808000008000040200021000000000000000040001000000f0100000110000002000100000200,0500000030f015,0b0040020400000000009000000000001000000000000000000000000000000000000600c02204,0000000000010120020432048ad022a701234df71f,0,18,50,1,1,9,67,70,-12.424000000000001,-3.839,0,0.0,0.848588109,-,1.0756,-,1.0756,https://www.genome.jp/dbget-bin/www_bget?dr:D07861
809,D03860, Diphenoxylate hydrochloride (USP), Antipropulsives,A07DA01,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(CC[N@@H+]1CC[C@](CC1)(C(=O)OCC)c1ccccc1)C#N,453.595,5.6353800000000005,139.719,54.53,36,1,3,HYPPXZBJBPSRLK-UHFFFAOYSA-O,C30H33N2O2+,CCOC(=O)C1(CC[NH+](CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3/p+1",-6.0337,-4.5978,-4.5907,-4.4939,-4.4174,-3.0043,1.5578,1.575,1.5929,1.6013,1.661,D03860_A07DA01,802e8000002000000a000600800200000000005000020000000000a0000400001000500000048001000a001820010100010200000000400400000002000042080c100c000000044000000000028000050090015000003008c00808000008000040200021000000000000000040001000000f0100000110000002000100000200,0500000030f015,0b0040020400000000009000000000001000000000000000000000000000000000000600c02204,0000000000010120020432048ad022a701234df71f,0,18,50,1,1,9,67,70,-12.366,-3.7289999999999996,0,-1.0,0.871286213,-,1.0756,-,1.0756,https://www.genome.jp/dbget-bin/www_bget?dr:D03860
810,D08144, Loperamide (INN), Antipropulsives,A07DA03,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)N(C)C)CC[N@@H+]1CC[C@@](CC1)(c1ccc(cc1)Cl)O,478.045,5.2401,143.145,44.98,37,2,3,RDOIQAHITMMDAJ-UHFFFAOYSA-O,C29H34ClN2O2+,Clc1ccc(cc1)C1(O)CC[NH+](CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3/p+1",-6.0341,-4.6079,-4.5584,-4.5101,-3.8281,-3.8169999999999997,1.5999,1.6906,1.785,1.8456,2.4098,D08144_A07DA03,00268200002000400b000600800000040000005000000400000000a001200000100050818000000120072018000100000102000000008000000000020000000008000c000000004000000000a68000070098035000003008c0080800000920000000002100000000004000000000000000060100000110000002000100800200,0500004c00f001,0a4840020400000000008000120000000000000000040000000000000000000000000600c02204,00000000000011200206721ecbec30c32d67ddff1f,0,18,52,1,0,8,68,71,-11.734000000000002,-3.645,0,-4.0,0.8952524070000001,+,1.5,-,1.5,https://www.genome.jp/dbget-bin/www_bget?dr:D08144
811,D00729, Loperamide hydrochloride (JAN/USP), Antipropulsives,A07DA03,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)N(C)C)CC[N@@H+]1CC[C@@](CC1)(c1ccc(cc1)Cl)O,478.045,5.2401,143.145,44.98,37,2,3,RDOIQAHITMMDAJ-UHFFFAOYSA-O,C29H34ClN2O2+,Clc1ccc(cc1)C1(O)CC[NH+](CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3/p+1",-6.0615,-4.6225,-4.6041,-4.5991,-3.8614,-3.8361,1.6425,1.7353,1.7872,2.0415,2.3931,D00729_A07DA03,00268200002000400b000600800000040000005000000400000000a001200000100050818000000120072018000100000102000000008000000000020000000008000c000000004000000000a68000070098035000003008c0080800000920000000002100000000004000000000000000060100000110000002000100800200,0500004c00f001,0a4840020400000000008000120000000000000000040000000000000000000000000600c02204,00000000000011200206721ecbec30c32d67ddff1f,0,18,52,1,0,8,68,71,-11.753,-3.639,0,,0.895225525,+,1.5,-,1.5,https://www.genome.jp/dbget-bin/www_bget?dr:D00729
812,D03809, Difenoxin (USAN/INN), Antipropulsives,A07DA04,ALIMENTARY TRACT AND METABOLISM,C(c1ccccc1)(c1ccccc1)(CC[N@@H+]1CC[C@](CC1)(C(=O)O)c1ccccc1)C#N,425.542,5.15688,130.591,65.53,31,2,3,UFIVBRCCIRTJTN-UHFFFAOYSA-O,C28H29N2O2+,N#CC(c1ccccc1)(c1ccccc1)CC[NH+]1CCC(CC1)(C(=O)O)c1ccccc1,"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)/p+1",-6.0232,-4.611000000000001,-4.5853,-4.5756,-4.5167,-4.4159,1.6019999999999999,1.6862,1.8367,2.1949,2.3815,D03809_A07DA04,802e8000002000000a000600800000000000005000000000000000a0000000001000500000048001000a001800010000010200000000400000000002000040080c000c000000044000000000028000050090015000003008c00808000008000000200021000000000000000040001000000e0100000110000002000100000200,0500000c00f013,0a0040020400000000008800000000001000000000000000000000000000000000000600c02a04,0000000000010120020432068ac0208705274d771f,0,18,44,1,1,7,61,64,-7.619,-1.149,0,,0.004430796,-,1.0143,-,1.0143,https://www.genome.jp/dbget-bin/www_bget?dr:D03809
813,D07113, Loperamide oxide (INN), Antipropulsives,A07DA05,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(c1ccccc1)(C(=O)N(C)C)CC[N@@+]1(CC[C@@](CC1)(c1ccc(cc1)Cl)O)O,494.045,4.9508,143.969,60.77,37,2,4,YHUMNRLKMONOOJ-AQRVQBIZSA-N,C29H34ClN2O3+,Clc1ccc(cc1)C1(O)CC[N+](CC1)(O)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1,"InChI=1S/C29H34ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34-35H,17-22H2,1-2H3/q+1/t28-,32+",-3.8932,-3.805,-3.5771,-3.5734,-3.4616,-2.8897,1.4023,1.4356,1.4691,1.7768,2.0989,D07113_A07DA05,00268202002000400b000600800000040000005000000400000000a001200000100050818000000120072018000100000102040000008000000000020000000018000c000000004000000000b68000070098035000003008c008080000092000000000210000000c004000000000000000060100000110401002000100800200,0500004c00f001,0a4800000000000000008000120000000000000000040000000000000000000000000600c02204,00108020000001205206703aebec30cb2d679fff1f,0,18,53,1,0,8,69,72,-8.686,0.038,0,0.0,0.884744942,+,1.7011,-,1.7011,https://www.genome.jp/dbget-bin/www_bget?dr:D07113
814,D00472, Prednisolone (JP17/USP/INN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6287,-2.9696,-2.3638,-2.3128,-1.9176,-1.8504,1.4256,1.4456,1.4672,1.4835,1.6805,D00472_A07EA01,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
815,D00472, Prednisolone (JP17/USP/INN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.638,-2.9781,-2.3537,-2.3408,-1.9346,-1.7976,1.344,1.4118,1.439,1.5674,1.6589,D00472_C05AA04,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
816,D00472, Prednisolone (JP17/USP/INN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6106,-2.9797,-2.3545,-2.343,-1.9345,-1.7832,1.3439,1.4021,1.4335,1.5423,1.5939,D00472_D07AA03,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
817,D00472, Prednisolone (JP17/USP/INN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6013,-2.9639,-2.3569999999999998,-2.3279,-1.9347,-1.8401,1.3375,1.3905,1.4129,1.4427,1.9145,D00472_D07XA02,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
818,D00472, Prednisolone (JP17/USP/INN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6302,-2.9719,-2.3598,-2.3223,-1.9218,-1.8437,1.3983,1.4235,1.4458,1.4551,1.7530000000000001,D00472_H02AB06,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
819,D00472, Prednisolone (JP17/USP/INN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6042,-2.9792,-2.3498,-2.3426,-1.9344,-1.7985,1.3319999999999999,1.4097,1.4387,1.5693,1.5812,D00472_R01AD02,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
820,D00472, Prednisolone (JP17/USP/INN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.641,-2.9792,-2.3497,-2.3426,-1.9344,-1.7975,1.3356,1.4096,1.4391,1.5665,1.5826,D00472_S01BA04,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
821,D00472, Prednisolone (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6391,-2.9649,-2.3618,-2.3295,-1.9342,-1.8303,1.3353,1.4097,1.4142,1.4376,1.7734,D00472_S01CB02,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
822,D00472, Prednisolone (JP17/USP/INN), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6253,-2.9773,-2.3583,-2.3276,-1.9198,-1.8319999999999999,1.125,1.4242,1.4456,1.5430000000000001,1.7579,D00472_S02BA03,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
823,D00472, Prednisolone (JP17/USP/INN), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C,360.444,1.5576,97.0604,94.83,33,3,5,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.6208,-2.9766,-2.3541,-2.349,-1.9329,-1.8119999999999998,1.3388,1.4099,1.4443,1.5654,1.7777,D00472_S03BA02,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.338,-0.547,7,0.0,0.105007179,-,1.8717,-,1.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D00472
824,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.3749,-3.6273,-3.0148,-2.9848,-2.3381,-1.9344,1.4083,1.4182,1.4201,1.4278,1.5359,D00980_A07EA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
825,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4402,-3.6266,-2.9904,-2.9766,-2.3377,-1.9279,1.3886,1.4145,1.4414,1.537,1.5628,D00980_C05AA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
826,D00980, Prednisolone acetate (JP17/USP/INN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4434,-3.6303,-2.9989,-2.9786,-2.3439,-1.9344,1.3993,1.4107,1.4280000000000002,1.4391,1.5391,D00980_D07AA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
827,D00980, Prednisolone acetate (JP17/USP/INN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4472,-3.6286,-2.9898,-2.9741,-2.3226,-1.9212,1.391,1.4235,1.4399,1.5119999999999998,1.5362,D00980_D07XA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
828,D00980, Prednisolone acetate (JP17/USP/INN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.3976,-3.6311,-3.0192,-2.9804,-2.3413,-1.9339,1.3355,1.3695,1.3983,1.4339,1.5406,D00980_H02AB06,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
829,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4466,-3.6301,-3.005,-2.9757,-2.3455,-1.9347,1.3685,1.4044,1.4474,1.5451,1.5493,D00980_R01AD02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
830,D00980, Prednisolone acetate (JP17/USP/INN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4619,-3.6297,-3.0053,-2.9838,-2.3377,-1.9339,1.376,1.3954,1.3979,1.4326,1.5464,D00980_S01BA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
831,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4337,-3.6298,-2.9971,-2.9776,-2.3459,-1.935,1.4075,1.4399,1.4402,1.5384,1.5558,D00980_S01CB02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
832,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.5158,-3.6308,-2.9779,-2.9768,-2.3427,-2.0804,1.4109,1.4346,1.5206,1.5399,1.5676,D00980_S02BA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
833,D00980, Prednisolone acetate (JP17/USP/INN), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C,402.481,2.1284,106.79799999999999,100.9,36,2,6,LRJOMUJRLNCICJ-JZYPGELDSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",-4.4432,-3.6271,-2.9928,-2.975,-2.3293,-1.9196,1.3837,1.4053,1.4281,1.4364,1.5388,D00980_S03BA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,57,5,0,4,59,62,-10.18,-0.42,7,1.0,0.163551673,-,2.3735,-,2.3735,https://www.genome.jp/dbget-bin/www_bget?dr:D00980
834,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5685,-10.5366,-10.2453,-7.532,-3.9903,-3.5868,2.9995,3.0229,3.0467,3.491,5.1044,D00981_A07EA01,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
835,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5689,-10.5205,-10.2623,-7.5097,-3.7016,-3.595,2.9888,2.9975,3.0023,3.4819,5.0666,D00981_C05AA04,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
836,D00981, Prednisolone sodium phosphate (JP17/USP," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5505,-10.5373,-10.2578,-7.5152,-3.9302,-3.6658,3.0148,3.0336,3.1815,3.4583,5.0931,D00981_D07AA03,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
837,D00981, Prednisolone sodium phosphate (JP17/USP," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5479,-10.5423,-10.2635,-7.5152,-3.6075,-3.5034,2.9730000000000003,2.9829,3.0222,3.5118,5.0457,D00981_D07XA02,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
838,D00981, Prednisolone sodium phosphate (JP17/USP, Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5746,-10.5174,-10.2534,-7.5256,-3.841,-3.6416,2.9831,3.0017,3.0176,3.5211,5.0551,D00981_H02AB06,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
839,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5603,-10.5601,-10.241,-7.5111,-4.0827,-3.6611,2.9762,3.0323,3.1018,3.5448,5.1193,D00981_R01AD02,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
840,D00981, Prednisolone sodium phosphate (JP17/USP," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5662,-10.5394,-10.2531,-7.5316,-3.6115,-2.9651,2.9054,2.9764,3.0481,3.4979,5.0896,D00981_S01BA04,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
841,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5553,-10.5313,-10.2468,-7.5361,-3.6156,-2.9665,2.8945,3.0371,3.0565,3.4292,5.0896,D00981_S01CB02,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
842,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5367,-10.5248,-10.245999999999999,-7.5184,-4.2146,-3.5989999999999998,3.0045,3.0542,3.1031,3.4366,5.1034,D00981_S02BA03,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
843,D00981, Prednisolone sodium phosphate (JP17/USP, Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C,440.42400000000004,1.6746,107.971,151.17,35,4,8,JDOZJEUDSLGTLU-VWUMJDOOSA-N,C21H29O8P,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-10.5265,-10.5212,-10.2487,-7.5103,-4.1428,-3.6548,2.9901,3.0002,3.0836,3.5064,5.0918,D00981_S03BA02,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f4cbfd71c,0,0,57,5,0,4,59,62,0.079,2.177,7,,2.22009e-14,-,2.2615,-,2.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D00981
844,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4328,-3.6273,-2.992,-2.9762,-2.3373,-1.921,1.4159,1.4187,1.4365,1.5235,1.5458,D00982_A07EA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
845,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4393,-3.6298,-2.9884,-2.9825,-2.3413,-1.9343,1.3692,1.3999,1.4036,1.4321,1.5389,D00982_C05AA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
846,D00982, Prednisolone tebutate (JAN/USP)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4398,-3.6297,-2.9867,-2.9778,-2.3455,-1.9356,1.4375,1.4592,1.4618,1.5448,1.5648,D00982_D07AA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
847,D00982, Prednisolone tebutate (JAN/USP)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4749,-3.6301,-2.9911,-2.9775,-2.3446,-1.9347,1.3666,1.4002,1.4349,1.484,1.5422,D00982_D07XA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
848,D00982, Prednisolone tebutate (JAN/USP), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4557,-3.6308,-2.9982,-2.9796,-2.329,-1.9180000000000001,1.3618,1.416,1.4354,1.45,1.5438,D00982_H02AB06,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
849,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.3734,-3.6262,-3.0012,-2.9763,-2.3357,-1.9222,1.368,1.3994,1.4242,1.5479,1.5566,D00982_R01AD02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
850,D00982, Prednisolone tebutate (JAN/USP)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4598,-3.6271,-2.9851,-2.9748,-2.3314,-1.9158,1.3957,1.4146,1.4385,1.5377,1.5543,D00982_S01BA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
851,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4399,-3.6268,-2.9827,-2.9826,-2.3252,-1.9197,1.4218,1.4239,1.4380000000000002,1.5445,1.6375,D00982_S01CB02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
852,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.4233,-3.6321,-2.9841,-2.9715,-2.3348,-1.9336,1.4164,1.4246,1.4296,1.548,1.5751,D00982_S02BA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
853,D00982, Prednisolone tebutate (JAN/USP), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC(C)(C)C)O)C)O)C,458.587,3.5447,125.766,100.9,44,2,6,HUMXXHTVHHLNRO-KAJVQRHHSA-N,C27H38O6,O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-4.3858,-3.6277,-3.0017,-2.978,-2.3364,-1.9175,1.4099,1.4265,1.453,1.5303,1.5463,D00982_S03BA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,0000000200000200820a008794992ce48d5cb7d71c,0,0,69,5,0,6,71,74,-10.209,-0.436,7,-1.0,0.472715437,-,3.3325,-,3.3325,https://www.genome.jp/dbget-bin/www_bget?dr:D00982
854,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5671,-4.435,-4.4308,-3.6297,-2.99,-2.9799,1.5904,1.6009,1.6015,1.6262,2.3699,D01239_A07EA01,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
855,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5527,-4.468999999999999,-4.4047,-3.6306,-3.0028,-2.9797,1.5988,1.6013,1.6441,1.7156,2.3692,D01239_C05AA04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
856,D01239, Prednisolone sodium succinate (JP17/USP," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5615,-4.4502,-4.4277,-3.63,-3.0007,-2.9802,1.7084,1.8836,2.0558,2.1463,2.3661,D01239_D07AA03,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
857,D01239, Prednisolone sodium succinate (JP17/USP," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5818,-4.4445,-4.3601,-3.6324,-3.0174,-2.9761,1.5466,1.7035,2.0311,2.0826,2.3841,D01239_D07XA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
858,D01239, Prednisolone sodium succinate (JP17/USP, Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5815,-4.4105,-4.4058,-3.6291,-3.0071,-2.9791,1.5854,1.6057,1.6541,2.0914,2.365,D01239_H02AB06,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
859,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids,R01AD02,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5601,-4.4652,-4.4185,-3.6285,-3.0031,-2.9819999999999998,1.6096,1.7481,1.9980000000000002,2.0808,2.3652,D01239_R01AD02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
860,D01239, Prednisolone sodium succinate (JP17/USP," Corticosteroids, plain",S01BA04,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5723,-4.4599,-4.3877,-3.6301,-3.0117,-2.9783,1.5932,1.619,1.6388,2.1371,2.3759,D01239_S01BA04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
861,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5741,-4.4054,-4.3957,-3.6288,-3.0054,-2.9792,1.5702,1.5766,2.0605,2.0972,2.3628,D01239_S01CB02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
862,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids,S02BA03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5786,-4.4521,-4.4446,-3.6289999999999996,-3.0028,-2.9769,1.5988,1.9911,2.0177,2.1842,2.386,D01239_S02BA03,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
863,D01239, Prednisolone sodium succinate (JP17/USP, Corticosteroids,S03BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5787,-4.4209,-4.4165,-3.6287,-3.0081,-2.9779,1.5989,1.8533,2.0894,2.1502,2.3701,D01239_S03BA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.58,0.701,7,0.0,0.000949847,-,3.1076,-,3.1076,https://www.genome.jp/dbget-bin/www_bget?dr:D01239
864,D01998, Prednisolone farnesylate (JAN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7168,-3.6289999999999996,-3.2397,-2.9756,-2.3356,-1.9205,1.442,1.4433,1.4689,1.5314,1.5568,D01998_A07EA01,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
865,D01998, Prednisolone farnesylate (JAN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7332,-3.6289999999999996,-3.2305,-2.975,-2.3377,-1.919,1.4374,1.4811,1.5013,1.5441,1.5447,D01998_C05AA04,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
866,D01998, Prednisolone farnesylate (JAN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7698,-3.6289999999999996,-3.1614,-2.98,-2.3341,-1.9231,1.4398,1.4751,1.4826,1.5199,1.5285,D01998_D07AA03,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
867,D01998, Prednisolone farnesylate (JAN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.738,-3.6309,-3.2216,-2.949,-2.3303,-1.9176,1.3089,1.382,1.4256,1.4288,1.5244,D01998_D07XA02,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
868,D01998, Prednisolone farnesylate (JAN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7847,-3.6304,-3.2059,-2.9811,-2.33,-1.9267,1.4859,1.4907,1.4947,1.5413,1.5521,D01998_H02AB06,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
869,D01998, Prednisolone farnesylate (JAN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.9088,-3.6324,-3.1484,-2.9757,-2.3206,-1.9211,1.4096,1.4253,1.4553,1.5283,1.5288,D01998_R01AD02,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
870,D01998, Prednisolone farnesylate (JAN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7992,-3.6313,-3.248,-2.9815,-2.3284,-1.9278,1.4414,1.4831,1.4909999999999999,1.5335,1.5383,D01998_S01BA04,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
871,D01998, Prednisolone farnesylate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7704,-3.6299,-3.2329,-2.9812,-2.3355,-1.9224,1.4416,1.4492,1.4892,1.5461,1.5511,D01998_S01CB02,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
872,D01998, Prednisolone farnesylate (JAN), Corticosteroids,S02BA03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.8095,-3.6305,-3.2028,-2.9748,-2.3295,-1.9237,1.4659,1.4932,1.5446,1.5475,1.5802,D01998_S02BA03,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
873,D01998, Prednisolone farnesylate (JAN), Corticosteroids,S03BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)O)C)O,578.779,6.5277,167.86700000000002,100.9,56,2,6,SBQAKZYUNWNIRL-BIAPGHSTSA-N,C36H50O6,CC(=CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCC=C(CCC=C(C)C)C,"InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1",-4.7061,-3.6309,-3.2432,-2.9739,-2.3265,-1.9209,1.4419,1.4814,1.5403,1.5526,1.8157,D01998_S03BA02,10000002000002240a00000100020000000000800040400000040000001420001408000000800001800a000021000000012002001020412300000080000082000810080000040000000080002880020480d040400000004000001001000000010204000a80000002000800004000290000030900000100000000008102000500,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,87,8,0,11,92,95,-9.504,-0.401,7,1.0,0.957741499,+,4.4855,-,4.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01998
874,D02156, Prednisolone hemisuccinate (USP), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5588,-4.4589,-4.4237,-3.6292,-2.9984,-2.9777,1.6651,1.7268,2.0540000000000003,2.0692,2.3696,D02156_A07EA01,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
875,D02156, Prednisolone hemisuccinate (USP), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5911,-4.4697,-4.4088,-3.6296,-2.9983,-2.9687,1.5528,1.5657,2.0543,2.0569,2.3865,D02156_C05AA04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
876,D02156, Prednisolone hemisuccinate (USP)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5727,-4.4239999999999995,-4.4134,-3.6289999999999996,-2.9994,-2.977,1.5404,1.5857,1.6005,1.6372,2.3681,D02156_D07AA03,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
877,D02156, Prednisolone hemisuccinate (USP)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5622,-4.4415,-4.4199,-3.6292,-2.9941,-2.9781,1.5381,1.585,1.5912,1.635,2.3681,D02156_D07XA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
878,D02156, Prednisolone hemisuccinate (USP), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5569999999999995,-4.4510000000000005,-4.4509,-3.6302,-2.9836,-2.9676,1.6448,1.6628,1.7683,2.0735,2.3632,D02156_H02AB06,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
879,D02156, Prednisolone hemisuccinate (USP), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5897,-4.4268,-4.3976,-3.63,-3.0019,-2.9791,1.569,1.5868,1.7585,2.0877,2.3655,D02156_R01AD02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
880,D02156, Prednisolone hemisuccinate (USP)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5949,-4.4545,-4.3939,-3.6292,-2.9992,-2.9760000000000004,1.6966,1.7615,2.0653,2.0829,2.3691,D02156_S01BA04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
881,D02156, Prednisolone hemisuccinate (USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5673,-4.4342,-4.4294,-3.6293,-2.988,-2.9784,1.591,1.5986,1.6255,1.6594,2.3701,D02156_S01CB02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
882,D02156, Prednisolone hemisuccinate (USP), Corticosteroids,S02BA03,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5588,-4.4465,-4.4429,-3.6291,-2.9906,-2.9757,1.5859,1.6084,1.7747,2.0748,2.3652,D02156_S02BA03,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
883,D02156, Prednisolone hemisuccinate (USP), Corticosteroids,S03BA02,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCC(=O)O)O)C)O,460.517,1.9733,118.18299999999999,138.2,39,3,8,APGDTXUMTIZLCJ-CGVGKPPMSA-N,C25H32O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",-4.5569999999999995,-4.4409,-4.4253,-3.6291,-2.9966,-2.9774,1.538,1.5885,1.6034,1.6237,2.3645,D02156_S03BA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,62,6,0,7,65,68,-4.712,0.745,7,,0.00117242,-,3.1315,-,3.1315,https://www.genome.jp/dbget-bin/www_bget?dr:D02156
884,D03301, Prednisolone valerate acetate (JAN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.426,-4.4241,-3.6254,-3.015,-3.0001,-2.9774,1.395,1.4099,1.4409999999999998,1.5368,1.5397,D03301_A07EA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
885,D03301, Prednisolone valerate acetate (JAN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4737,-4.4224,-3.6275,-2.9961,-2.991,-2.9743,1.4046,1.4227,1.4353,1.4408,1.5368,D03301_C05AA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
886,D03301, Prednisolone valerate acetate (JAN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4471,-4.4426,-3.628,-3.0087,-3.002,-2.9716,1.4076,1.4359,1.4609999999999999,1.4984,1.5376,D03301_D07AA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
887,D03301, Prednisolone valerate acetate (JAN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.5213,-4.4617,-3.6266,-2.9916,-2.9619999999999997,-2.9453,1.3577,1.4165,1.4525,1.5081,1.5578,D03301_D07XA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
888,D03301, Prednisolone valerate acetate (JAN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4464,-4.4169,-3.627,-2.9978,-2.985,-2.972,1.4213,1.4508,1.4597,1.504,1.5325,D03301_H02AB06,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
889,D03301, Prednisolone valerate acetate (JAN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4306,-4.3323,-3.6262,-3.0455,-2.9833,-2.9698,1.4001,1.405,1.4121,1.4999,1.5366,D03301_R01AD02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
890,D03301, Prednisolone valerate acetate (JAN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4972,-4.4059,-3.6279,-2.9785,-2.9785,-2.9675,1.3978,1.4389,1.5105,1.5330000000000001,1.5387,D03301_S01BA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
891,D03301, Prednisolone valerate acetate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.6775,-4.444,-3.6283,-3.0096,-2.9711,-2.9538,1.3557,1.3997,1.4049,1.5243,1.64,D03301_S01CB02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
892,D03301, Prednisolone valerate acetate (JAN), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.4601,-4.3934,-3.6269,-2.9934,-2.9882,-2.9652,1.4191,1.4375,1.4844,1.5317,1.536,D03301_S02BA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
893,D03301, Prednisolone valerate acetate (JAN), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)OC(=O)CCCC)C)O)C,486.597,3.8695,130.95600000000002,106.97,45,1,7,DGYSDXLCLKPUBR-SLPNHVECSA-N,C28H38O7,CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)C,"InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1",-4.5835,-4.4439,-3.6281,-3.0019,-2.9861,-2.9722,1.382,1.3869999999999998,1.3992,1.4509,1.5365,D03301_S03BA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,70,6,0,9,73,76,-10.216000000000001,-0.41600000000000004,7,0.0,0.584235787,-,3.3614,-,3.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D03301
894,D08412, Prednisolone pivalate, Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.3827,-3.6276,-3.0034,-2.9788,-2.3347,-1.9169,1.42,1.4368,1.4380000000000002,1.5413,1.5671,D08412_A07EA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
895,D08412, Prednisolone pivalate, Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.3887,-3.6301,-2.9899,-2.9795,-2.3452,-1.935,1.4083,1.4255,1.4345,1.541,1.5599,D08412_C05AA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
896,D08412, Prednisolone pivalate," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4018,-3.6299,-2.9989999999999997,-2.9818,-2.3396,-1.9343,1.3769,1.4058,1.4372,1.4378,1.545,D08412_D07AA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
897,D08412, Prednisolone pivalate," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4424,-3.6299,-2.9829,-2.9797,-2.3416,-1.9332,1.3784,1.3825,1.4096,1.4406,1.5428,D08412_D07XA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
898,D08412, Prednisolone pivalate, Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4436,-3.6289999999999996,-2.9862,-2.9714,-2.3406,-1.9359,1.3685,1.3801,1.4051,1.4359,1.545,D08412_H02AB06,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
899,D08412, Prednisolone pivalate, Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4347,-3.6267,-2.9960000000000004,-2.9797,-2.3351,-1.9508,1.4163,1.4168,1.4443,1.5485,1.55,D08412_R01AD02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
900,D08412, Prednisolone pivalate," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4167,-3.6298,-2.9943,-2.9792,-2.3443,-1.9343,1.4055,1.4107,1.4396,1.5347,1.5454,D08412_S01BA04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
901,D08412, Prednisolone pivalate, Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.4394,-3.645,-2.9776,-2.9731,-2.3508,-1.9311,1.3235,1.3545,1.3842,1.4283,1.5434,D08412_S01CB02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
902,D08412, Prednisolone pivalate, Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.3835,-3.6294,-2.995,-2.9794,-2.3457,-1.9341,1.3855,1.4029,1.435,1.544,1.5648,D08412_S02BA03,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
903,D08412, Prednisolone pivalate, Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)O)C,444.56,3.1546,120.959,100.9,42,2,6,PHEOVVDXTQVHAZ-XDANTLIUSA-N,C26H36O6,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.503,-3.6276,-2.9962,-2.975,-2.3401,-1.9358,1.3365,1.3929,1.3982,1.432,1.5574,D08412_S03BA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437804,0000000200000200820a008794992ce48d5cb7d71c,0,0,66,5,0,5,68,71,-10.179,-0.409,7,1.0,0.359970599,+,3.1432,-,3.1432,https://www.genome.jp/dbget-bin/www_bget?dr:D08412
904,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6376,-9.6288,-9.1216,-4.2576,-3.6301,-2.9805,1.5749,2.4025,2.5943,2.6099,2.6188,D08413_A07EA01,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
905,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.7072,-9.6345,-9.1029,-4.2684,-3.6299,-2.9812,1.567,2.4055,2.5934,2.6059,2.6301,D08413_C05AA04,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
906,D08413, Prednisolone sodium metazoate (USAN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6846,-9.6437,-9.1297,-4.2471,-3.6303,-2.9767,1.5621,2.4067,2.582,2.5984,2.6386,D08413_D07AA03,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
907,D08413, Prednisolone sodium metazoate (USAN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.7102,-9.6157,-9.1116,-4.275,-3.6276,-2.9723,1.9137,2.4036,2.5824,2.6153,2.6326,D08413_D07XA02,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
908,D08413, Prednisolone sodium metazoate (USAN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6807,-9.6412,-9.1146,-4.2679,-3.6266,-2.9808,1.5546,2.4071,2.5868,2.5976,2.6341,D08413_H02AB06,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
909,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6984,-9.6234,-9.1137,-4.2944,-3.6286,-2.9797,1.5447,2.4066,2.5955,2.6172,2.6224,D08413_R01AD02,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
910,D08413, Prednisolone sodium metazoate (USAN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6728,-9.6387,-9.1194,-4.2669,-3.6261,-2.9811,1.5681,2.4004,2.5837,2.5936,2.6368,D08413_S01BA04,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
911,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6587,-9.6331,-9.12,-4.275,-3.6281,-2.9803,1.6519,2.4019,2.5879,2.6036,2.6326,D08413_S01CB02,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
912,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6822,-9.6273,-9.104,-4.2842,-3.63,-2.9796,1.5684,2.4,2.5837,2.5943,2.6236,D08413_S02BA03,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
913,D08413, Prednisolone sodium metazoate (USAN), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)O)O)C)O)C,544.613,3.7498,136.558,163.65,40,3,9,WVKSUFYQOHQCMM-YGZHYJPASA-N,C28H32O9S,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C)C,"InChI=1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1",-9.6906,-9.6343,-9.1128,-4.263999999999999,-3.6345,-2.9813,1.5603,2.4058,2.5889,2.6135,2.6324,D08413_S03BA02,20000142000002e60a00020100020000000000c00040480000200080000420001c08400800800001a00a020821000080012002000020410300000082000082000810080280062080020081002880020400d00060002000004008180100090003020600028000000000400100720128000003d900088100000208808102000100,1400006c30b005,1f6800000000010000009000000000000001000000000000000022000000000000004240437804,00000002c080469e96098187b49b2cec8f4cbfd71e,0,6,61,7,0,6,70,74,-7.312,0.857,7,1.0,0.008549757,-,3.7352,-,3.7352,https://www.genome.jp/dbget-bin/www_bget?dr:D08413
914,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5553,-4.4456,-4.3662,-3.6307,-3.0260000000000002,-2.9818,1.5402,1.601,1.6127,2.0972,2.3753,D08414_A07EA01,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
915,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.542,-4.4837,-4.4348,-3.6282,-2.9991,-2.9767,1.4757,1.5505,1.556,2.0133,2.3947,D08414_C05AA04,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
916,D08414, Prednisolone 21-(sodium tetrahydrophtha," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5858,-4.4431,-4.4206,-3.6269,-2.9915,-2.9839,1.5714,1.9727,2.0492,2.1611,2.3845,D08414_D07AA03,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
917,D08414, Prednisolone 21-(sodium tetrahydrophtha," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5755,-4.4224,-4.4062,-3.6294,-2.9914,-2.9796,1.5659999999999998,1.5959999999999999,2.0167,2.0176,2.3918,D08414_D07XA02,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
918,D08414, Prednisolone 21-(sodium tetrahydrophtha, Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5816,-4.4235,-4.4069,-3.6287,-3.0001,-2.9762,1.5459,1.6152,1.8935,2.1088,2.3981,D08414_H02AB06,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
919,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.525,-4.4699,-4.438,-3.6411,-2.992,-2.9826,1.5656,1.7265,1.9366,2.0844,2.3701,D08414_R01AD02,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
920,D08414, Prednisolone 21-(sodium tetrahydrophtha," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5531,-4.4431,-4.4258,-3.6281,-2.9951,-2.9794,1.5425,1.5626,2.068,2.0951,2.3715,D08414_S01BA04,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
921,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.6371,-4.4328,-4.3674,-3.6256,-2.9853,-2.9808,1.5419999999999998,1.551,1.7024,2.0738,2.3986,D08414_S01CB02,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
922,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.5437,-4.4593,-4.4352,-3.6249,-2.998,-2.9829,1.7379,1.77,1.8298,2.0531,2.3591,D08414_S02BA03,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
923,D08414, Prednisolone 21-(sodium tetrahydrophtha, Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)[C@H]1[C@H](CC=CC1)C(=O)O)O)C)O)C,512.591,2.7755,134.82299999999998,138.2,43,3,8,VNGWBSXDGQZSFL-BZVQUSEBSA-N,C29H36O8,O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O)C)C,"InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20-,21-,22-,24+,27-,28-,29-/m0/s1",-4.586,-4.4421,-4.4063,-3.6302,-3.0044,-2.9789,1.7967,1.9593,2.0491,2.1404,2.3835,D08414_S03BA02,00000002000002240a00008102020000000000800040400000000000000420001408000000800001800a000021000000012002020020411320010080000082000810080800040000000080002880020400d000400000000008801001000000010204000280000000000000004000280000030980000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d4cb7d71c,0,0,70,7,0,6,73,77,-4.502,0.769,9,0.0,0.003760201,-,3.695,-,3.695,https://www.genome.jp/dbget-bin/www_bget?dr:D08414
924,D08415, Prednisolone steaglate (BAN), Corticosteroids acting locally,A07EA01,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4428,-4.3855,-3.6349,-2.9810000000000003,-2.9809,-2.9176,1.5345,1.5385,1.5575,1.8038,1.8719,D08415_A07EA01,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
925,D08415, Prednisolone steaglate (BAN), Corticosteroids,C05AA04,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4921,-4.4184,-3.6276,-2.9895,-2.9841,-2.9754,1.4867,1.5328,1.556,1.6309,2.1209,D08415_C05AA04,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
926,D08415, Prednisolone steaglate (BAN)," Corticosteroids, weak (group I)",D07AA03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.5396,-4.4425,-3.6257,-2.9958,-2.9769,-2.9584,1.545,1.5490000000000002,1.6126,1.6566,2.0079,D08415_D07AA03,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
927,D08415, Prednisolone steaglate (BAN)," Corticosteroids, weak, other combinations",D07XA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4387,-4.3707,-3.6262,-3.0732,-2.9936,-2.9719,1.5423,1.5754,1.5791,2.0399,2.0753,D08415_D07XA02,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
928,D08415, Prednisolone steaglate (BAN), Glucocorticoids,H02AB06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.6405,-4.4275,-3.6287,-3.1022,-2.9783,-2.9679,1.5489,1.5761,1.6459,1.7819999999999998,1.9796,D08415_H02AB06,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
929,D08415, Prednisolone steaglate (BAN), Corticosteroids,R01AD02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.6567,-4.3933,-3.6214,-2.9907,-2.9538,-2.9079,1.5551,1.5737,1.6551,1.7249,1.9364,D08415_R01AD02,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
930,D08415, Prednisolone steaglate (BAN)," Corticosteroids, plain",S01BA04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4702,-4.3464,-3.6277,-2.9916,-2.9827,-2.9730000000000003,1.5205,1.5635,1.5656,1.5982,1.9904,D08415_S01BA04,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
931,D08415, Prednisolone steaglate (BAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4614,-4.4453,-3.7026,-2.9939,-2.9711,-2.9682,1.5314,1.5324,1.734,1.7380000000000002,1.7719999999999998,D08415_S01CB02,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
932,D08415, Prednisolone steaglate (BAN), Corticosteroids,S02BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4287,-4.4225,-3.6314,-3.0165,-3.0083,-2.9598,1.558,1.5693,1.8655,1.8961,2.1713,D08415_S02BA03,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
933,D08415, Prednisolone steaglate (BAN), Corticosteroids,S03BA02,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)O)C)O)C,684.942,7.9132,194.609,127.2,72,2,8,RBJROVWIRLFZFC-PNLFXGMVSA-N,C41H64O8,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1",-4.4525,-4.0942,-3.6228,-3.0917,-2.9804,-2.8795,1.4479,1.5302,1.5365,1.6286,1.9916,D08415_S03BA02,00000002000002240a00000100020000200000800040400000000000000420001408000800800005800a000021000000012002000020410300000080000082000890082800040000000080002880020400d000400000000000001001002000014204000280000000000000004000280000030900080500000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ee48d5eb7d71c,0,0,110,6,0,23,113,116,-10.189,-0.442,7,-1.0,0.974097133,-,7.353,-,7.353,https://www.genome.jp/dbget-bin/www_bget?dr:D08415
934,D00473, Prednisone (USP), Corticosteroids acting locally,A07EA03,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)C,358.42800000000005,1.7658,96.0986,91.67,31,2,5,XOFYZVNMUHMLCC-ZPOLXVRWSA-N,C21H26O5,OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",-3.6109,-2.9962,-2.9672,-2.3628,-2.3314,-1.8243,1.1033,1.4112,1.4199,1.4375,1.7527,D00473_A07EA03,0000000000000224000000810000000000000080004040000000000000002000100800000080000180020000010000000100020200204103000000000000000008000800000400000000800008800204005000400000000000001200000000010204000280000000000000000000080000000800000000000000000102000500,1400005c00a001,1f5800000000010000000000000000000001000000000000000000000000000000004040437805,00000002000012008208028794992cc08d4cb7d71c,0,0,50,5,0,2,52,55,-10.27,-0.5,6,1.0,0.14906287199999999,-,2.2048,-,2.2048,https://www.genome.jp/dbget-bin/www_bget?dr:D00473
935,D00473, Prednisone (USP), Glucocorticoids,H02AB07,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)C,358.42800000000005,1.7658,96.0986,91.67,31,2,5,XOFYZVNMUHMLCC-ZPOLXVRWSA-N,C21H26O5,OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",-3.6108,-2.983,-2.9779,-2.3515,-2.3506,-1.7985,1.4001,1.4076,1.4392,1.5704,1.5792,D00473_H02AB07,0000000000000224000000810000000000000080004040000000000000002000100800000080000180020000010000000100020200204103000000000000000008000800000400000000800008800204005000400000000000001200000000010204000280000000000000000000080000000800000000000000000102000500,1400005c00a001,1f5800000000010000000000000000000001000000000000000000000000000000004040437805,00000002000012008208028794992cc08d4cb7d71c,0,0,50,5,0,2,52,55,-10.27,-0.5,6,1.0,0.14906287199999999,-,2.2048,-,2.2048,https://www.genome.jp/dbget-bin/www_bget?dr:D00473
936,D08416, Prednisone acetate, Corticosteroids acting locally,A07EA03,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)C,400.465,2.3366,105.836,97.74,34,1,6,MOVRKLZUVNCBIP-RFZYENFJSA-N,C23H28O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",-4.4445,-3.6255,-2.9989999999999997,-2.9909,-2.9825,-2.3304,1.4151,1.4313,1.436,1.4819,1.5414,D08416_A07EA03,00000002000002240a00008100020000000000800040400000000000000420001408000000800001800a000021000000010002020020410300000080000082000810080000040000000080000880020400d000400000000000001201000000010204000280000000000000004000080000030900000100000000000102000500,1400004c30a005,1f4800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce4895cb7d71c,0,0,54,6,0,4,57,60,-10.259,-0.495,6,1.0,0.221694201,-,2.903,-,2.903,https://www.genome.jp/dbget-bin/www_bget?dr:D08416
937,D08416, Prednisone acetate, Glucocorticoids,H02AB07,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)C,400.465,2.3366,105.836,97.74,34,1,6,MOVRKLZUVNCBIP-RFZYENFJSA-N,C23H28O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",-4.4272,-3.6260000000000003,-2.9957,-2.9864,-2.9789,-2.346,1.4029,1.415,1.4367,1.5383,1.5704,D08416_H02AB07,00000002000002240a00008100020000000000800040400000000000000420001408000000800001800a000021000000010002020020410300000080000082000810080000040000000080000880020400d000400000000000001201000000010204000280000000000000004000080000030900000100000000000102000500,1400004c30a005,1f4800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce4895cb7d71c,0,0,54,6,0,4,57,60,-10.259,-0.495,6,1.0,0.221694201,-,2.903,-,2.903,https://www.genome.jp/dbget-bin/www_bget?dr:D08416
938,D00244, Betamethasone (JP17/USP/INN), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6378,-2.9609,-2.3505,-2.2983,-1.9136,-1.8502,1.3679,1.4178,1.4342,1.4466,2.0107,D00244_A07EA04,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
939,D00244, Betamethasone (JP17/USP/INN), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6343,-2.9608,-2.3509,-2.2928,-1.9113,-1.8507,1.3707,1.4199,1.4393,1.4475,2.0058,D00244_C05AA05,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
940,D00244, Betamethasone (JP17/USP/INN)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6441,-2.9787,-2.3523,-2.3445,-1.9233,-1.8033,1.1926,1.4069,1.4385,1.5697,1.6623,D00244_D07AC01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
941,D00244, Betamethasone (JP17/USP/INN)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6211,-2.9622,-2.3554,-2.3071,-1.9153,-1.8665,1.3622,1.3917,1.4173,1.4457,1.9625,D00244_D07XC01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
942,D00244, Betamethasone (JP17/USP/INN), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6417,-2.9854,-2.3591,-2.3247,-1.9233,-1.8349,1.1808,1.4114,1.4324,1.5859,1.7484,D00244_H02AB01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
943,D00244, Betamethasone (JP17/USP/INN), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6284,-2.9593,-2.3502,-2.2929,-1.9137,-1.8529,1.3674,1.4166,1.4185,1.4456,2.0398,D00244_R01AD06,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
944,D00244, Betamethasone (JP17/USP/INN), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6338,-2.9810000000000003,-2.3535,-2.3257,-1.9129,-1.8187,1.4117,1.4447,1.5654,1.5958,1.7885,D00244_R03BA04,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
945,D00244, Betamethasone (JP17/USP/INN)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6144,-2.9782,-2.3613,-2.3207,-2.0371,-1.9111,1.4053,1.4315,1.537,1.5571,1.6044,D00244_S01BA06,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
946,D00244, Betamethasone (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6501,-2.9625,-2.3592,-2.3129,-1.9154,-1.8434,1.3527,1.3869,1.4104,1.4385,1.8845,D00244_S01CB04,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
947,D00244, Betamethasone (JP17/USP/INN), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6162,-2.9634,-2.3517,-2.32,-1.9145,-1.8375,1.3498,1.3908,1.4049,1.4357,2.0295,D00244_S02BA07,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
948,D00244, Betamethasone (JP17/USP/INN), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.8957,101.956,94.83,34,3,5,UREBDLICKHMUKA-DVTGEIKXSA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.647,-2.9799,-2.3598,-2.3431,-1.9238,-1.8017,1.1928,1.4024,1.4366,1.5658,1.7505,D00244_S03BA03,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d2cc0ad5cb7d71c,1,0,56,4,0,2,57,60,-10.286,-0.494,8,0.0,0.17440947899999998,-,2.2983,-,2.2983,https://www.genome.jp/dbget-bin/www_bget?dr:D00244
949,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5865,-10.552,-10.2543,-7.4976,-5.2038,-3.6907,3.0092,3.0439,3.3815,3.5134,5.1547,D00972_A07EA04,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
950,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5541,-10.53,-10.2145,-7.5247,-3.8072,-3.6767,2.9558,2.9848,3.0406,3.4792,5.0941,D00972_C05AA05,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
951,D00972, Betamethasone sodium phosphate (JP17/US," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5458,-10.5296,-10.2489,-7.5285,-3.6072,-2.9812,2.8944,2.983,3.0521,3.5118,5.1,D00972_D07AC01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
952,D00972, Betamethasone sodium phosphate (JP17/US," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5565,-10.536,-10.2561,-7.5224,-3.826,-3.5898,2.9836,3.0461,3.1545,3.532,5.1155,D00972_D07XC01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
953,D00972, Betamethasone sodium phosphate (JP17/US, Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5466,-10.5333,-10.2546,-7.5116,-3.6703,-3.556,2.8694,3.0052,3.028,3.4599,5.0797,D00972_H02AB01,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
954,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids,R01AD06,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5404,-10.5386,-10.257,-7.524,-3.6201,-3.1086,2.8906,3.0086,3.0179,3.4569,5.0756,D00972_R01AD06,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
955,D00972, Betamethasone sodium phosphate (JP17/US, Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5673,-10.5121,-10.2609,-7.5117,-3.8597,-3.6112,2.9833,3.0029,3.0075,3.5156,5.0502,D00972_R03BA04,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
956,D00972, Betamethasone sodium phosphate (JP17/US," Corticosteroids, plain",S01BA06,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5401,-10.5346,-10.2365,-7.539,-3.5788,-2.9774,2.8414,3.051,3.0562,3.4246,5.1012,D00972_S01BA06,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
957,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5554,-10.5252,-10.2418,-7.5059,-4.1842,-3.678,2.9966,3.0663,3.0698,3.4657,5.1022,D00972_S01CB04,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
958,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids,S02BA07,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5505,-10.532,-10.2492,-7.5267,-3.7311,-3.6082,2.9768,2.9807,3.0619,3.4589,5.0946,D00972_S02BA07,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
959,D00972, Betamethasone sodium phosphate (JP17/US, Corticosteroids,S03BA03,SENSORY ORGANS,[C@H]12[C@H]3[C@@]([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C[C@@]1([C@]([C@H](C2)C)(C(=O)COP(=O)(O)O)O)C)O)F,472.441,2.0127,112.867,151.17,36,4,8,VQODGRNSFPNSQE-DVTGEIKXSA-N,C22H30FO8P,O=C1C=CC2(C(=C1)CCC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COP(=O)(O)O)C)C)C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-10.5569,-10.5476,-10.2665,-7.5188,-3.6536,-3.5498,2.8893,3.0099,3.0209,3.4522,5.0474,D00972_S03BA03,00820000000042251402000300000000000001902040400202000000000020001008520000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004142800001a0800000110000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000010200000004040437804,000000120086020092084087b49f2ce8af5cbfd71c,1,0,60,5,0,4,62,65,0.094,2.207,8,,3.1547700000000006e-14,-,2.7518,-,2.7518,https://www.genome.jp/dbget-bin/www_bget?dr:D00972
960,D01357, Betamethasone valerate (JP17/USP), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.3961,-3.6355,-3.0104,-2.9659,-2.3699,-1.9138,1.3746,1.3951,1.4233,1.5334,1.6049,D01357_A07EA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
961,D01357, Betamethasone valerate (JP17/USP), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.5253,-3.6328,-2.9766,-2.9624,-2.3603,-2.0995,1.3913,1.4537,1.5384,1.6968,1.8768,D01357_C05AA05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
962,D01357, Betamethasone valerate (JP17/USP)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.5151,-3.6289999999999996,-2.9692,-2.9354,-2.3459,-1.9165,1.3953,1.442,1.4619,1.5187,1.5236,D01357_D07AC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
963,D01357, Betamethasone valerate (JP17/USP)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4584,-3.6267,-2.9874,-2.9662,-2.3687,-2.1643,1.4101,1.4223,1.4606,1.5228,1.5448,D01357_D07XC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
964,D01357, Betamethasone valerate (JP17/USP), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4115,-3.6303,-2.9824,-2.9662,-2.3435,-1.9112,1.3628,1.3853,1.4089,1.4362,1.5363,D01357_H02AB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
965,D01357, Betamethasone valerate (JP17/USP), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4596,-3.6313,-3.0575,-2.9711,-2.3602,-1.9131,1.3366,1.3689,1.3989,1.4323,1.5533,D01357_R01AD06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
966,D01357, Betamethasone valerate (JP17/USP), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.478,-3.6299,-3.0069999999999997,-2.9751,-2.3428,-1.9193,1.3539,1.3574,1.4107,1.4407,1.5448,D01357_R03BA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
967,D01357, Betamethasone valerate (JP17/USP)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.3908,-3.6341,-3.0694,-2.9512,-2.3538,-1.9295,1.4392,1.5085,1.5586,1.6627,1.9415,D01357_S01BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
968,D01357, Betamethasone valerate (JP17/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.5033,-3.6276,-2.9897,-2.9765,-2.3615,-2.3091,1.416,1.4316,1.5432,1.6292,1.8684,D01357_S01CB04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
969,D01357, Betamethasone valerate (JP17/USP), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4131,-3.6288,-3.0037,-2.9767,-2.3526,-1.9193,1.4002,1.4104,1.4325,1.5349,1.5407,D01357_S02BA07,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
970,D01357, Betamethasone valerate (JP17/USP), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)CCCC)C)C)O)F)C,476.577,3.6368,126.115,100.9,43,2,6,SNHRLVCMMWUAJD-SUYDQAKGSA-N,C27H37FO6,CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO,"InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4633,-3.6291,-2.9739999999999998,-2.9593,-2.3609999999999998,-1.9267,1.4385,1.4446,1.4577,1.5225,1.8430000000000002,D01357_S03BA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400003c30a005,1f3900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084285949d2ee4ad5cb7d71c,1,0,69,5,0,7,71,74,-10.329,-0.532,8,,0.601145446,-,3.0168,-,3.0168,https://www.genome.jp/dbget-bin/www_bget?dr:D01357
971,D01402, Betamethasone acetate (JAN/USP), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4502,-3.6288,-2.9976,-2.9772,-2.3271,-1.9125,1.4064,1.4374,1.5453,1.5528,1.6194,D01402_A07EA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
972,D01402, Betamethasone acetate (JAN/USP), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.3749,-3.6316,-3.0157,-2.9774,-2.3535,-1.9149,1.3642,1.3823,1.4293,1.4376,1.5330000000000001,D01402_C05AA05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
973,D01402, Betamethasone acetate (JAN/USP)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.444,-3.6292,-2.9894,-2.9739,-2.3271,-1.9235,1.2763,1.3737,1.4022,1.4302,1.5271,D01402_D07AC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
974,D01402, Betamethasone acetate (JAN/USP)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.3864,-3.6291,-3.0076,-2.9817,-2.3397,-1.9129,1.3817,1.4083,1.436,1.5338,1.5618,D01402_D07XC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
975,D01402, Betamethasone acetate (JAN/USP), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4762,-3.6284,-2.9781,-2.9774,-2.3388,-1.9263,1.3541,1.3797,1.3999,1.4277,1.5387,D01402_H02AB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
976,D01402, Betamethasone acetate (JAN/USP), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4562,-3.635,-2.9936,-2.9766,-2.3512,-1.9158,1.3694,1.3855,1.3885,1.4281,1.545,D01402_R01AD06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
977,D01402, Betamethasone acetate (JAN/USP), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.3765,-3.6327,-3.0093,-2.9804,-2.3246,-1.9165,1.4106,1.4312,1.4324,1.5341,1.5358,D01402_R03BA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
978,D01402, Betamethasone acetate (JAN/USP)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.3877,-3.6363,-3.0012,-2.978,-2.3429,-1.9142,1.4065,1.4326,1.4553,1.5351,1.5513,D01402_S01BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
979,D01402, Betamethasone acetate (JAN/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.363,-3.6294,-3.0003,-2.9789,-2.3387,-1.9215,1.3862,1.4085,1.4315,1.524,1.528,D01402_S01CB04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
980,D01402, Betamethasone acetate (JAN/USP), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4269,-3.6511,-3.0039,-2.9805,-2.3381,-1.9157,1.4095,1.4327,1.4471,1.5404,1.5628,D01402_S02BA07,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
981,D01402, Betamethasone acetate (JAN/USP), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)C)O)C)C)O)F)C,434.49800000000005,2.4665,111.694,100.9,37,2,6,AKUJBENLRBOFTD-QZIXMDIESA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.3983,-3.6316,-3.005,-2.9641,-2.3234,-1.9144,1.4280000000000002,1.4457,1.4580000000000002,1.5297,1.5492,D01402_S03BA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,5,0,4,62,65,-10.173,-0.39399999999999996,8,0.0,0.25822559,-,2.8214,-,2.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01402
982,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.5986,-4.4238,-3.6276,-3.0001,-2.9734,-2.9674,1.3513,1.42,1.528,1.5416,1.8235,D01637_A07EA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
983,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4666,-4.3934,-3.6295,-3.003,-2.9882,-2.9726,1.3624,1.3745,1.3841,1.415,1.5319999999999998,D01637_C05AA05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
984,D01637, Betamethasone dipropionate (JP17/USP)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4428,-4.4197,-3.6277,-3.0111,-2.9792,-2.968,1.3518,1.3785,1.3865,1.4318,1.5346,D01637_D07AC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
985,D01637, Betamethasone dipropionate (JP17/USP)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4732,-4.4485,-3.6337,-3.0231,-3.0131,-2.9699,1.3882,1.4281,1.4436,1.4462,1.5377,D01637_D07XC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
986,D01637, Betamethasone dipropionate (JP17/USP), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.511,-4.4193,-3.6286,-2.9930000000000003,-2.9873,-2.967,1.3906,1.3907,1.4382,1.5199,1.5308,D01637_H02AB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
987,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4341,-4.3343,-3.6285,-2.9991,-2.9841,-2.9713,1.2771,1.3577,1.3725,1.4258,1.5251,D01637_R01AD06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
988,D01637, Betamethasone dipropionate (JP17/USP), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4764,-4.428,-3.6278,-2.9997,-2.9835,-2.9717,1.3507,1.3783,1.3868,1.4326,1.54,D01637_R03BA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
989,D01637, Betamethasone dipropionate (JP17/USP)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.574,-4.4426,-3.6337,-2.9975,-2.9867,-2.9631,1.3916,1.395,1.4185,1.5389,1.5526,D01637_S01BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
990,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4464,-4.4155,-3.6288,-3.0196,-2.9848,-2.9717,1.3439,1.3464,1.3827,1.4335,1.5349,D01637_S01CB04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
991,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4967,-4.4317,-3.6276,-2.9914,-2.9767,-2.972,1.4387,1.4719,1.473,1.5145,1.5349,D01637_S02BA07,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
992,D01637, Betamethasone dipropionate (JP17/USP), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C,504.588,3.8175,131.045,106.97,44,1,7,CIWBQSYVNNPZIQ-XYWKZLDCSA-N,C28H37FO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4566,-4.4092,-3.6329,-2.9949,-2.972,-2.9358,1.3586,1.386,1.4056,1.4178,1.5228,D01637_S03BA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,70,6,0,8,73,76,-10.382,-0.6509999999999999,8,0.0,0.574394703,-,3.6866,-,3.6866,https://www.genome.jp/dbget-bin/www_bget?dr:D01637
993,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.428,-4.4179,-3.6162,-3.0161,-2.998,-2.9706,1.3851,1.4162,1.4232,1.526,1.5393,D02032_A07EA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
994,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4899,-4.4458,-3.6289999999999996,-3.0023,-2.9986,-2.9655,1.3865,1.4094,1.4361,1.4415,1.5368,D02032_C05AA05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
995,D02032, Betamethasone butyrate propionate (JAN)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.5663,-4.4296,-3.6281,-2.9711,-2.9683,-2.9383,1.3894,1.403,1.4137,1.5352,1.5425,D02032_D07AC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
996,D02032, Betamethasone butyrate propionate (JAN)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4171,-4.337,-3.6295,-3.0119,-2.9836,-2.9653,1.3635,1.3835,1.4184,1.4345,1.5264,D02032_D07XC01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
997,D02032, Betamethasone butyrate propionate (JAN), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4794,-4.4279,-3.6286,-3.0191,-2.9862,-2.9712,1.3606,1.3763,1.3873,1.4486,1.5317,D02032_H02AB01,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
998,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4372,-4.4357,-3.6634,-3.0138,-3.0106,-2.9459,1.3016,1.3346,1.3663,1.5409,1.5747,D02032_R01AD06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
999,D02032, Betamethasone butyrate propionate (JAN), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4225,-4.4172,-3.6242,-2.9955,-2.9706,-2.9679,1.4391,1.4563,1.5322,1.5328,1.5365,D02032_R03BA04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
1000,D02032, Betamethasone butyrate propionate (JAN)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4663,-4.4254,-3.6282,-2.9925,-2.9892,-2.9760000000000004,1.3605,1.3725,1.3862,1.4288,1.535,D02032_S01BA06,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
1001,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.4552,-4.441,-3.5949,-3.0665,-2.9995,-2.9843,1.3359,1.4137,1.5224,1.5409,1.6019,D02032_S01CB04,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
1002,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.5586,-4.395,-3.6304,-3.0146,-2.9891,-2.9686,1.4003,1.4197,1.4329,1.5342,1.5527,D02032_S02BA07,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
1003,D02032, Betamethasone butyrate propionate (JAN), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CCC)C)C)O)F)C,518.614,4.2076,135.852,106.97,46,1,7,VXOWJCTXWVWLLC-REGDIAEZSA-N,C29H39FO7,CCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)COC(=O)CC,"InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1",-4.5549,-4.5303,-3.6267,-2.9635,-2.9539999999999997,-2.9375,1.3598,1.3729,1.4021,1.518,1.5279,D02032_S03BA03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,1,0,73,6,0,9,76,79,-10.366,-0.6409999999999999,8,-4.0,0.673019052,-,3.7457,-,3.7457,https://www.genome.jp/dbget-bin/www_bget?dr:D02032
1004,D02286, Betamethasone benzoate (USP), Corticosteroids acting locally,A07EA04,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.3295,-3.6289,-2.9648,-2.8657,-2.347,-1.9154,1.3032,1.3249,1.3985,1.4326,1.531,D02286_A07EA04,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1005,D02286, Betamethasone benzoate (USP), Corticosteroids,C05AA05,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2966,-3.6276,-2.9565,-2.8949,-2.3638,-1.9329,1.4246,1.4453,1.5395,1.7615,1.8666,D02286_C05AA05,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1006,D02286, Betamethasone benzoate (USP)," Corticosteroids, potent (group III)",D07AC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.3318,-3.6293,-2.9808,-2.8765,-2.3577,-1.9169999999999998,1.252,1.3042,1.3974,1.4212,1.5274,D02286_D07AC01,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1007,D02286, Betamethasone benzoate (USP)," Corticosteroids, potent, other combinations",D07XC01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2293,-3.6296,-2.9775,-2.9159,-2.3521,-1.916,1.3855,1.3995,1.4081,1.4329,1.5399,D02286_D07XC01,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1008,D02286, Betamethasone benzoate (USP), Glucocorticoids,H02AB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2373,-3.6289,-2.9671,-2.9188,-2.3504,-1.9115,1.325,1.3349,1.395,1.4276,1.5357,D02286_H02AB01,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1009,D02286, Betamethasone benzoate (USP), Corticosteroids,R01AD06,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.3353,-3.6295,-2.9768,-2.8807,-2.3488,-1.9129,1.2558,1.3186,1.3976,1.4219,1.5353,D02286_R01AD06,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1010,D02286, Betamethasone benzoate (USP), Glucocorticoids,R03BA04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.314,-3.6293,-2.9785,-2.8758,-2.3549,-1.9135,1.3511,1.3604,1.4064,1.4293,1.5338,D02286_R03BA04,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1011,D02286, Betamethasone benzoate (USP)," Corticosteroids, plain",S01BA06,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2429,-3.6291,-2.9765,-2.8975,-2.3624,-1.9094,1.3689,1.3705,1.4105,1.4328,1.5321,D02286_S01BA06,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1012,D02286, Betamethasone benzoate (USP), Corticosteroids/antiinfectives/mydriatics in combination,S01CB04,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.3053,-3.6289999999999996,-2.9763,-2.8619,-2.3537,-1.9103,1.3415,1.3605,1.3955,1.4354,1.5295,D02286_S01CB04,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1013,D02286, Betamethasone benzoate (USP), Corticosteroids,S02BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2168,-3.6286,-2.9697,-2.8882,-2.3688,-2.0932,1.4278,1.4723,1.4893,1.5214,1.5261,D02286_S02BA07,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1014,D02286, Betamethasone benzoate (USP), Corticosteroids,S03BA03,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)OC(=O)c1ccccc1)C)C)O)F)C,496.56699999999995,3.7604,131.595,100.9,39,2,6,SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",-4.2718,-3.6289999999999996,-2.9761,-2.8979,-2.3648,-1.923,1.3959,1.3997,1.4347,1.5414,1.7581,D02286_S03BA03,00020002000002e40a00020300020000000000902040480002200080000420001408520000800001a00a020821000000012002000020411300000082000082000810080200040000000081002880020400d000400000000040081001000100010204000280000000004000005014280000130900000110000008408102000100,1400003c30b005,1f3900000000010000009000000000000001000000000000000000000000000000004240437804,000000020002020082084285949d2ce4ad5cb7d71e,1,6,62,5,0,5,69,73,-10.241,-0.636,8,0.0,0.7480384109999999,-,3.406,-,3.406,https://www.genome.jp/dbget-bin/www_bget?dr:D02286
1015,D08610, Tixocortol (INN), Corticosteroids acting locally,A07EA05,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@](CC2)(O)C(=O)CS)C,378.526,2.7191,104.302,113.4,35,3,5,YWDBSCORAARPPF-VWUMJDOOSA-N,C21H30O4S,SCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3112,-2.9664,-2.3249,-1.9349,-1.8461,-1.5759,1.1069,1.1452,1.2333,1.3444,1.4113,D08610_A07EA05,0000010100000224000000010000000040000080004040000000000000002000100000000085000180020000000000000120000000204102200000000000000008000800000400000000840028800204005002400000000000801000000020010204000080000000000000000000280000001000000000000000008100000100,1400006c00a001,1f6800000800010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208828694892cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.206,-0.115,7,0.0,0.604238272,-,2.0825,-,2.0825,https://www.genome.jp/dbget-bin/www_bget?dr:D08610
1016,D08610, Tixocortol (INN), Corticosteroids,R01AD07,RESPIRATORY SYSTEM,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@](CC2)(O)C(=O)CS)C,378.526,2.7191,104.302,113.4,35,3,5,YWDBSCORAARPPF-VWUMJDOOSA-N,C21H30O4S,SCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",-3.3161,-2.9776,-2.3202,-1.9231,-1.8143,-1.2432,1.0844,1.2375,1.3468,1.423,1.6077,D08610_R01AD07,0000010100000224000000010000000040000080004040000000000000002000100000000085000180020000000000000120000000204102200000000000000008000800000400000000840028800204005002400000000000801000000020010204000080000000000000000000280000001000000000000000008100000100,1400006c00a001,1f6800000800010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208828694892cc08d4cb7d71c,0,0,56,3,0,2,56,59,-9.206,-0.115,7,0.0,0.604238272,-,2.0825,-,2.0825,https://www.genome.jp/dbget-bin/www_bget?dr:D08610
1017,D06171, Tixocortol pivalate (USAN), Corticosteroids acting locally,A07EA05,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@](CC2)(O)C(=O)CSC(=O)C(C)(C)C)C,462.642,4.0952,127.939,116.97,44,2,6,BISFDZNIUZIKJD-XDANTLIUSA-N,C26H38O5S,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)CSC(=O)C(C)(C)C)C)C,"InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.3614,-3.3061,-2.9741,-2.3431,-1.9616,-1.9331,1.3352,1.3401,1.4042,1.4306,1.5775,D06171_A07EA05,0000010100000224200000010010000040000080004040000000000000002008100020000087000182020000000000400120000000204102200000000000000408000800000400000000840028800304005102400000000041c01000000060050204000080000000000000000000290004001000200005000001008100000100,1400006c00a101,1f6800000000010000008002000000000001000000000000000000000000000000004040407805,0000000200000200820a818694892cc08d5cb7d71c,0,0,69,4,0,5,70,73,-9.426,-0.5539999999999999,7,0.0,0.67284894,-,3.4065,-,3.4065,https://www.genome.jp/dbget-bin/www_bget?dr:D06171
1018,D06171, Tixocortol pivalate (USAN), Corticosteroids,R01AD07,RESPIRATORY SYSTEM,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@](CC2)(O)C(=O)CSC(=O)C(C)(C)C)C,462.642,4.0952,127.939,116.97,44,2,6,BISFDZNIUZIKJD-XDANTLIUSA-N,C26H38O5S,O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)CSC(=O)C(C)(C)C)C)C,"InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1",-4.352,-3.3064,-2.9819,-2.3478,-1.9728,-1.9335,1.1187,1.172,1.2296,1.3367,1.4097,D06171_R01AD07,0000010100000224200000010010000040000080004040000000000000002008100020000087000182020000000000400120000000204102200000000000000408000800000400000000840028800304005102400000000041c01000000060050204000080000000000000000000290004001000200005000001008100000100,1400006c00a101,1f6800000000010000008002000000000001000000000000000000000000000000004040407805,0000000200000200820a818694892cc08d5cb7d71c,0,0,69,4,0,5,70,73,-9.426,-0.5539999999999999,7,0.0,0.67284894,-,3.4065,-,3.4065,https://www.genome.jp/dbget-bin/www_bget?dr:D06171
1019,D00246, Budesonide (JAN/USAN/INN), Corticosteroids acting locally,A07EA06,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)O[C@@H](O1)CCC)C)O)C,430.534,2.7168,115.18299999999999,93.06,40,2,6,VOVIALXJUBGFJZ-VXKMTNQYSA-N,C25H34O6,CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1",-3.6041,-3.1787,-3.1596,-2.9737,-2.3467,-1.9337,1.2964,1.3043,1.4293,1.4380000000000002,1.9514,D00246_A07EA06,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008142000100,1400003c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820806859499aec48d5db7d71c,0,0,65,4,0,4,65,69,-10.311,-0.517,9,-1.0,0.35669127100000003,+,2.6416,-,2.6416,https://www.genome.jp/dbget-bin/www_bget?dr:D00246
1020,D00246, Budesonide (JAN/USAN/INN)," Corticosteroids, potent (group III)",D07AC09,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)O[C@@H](O1)CCC)C)O)C,430.534,2.7168,115.18299999999999,93.06,40,2,6,VOVIALXJUBGFJZ-VXKMTNQYSA-N,C25H34O6,CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1",-3.635,-3.1621,-3.1455,-2.9793,-2.3595,-1.9275,1.4167,1.4409999999999998,1.5183,1.7498,1.7777,D00246_D07AC09,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008142000100,1400003c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820806859499aec48d5db7d71c,0,0,65,4,0,4,65,69,-10.311,-0.517,9,-1.0,0.35669127100000003,+,2.6416,-,2.6416,https://www.genome.jp/dbget-bin/www_bget?dr:D00246
1021,D00246, Budesonide (JAN/USAN/INN), Corticosteroids,R01AD05,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)O[C@@H](O1)CCC)C)O)C,430.534,2.7168,115.18299999999999,93.06,40,2,6,VOVIALXJUBGFJZ-VXKMTNQYSA-N,C25H34O6,CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1",-3.6416,-3.0935,-3.0826,-2.9637,-2.3425,-1.9376,1.2488,1.4085,1.4428,1.6897,1.9074,D00246_R01AD05,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008142000100,1400003c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820806859499aec48d5db7d71c,0,0,65,4,0,4,65,69,-10.311,-0.517,9,-1.0,0.35669127100000003,+,2.6416,-,2.6416,https://www.genome.jp/dbget-bin/www_bget?dr:D00246
1022,D00246, Budesonide (JAN/USAN/INN), Glucocorticoids,R03BA02,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)O[C@@H](O1)CCC)C)O)C,430.534,2.7168,115.18299999999999,93.06,40,2,6,VOVIALXJUBGFJZ-VXKMTNQYSA-N,C25H34O6,CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1",-3.6062,-3.1654,-3.1607,-2.9715,-2.3658,-1.9185,1.4376,1.5763,1.7388,1.7413,1.9418,D00246_R03BA02,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008142000100,1400003c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820806859499aec48d5db7d71c,0,0,65,4,0,4,65,69,-10.311,-0.517,9,-1.0,0.35669127100000003,+,2.6416,-,2.6416,https://www.genome.jp/dbget-bin/www_bget?dr:D00246
1023,D07495, Beclometasone (INN), Corticosteroids acting locally,A07EA07,ALIMENTARY TRACT AND METABOLISM,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(O)C(=O)CO,408.916,2.165,106.70100000000001,94.83,34,3,5,NBMKJKDGKREAPL-DVTGEIKXSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6434,-2.9747,-2.3469,-2.3361,-1.9318,-1.8073,1.508,1.5738,1.5856,1.8397,2.0632,D07495_A07EA07,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d2cc0ad5cb7d71c,0,0,56,4,0,2,57,60,-10.277000000000001,-0.542,8,1.0,0.254915118,-,2.147,-,2.147,https://www.genome.jp/dbget-bin/www_bget?dr:D07495
1024,D07495, Beclometasone (INN)," Corticosteroids, potent (group III)",D07AC15,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(O)C(=O)CO,408.916,2.165,106.70100000000001,94.83,34,3,5,NBMKJKDGKREAPL-DVTGEIKXSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6473,-2.9744,-2.3507,-2.3299,-1.9340000000000002,-1.8228,1.474,1.5903,1.598,1.7353,1.9780000000000002,D07495_D07AC15,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d2cc0ad5cb7d71c,0,0,56,4,0,2,57,60,-10.277000000000001,-0.542,8,1.0,0.254915118,-,2.147,-,2.147,https://www.genome.jp/dbget-bin/www_bget?dr:D07495
1025,D07495, Beclometasone (INN), Corticosteroids,R01AD01,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(O)C(=O)CO,408.916,2.165,106.70100000000001,94.83,34,3,5,NBMKJKDGKREAPL-DVTGEIKXSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6343,-2.9761,-2.3462,-2.3378,-1.9263,-1.8114,1.51,1.5716,1.5935,1.8262,2.0568,D07495_R01AD01,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d2cc0ad5cb7d71c,0,0,56,4,0,2,57,60,-10.277000000000001,-0.542,8,1.0,0.254915118,-,2.147,-,2.147,https://www.genome.jp/dbget-bin/www_bget?dr:D07495
1026,D07495, Beclometasone (INN), Glucocorticoids,R03BA01,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(O)C(=O)CO,408.916,2.165,106.70100000000001,94.83,34,3,5,NBMKJKDGKREAPL-DVTGEIKXSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6308,-2.9751,-2.3514,-2.3411,-1.9567,-1.9196,1.4407,1.5090000000000001,1.5581,1.6053,2.0666,D07495_R03BA01,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d2cc0ad5cb7d71c,0,0,56,4,0,2,57,60,-10.277000000000001,-0.542,8,1.0,0.254915118,-,2.147,-,2.147,https://www.genome.jp/dbget-bin/www_bget?dr:D07495
1027,D00689, Beclomethasone dipropionate (USP), Corticosteroids acting locally,A07EA07,ALIMENTARY TRACT AND METABOLISM,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(C(=O)COC(=O)CC)OC(=O)CC,521.0419999999999,4.0868,135.79,106.97,44,1,7,KUVIULQEHSCUHY-XYWKZLDCSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4337,-4.4255,-3.6201,-2.9989,-2.9955,-2.975,1.4334,1.4454,1.5308,1.5428,1.8565,D00689_A07EA07,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000380000030900000100000000008142000b00,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084085d49d2ee4a95cb7d71c,0,0,70,6,0,8,73,76,-10.28,-0.466,8,0.0,0.6747938990000001,-,3.5389,-,3.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D00689
1028,D00689, Beclomethasone dipropionate (USP)," Corticosteroids, potent (group III)",D07AC15,DERMATOLOGICALS,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(C(=O)COC(=O)CC)OC(=O)CC,521.0419999999999,4.0868,135.79,106.97,44,1,7,KUVIULQEHSCUHY-XYWKZLDCSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.4866,-4.4632,-3.6275,-2.9826,-2.9781,-2.9726,1.3367,1.3502,1.3957,1.432,1.534,D00689_D07AC15,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000380000030900000100000000008142000b00,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084085d49d2ee4a95cb7d71c,0,0,70,6,0,8,73,76,-10.28,-0.466,8,0.0,0.6747938990000001,-,3.5389,-,3.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D00689
1029,D00689, Beclomethasone dipropionate (USP), Corticosteroids,R01AD01,RESPIRATORY SYSTEM,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(C(=O)COC(=O)CC)OC(=O)CC,521.0419999999999,4.0868,135.79,106.97,44,1,7,KUVIULQEHSCUHY-XYWKZLDCSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.48,-4.4135,-3.6285,-3.0103,-2.9825,-2.9771,1.3941,1.4301,1.4304,1.4331,1.5334,D00689_R01AD01,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000380000030900000100000000008142000b00,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084085d49d2ee4a95cb7d71c,0,0,70,6,0,8,73,76,-10.28,-0.466,8,0.0,0.6747938990000001,-,3.5389,-,3.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D00689
1030,D00689, Beclomethasone dipropionate (USP), Glucocorticoids,R03BA01,RESPIRATORY SYSTEM,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(C(=O)COC(=O)CC)OC(=O)CC,521.0419999999999,4.0868,135.79,106.97,44,1,7,KUVIULQEHSCUHY-XYWKZLDCSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",-4.3768,-4.3614,-3.6287,-3.0356,-3.0029,-2.9781,1.4256,1.4868,1.5328,1.5686,1.5703,D00689_R03BA01,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000380000030900000100000000008142000b00,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084085d49d2ee4a95cb7d71c,0,0,70,6,0,8,73,76,-10.28,-0.466,8,0.0,0.6747938990000001,-,3.5389,-,3.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D00689
1031,D07753, Cromoglicic acid (INN)," Antiallergic agents, excl. corticosteroids",A07EB01,ALIMENTARY TRACT AND METABOLISM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.9021,-4.8817,-4.7506,-4.7037,-3.1505,-3.1497,1.3593,1.4677,2.3534,2.3569,2.6047,D07753_A07EB01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.3260000000000005,3.236,0,0.0,4.79669e-06,+,2.9905,-,2.9905,https://www.genome.jp/dbget-bin/www_bget?dr:D07753
1032,D07753, Cromoglicic acid (INN)," Agents for dermatitis, excluding corticosteroids",D11AH03,DERMATOLOGICALS,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.9319,-4.8839999999999995,-4.758,-4.7276,-3.1565,-3.142,1.2613,1.3713,2.3587,2.3737,2.6125,D07753_D11AH03,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.3260000000000005,3.236,0,0.0,4.79669e-06,+,2.9905,-,2.9905,https://www.genome.jp/dbget-bin/www_bget?dr:D07753
1033,D07753, Cromoglicic acid (INN)," Antiallergic agents, excl. corticosteroids",R01AC01,RESPIRATORY SYSTEM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.9106,-4.905,-4.7266,-4.6972,-3.1460000000000004,-3.1451,1.2691,1.2955,2.3587,2.3609,2.5949,D07753_R01AC01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.3260000000000005,3.236,0,0.0,4.79669e-06,+,2.9905,-,2.9905,https://www.genome.jp/dbget-bin/www_bget?dr:D07753
1034,D07753, Cromoglicic acid (INN)," Antiallergic agents, excl. corticosteroids",R03BC01,RESPIRATORY SYSTEM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.8954,-4.8946,-4.7267,-4.7213,-3.1489,-3.1482,1.2548,1.2606,2.3533,2.3601,2.5829,D07753_R03BC01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.3260000000000005,3.236,0,0.0,4.79669e-06,+,2.9905,-,2.9905,https://www.genome.jp/dbget-bin/www_bget?dr:D07753
1035,D07753, Cromoglicic acid (INN), Other antiallergics,S01GX01,SENSORY ORGANS,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.888999999999999,-4.8821,-4.7893,-4.7565,-3.1499,-3.1494,1.2601,1.3253,2.3573,2.3852,2.603,D07753_S01GX01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.3260000000000005,3.236,0,0.0,4.79669e-06,+,2.9905,-,2.9905,https://www.genome.jp/dbget-bin/www_bget?dr:D07753
1036,D00526, Cromolyn sodium (USP)," Antiallergic agents, excl. corticosteroids",A07EB01,ALIMENTARY TRACT AND METABOLISM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.8877,-4.8328,-4.7605,-4.736000000000001,-3.1496,-3.1485,1.2545,1.2554,2.3544,2.3601,2.5894,D00526_A07EB01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.324,3.253,0,1.0,4.7951800000000006e-06,+,2.9360000000000004,-,2.9360000000000004,https://www.genome.jp/dbget-bin/www_bget?dr:D00526
1037,D00526, Cromolyn sodium (USP)," Agents for dermatitis, excluding corticosteroids",D11AH03,DERMATOLOGICALS,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.8935,-4.8887,-4.7302,-4.7272,-3.1513,-3.1487,1.2504,1.2584,2.353,2.3576,2.6017,D00526_D11AH03,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.324,3.253,0,1.0,4.7951800000000006e-06,+,2.9360000000000004,-,2.9360000000000004,https://www.genome.jp/dbget-bin/www_bget?dr:D00526
1038,D00526, Cromolyn sodium (USP)," Antiallergic agents, excl. corticosteroids",R01AC01,RESPIRATORY SYSTEM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.9179,-4.8195,-4.7895,-4.7002,-3.1824,-3.1353,1.2525,1.2626,2.3595,2.3598,2.5622,D00526_R01AC01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.324,3.253,0,1.0,4.7951800000000006e-06,+,2.9360000000000004,-,2.9360000000000004,https://www.genome.jp/dbget-bin/www_bget?dr:D00526
1039,D00526, Cromolyn sodium (USP)," Antiallergic agents, excl. corticosteroids",R03BC01,RESPIRATORY SYSTEM,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.906000000000001,-4.8916,-4.7227,-4.6979,-3.1489,-3.1474,1.2511,1.2586,2.3526,2.3574,2.5891,D00526_R03BC01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.324,3.253,0,1.0,4.7951800000000006e-06,+,2.9360000000000004,-,2.9360000000000004,https://www.genome.jp/dbget-bin/www_bget?dr:D00526
1040,D00526, Cromolyn sodium (USP), Other antiallergics,S01GX01,SENSORY ORGANS,c1c(oc2c(c1=O)c(ccc2)OCC(O)COc1cccc2c1c(=O)cc(o2)C(=O)O)C(=O)O,468.36699999999996,2.1145,115.725,173.71,23,3,11,IMZMKUWMOSJXDT-UHFFFAOYSA-N,C23H16O11,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",-4.8946,-4.8943,-4.7288,-4.7069,-3.1468,-3.1439,1.5667,1.6219,2.352,2.3632,2.5944,D00526_S01GX01,00000000000000c0000882098122001000009008b5000004800000a0000000281402580a00002005280a021800000000000202000000000b40000002004000000820080021002001880020000284804000a000411000000040080041004108020002004000000002204000820012000000020100090108280808200040000004,0400002c50b003,00280200000000000000880000000000400100000000a100000000000000000000004640402800,000000000000000180000001921181648c4f83571e,0,22,27,4,0,8,50,53,-4.324,3.253,0,1.0,4.7951800000000006e-06,+,2.9360000000000004,-,2.9360000000000004,https://www.genome.jp/dbget-bin/www_bget?dr:D00526
1041,D02589, Cromoglicate lisetil (INN)," Antiallergic agents, excl. corticosteroids",A07EB01,ALIMENTARY TRACT AND METABOLISM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.3861,-5.3584,-5.3578,-5.3559,-5.3449,-5.3445,1.7668,1.7721,1.7781,1.7783,1.9918,D02589_A07EB01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.913,-6.412000000000001,1,,0.0020294329999999998,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D02589
1042,D02589, Cromoglicate lisetil (INN)," Agents for dermatitis, excluding corticosteroids",D11AH03,DERMATOLOGICALS,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.4475,-5.4097,-5.3649,-5.36,-5.3212,-5.3069,1.7669,1.7957,1.8819,1.9883,2.4212,D02589_D11AH03,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.913,-6.412000000000001,1,,0.0020294329999999998,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D02589
1043,D02589, Cromoglicate lisetil (INN)," Antiallergic agents, excl. corticosteroids",R01AC01,RESPIRATORY SYSTEM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.3732,-5.3659,-5.3578,-5.3535,-5.3511,-5.3402,1.7736,1.7812,1.7928,1.9231,2.1595,D02589_R01AC01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.913,-6.412000000000001,1,,0.0020294329999999998,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D02589
1044,D02589, Cromoglicate lisetil (INN)," Antiallergic agents, excl. corticosteroids",R03BC01,RESPIRATORY SYSTEM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.4023,-5.3739,-5.3699,-5.3432,-5.3307,-5.3259,1.7816,1.7898,1.8122,1.837,2.5903,D02589_R03BC01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.913,-6.412000000000001,1,,0.0020294329999999998,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D02589
1045,D02589, Cromoglicate lisetil (INN), Other antiallergics,S01GX01,SENSORY ORGANS,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.367000000000001,-5.3607,-5.358,-5.3569,-5.3543,-5.3492,1.7692,1.7743,1.7778,1.8864,2.2191,D02589_S01GX01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.913,-6.412000000000001,1,,0.0020294329999999998,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D02589
1046,D09790, Cromoglicate lisetil hydrochloride (JAN," Antiallergic agents, excl. corticosteroids",A07EB01,ALIMENTARY TRACT AND METABOLISM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.3778,-5.3739,-5.3694,-5.3631,-5.3525,-5.3221,1.7531,1.7727,1.7774,1.7928,2.5357,D09790_A07EB01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.912,-6.412999999999999,1,2.0,0.002030477,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D09790
1047,D09790, Cromoglicate lisetil hydrochloride (JAN," Agents for dermatitis, excluding corticosteroids",D11AH03,DERMATOLOGICALS,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.3922,-5.3791,-5.3771,-5.3602,-5.3363,-5.3324,1.7642,1.765,1.7866,1.9509,2.0506,D09790_D11AH03,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.912,-6.412999999999999,1,2.0,0.002030477,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D09790
1048,D09790, Cromoglicate lisetil hydrochloride (JAN," Antiallergic agents, excl. corticosteroids",R01AC01,RESPIRATORY SYSTEM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.3736,-5.3675,-5.3671,-5.3578,-5.355,-5.3499,1.7671,1.7691,1.77,1.7731,1.9169,D09790_R01AC01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.912,-6.412999999999999,1,2.0,0.002030477,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D09790
1049,D09790, Cromoglicate lisetil hydrochloride (JAN," Antiallergic agents, excl. corticosteroids",R03BC01,RESPIRATORY SYSTEM,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.4401,-5.3879,-5.3674,-5.365,-5.3603,-5.3545,1.7784,1.8259,1.902,2.0385,2.1435,D09790_R03BC01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.912,-6.412999999999999,1,2.0,0.002030477,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D09790
1050,D09790, Cromoglicate lisetil hydrochloride (JAN, Other antiallergics,S01GX01,SENSORY ORGANS,c12c(oc(cc2=O)C(=O)OCC)cccc1OCC(COc1c2c(oc(cc2=O)C(=O)OCC)ccc1)OC(=O)[C@H](CCCC[NH3+])[NH3+],654.661,1.6451,170.875,213.06,48,2,12,NGJJDHCBOKNREV-FQEVSTJZSA-P,C33H38N2O12++,CCOC(=O)c1cc(=O)c2c(o1)cccc2OCC(OC(=O)C(CCCC[NH3+])[NH3+])COc1cccc2c1c(=O)cc(o2)C(=O)OCC,"InChI=1S/C33H36N2O12/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3/p+2/t20-/m0/s1",-5.4166,-5.3823,-5.3726,-5.3693,-5.3456,-5.3427,1.8162,1.8166,1.9254,2.3418,2.3755,D09790_S01GX01,00000000004000c0000886098122001020009008b5000804802000a0000400281402580a00202007380a021820000000010202000220400b400000020040820008b00902211020018800a1000a84804600b0014110010000c0880041006108024002004000000002204000821012080000070180090508280808200140001104,0500000070f005,0300c200040000000000900000000000400100000000a100000000000000000000004640c02a04,0000000000000101800002479a51a3648d6bd7ff1f,0,22,61,5,0,19,85,88,-12.912,-6.412999999999999,1,2.0,0.002030477,+,5.767,-,5.767,https://www.genome.jp/dbget-bin/www_bget?dr:D09790
1051,D00448, Sulfasalazine (USP/INN), Aminosalicylic acid and similar agents,A07EC01,ALIMENTARY TRACT AND METABOLISM,c1(S(=O)(=O)Nc2ccccn2)ccc(cc1)/N=N/c1cc(c(cc1)O)C(=O)O,398.39300000000003,4.8554,100.95100000000001,149.69,22,3,9,NCEXYHBECQHGNR-QZQOTICOSA-N,C18H14N4O5S,OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+",-9.3768,-9.3283,-9.3274,-4.5039,-4.4041,-4.2591,2.4134,2.7701,2.8103,2.9448,3.8892,D00448_A07EC01,60000100800000c000000620080450004c00000480000480000000c1800405000c20600846088420209a220e000000c001602280000060000000800200a000000c202e105000288001000008028c040000800060042100004008040000030000000800000000000200400200120005000002b100024100610828880012000000,0400000c02b003,00000000000000000000880000000001c001000000019000000024000000000000000640433800,0000008021005c9e151181212382514dd6edeb7a1f,0,18,22,4,0,6,42,44,-5.482,-0.07200000000000001,0,1.0,0.001645889,+,0.9742,-,0.9742,https://www.genome.jp/dbget-bin/www_bget?dr:D00448
1052,D00377, Mesalamine (USP), Aminosalicylic acid and similar agents,A07EC02,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)O)C(=O)O)N,153.135,1.2538,39.8287,83.55,10,3,4,KBOPZPXVLCULAV-UHFFFAOYSA-N,C7H7NO3,Nc1ccc(c(c1)C(=O)O)O,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",-5.1044,-5.0981,-4.402,-4.2587,-1.9839,-1.6913,1.3712,1.6229,1.6523,1.7268,2.3176,D00377_A07EC02,00000000000000c00000060000004000000000000000040000000080000004000400400000000020200a0208000000400000028000000000000000020000000008200810400000000000000002800000008000400400000040080000000100000008000000000002004002000000000000020100000100200808000002000000,0400000c02b023,00004008000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000008010000014454c4e27a1f,0,6,11,1,0,1,18,18,-4.732,4.13,0,,3.82703e-08,-,0.1798,-,0.1798,https://www.genome.jp/dbget-bin/www_bget?dr:D00377
1053,D08295, Olsalazine (INN), Aminosalicylic acid and similar agents,A07EC03,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)O)C(=O)O)/N=N/c1cc(c(cc1)O)C(=O)O,302.23900000000003,2.9096,75.0246,139.78,16,4,8,QQBDLJCYGRGAKP-FOCLMDBBSA-N,C14H10N2O6,OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+",-4.4089,-4.4042,-4.271,-4.2621,-2.2873,-2.0149,1.7369999999999999,1.945,2.3046,2.3399,2.3621,D08295_A07EC03,00000000800000c000000600000050000000000000000480000000c1000405000420400002000020200a0208000000400000028000000000000080020080000008200810500000000000000802800000008000400401000040080400000300000008000000000002004002000000000000020100000100600808000002000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240433800,0000000000001800000000210000414cd4eca37a1f,0,12,18,3,0,4,32,33,-3.489,5.347,0,1.0,4.6386500000000003e-10,+,0.4946,-,0.4946,https://www.genome.jp/dbget-bin/www_bget?dr:D08295
1054,D00727, Olsalazine sodium (USAN), Aminosalicylic acid and similar agents,A07EC03,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)O)C(=O)O)/N=N/c1cc(c(cc1)O)C(=O)O,302.23900000000003,2.9096,75.0246,139.78,16,4,8,QQBDLJCYGRGAKP-FOCLMDBBSA-N,C14H10N2O6,OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+",-4.4068,-4.3975,-4.2663,-4.255,-2.2955,-1.9996,1.7321,1.9507,2.3035,2.3403,2.3592,D00727_A07EC03,00000000800000c000000600000050000000000000000480000000c1000405000420400002000020200a0208000000400000028000000000000080020080000008200810500000000000000802800000008000400401000040080400000300000008000000000002004002000000000000020100000100600808000002000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240433800,0000000000001800000000210000414cd4eca37a1f,0,12,18,3,0,4,32,33,-3.4930000000000003,5.335,0,-1.0,4.63381e-10,+,0.4682,-,0.4682,https://www.genome.jp/dbget-bin/www_bget?dr:D00727
1055,D07488, Balsalazide (INN), Aminosalicylic acid and similar agents,A07EC04,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)O)C(=O)O)/N=N/c1ccc(cc1)C(=O)NCCC(=O)O,357.31800000000004,3.1012,90.4243,148.65,22,4,9,IPOKCKJONYRRHP-FMQUCBEESA-N,C17H15N3O6,OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+",-4.5616,-4.4293,-4.3823,-4.3034,-4.1652,-3.8404,2.1575,2.3384,2.3618,2.3665,2.4294,D07488_A07EC04,00020000800004e001000600000150000000008000000480000000c1011405001c20400082000021208e1218000000400002028010008000010080020080000008200810500400000000000802880008009000400401200040080400000300000018000200000002004002000040000000060180000110600818000002000000,0400000c02b003,0200000000000000000088000a000000c001000000010000000000000000000000000240433800,00000000000018000000022b8960714cdcece77f1f,0,12,26,4,0,8,41,42,-3.489,3.4610000000000003,0,0.0,3.0855599999999993e-08,+,0.9938,-,0.9938,https://www.genome.jp/dbget-bin/www_bget?dr:D07488
1056,D02715, Balsalazide disodium (USAN), Aminosalicylic acid and similar agents,A07EC04,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1)O)C(=O)O)/N=N/c1ccc(cc1)C(=O)NCCC(=O)O,357.31800000000004,3.1012,90.4243,148.65,22,4,9,IPOKCKJONYRRHP-FMQUCBEESA-N,C17H15N3O6,OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+",-4.5719,-4.4238,-4.3949,-4.2733,-4.1427,-3.8497,1.7234,2.295,2.3639,2.3657,2.4111,D02715_A07EC04,00020000800004e001000600000150000000008000000480000000c1011405001c20400082000021208e1218000000400002028010008000010080020080000008200810500400000000000802880008009000400401200040080400000300000018000200000002004002000040000000060180000110600818000002000000,0400000c02b003,0200000000000000000088000a000000c001000000010000000000000000000000000240433800,00000000000018000000022b8960714cdcece77f1f,0,12,26,4,0,8,41,42,-3.49,3.4610000000000003,0,,3.086e-08,+,0.9626,-,0.9626,https://www.genome.jp/dbget-bin/www_bget?dr:D02715
1057,D08464, Racecadotril (INN), Other antidiarrheals,A07XA04,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C[C@H](C(=O)NCC(=O)OCc1ccccc1)CSC(=O)C,385.477,3.3755,106.429,97.77,29,1,6,ODUOJXZPIYUATO-IBGZPJMESA-N,C21H23NO4S,O=C(CNC(=O)C(Cc1ccccc1)CSC(=O)C)OCc1ccccc1,"InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m0/s1",-4.3844,-4.3287,-4.3268,-3.8452,-3.8153,-2.9958,1.5852,1.5909,1.641,1.7038,2.2529,D08464_A07XA04,00060101024000603b00060000020000010000100000880000200080000e00001800400000030012200e8018000100600102400008000000000000020000021408000c0208100880000005000280010600b1044000103008c1480800000900040000002000000000004000009000000044061180000113000043000000000000,0400000030b105,0700000000000000000090020a0000000000000000000000000000000000000000000200402805,00000000000000000000834e083018a4890a43ff1f,0,12,36,3,0,12,50,51,-9.199,-0.21100000000000002,1,0.0,0.657716811,-,1.5478,-,1.5478,https://www.genome.jp/dbget-bin/www_bget?dr:D08464
1058,D05458, Phentermine (USAN/INN), Centrally acting antiobesity products,A08AA01,ALIMENTARY TRACT AND METABOLISM,c1(CC(C)(C)[NH3+])ccccc1,150.241,1.2496,49.8321,27.64,16,1,0,DHHVAGZRUROJKS-UHFFFAOYSA-O,C10H16N+,CC(Cc1ccccc1)([NH3+])C,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3/p+1",-5.377999999999999,-5.3749,-5.3578,-4.1111,-0.7055,-0.5846,1.5406,1.5411,1.5515,1.756,1.7596,D05458_A08AA01,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000202000080c00400000050ac17,0,6,21,0,0,2,27,27,-12.984000000000002,-4.005,0,0.0,1.13833e-05,+,0.4853,-,0.4853,https://www.genome.jp/dbget-bin/www_bget?dr:D05458
1059,D05459, Phentermine hydrochloride (USP), Centrally acting antiobesity products,A08AA01,ALIMENTARY TRACT AND METABOLISM,c1(CC(C)(C)[NH3+])ccccc1,150.241,1.2496,49.8321,27.64,16,1,0,DHHVAGZRUROJKS-UHFFFAOYSA-O,C10H16N+,CC(Cc1ccccc1)([NH3+])C,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3/p+1",-5.3789,-5.3753,-5.3573,-4.111000000000001,-0.705,-0.5882,1.5401,1.5414,1.5518,1.7558,1.7599,D05459_A08AA01,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000202000080c00400000050ac17,0,6,21,0,0,2,27,27,-12.985999999999999,-4.005,0,0.0,1.13777e-05,+,0.4853,-,0.4853,https://www.genome.jp/dbget-bin/www_bget?dr:D05459
1060,D07945, Fenfluramine (INN), Centrally acting antiobesity products,A08AA02,ALIMENTARY TRACT AND METABOLISM,c1(cc(ccc1)C(F)(F)F)C[C@H]([NH2+]CC)C,232.265,2.2197,59.6974,16.61,17,1,0,DBGIVFWFUFKIQN-SECBINFHSA-O,C12H17F3N+,CC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1/t9-/m1/s1",-5.7031,-5.689,-4.3794,-4.3302,-4.1981,-4.1879,1.5173,1.5499,1.5629,1.5699,1.577,D07945_A08AA02,0006000000001000020006000000000400000090000000000000008000000000100040810000000100002018000100000102000000000000000000020000000008000800000000000000000102000000028000400000300850080800800800000000000000040000000000000110000000060100000110000000010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000000a0088ce0e00210050ad17,3,6,27,0,0,5,33,33,-13.288,-4.147,1,0.0,0.001021826,-,0.7321,-,0.7321,https://www.genome.jp/dbget-bin/www_bget?dr:D07945
1061,D04148, Fenfluramine hydrochloride (USAN), Centrally acting antiobesity products,A08AA02,ALIMENTARY TRACT AND METABOLISM,c1(cc(ccc1)C(F)(F)F)C[C@H]([NH2+]CC)C,232.265,2.2197,59.6974,16.61,17,1,0,DBGIVFWFUFKIQN-SECBINFHSA-O,C12H17F3N+,CC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1/t9-/m1/s1",-5.7067,-5.6884,-4.3724,-4.3169,-4.195,-4.1844,1.4966,1.5481,1.5590000000000002,1.5706,1.5862,D04148_A08AA02,0006000000001000020006000000000400000090000000000000008000000000100040810000000100002018000100000102000000000000000000020000000008000800000000000000000102000000028000400000300850080800800800000000000000040000000000000110000000060100000110000000010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000000a0088ce0e00210050ad17,3,6,27,0,0,5,33,33,-13.289000000000001,-4.147,1,0.0,0.001021432,-,0.7321,-,0.7321,https://www.genome.jp/dbget-bin/www_bget?dr:D04148
1062,D07444, Amfepramone (INN), Centrally acting antiobesity products,A08AA03,ALIMENTARY TRACT AND METABOLISM,c1(C(=O)[C@H]([NH+](CC)CC)C)ccccc1,206.304,1.1825,64.8252,21.51,21,1,1,XXEPPPIWZFICOJ-LLVKDONJSA-O,C13H20NO+,CC[NH+](C(C(=O)c1ccccc1)C)CC,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/p+1/t11-/m1/s1",-6.0222,-4.9736,-4.565,-4.5356,-2.8367,-2.2513,1.5816,1.5958,1.6081,1.7597,2.2143,D07444_A08AA03,000600000040008002000600000000040000000000000000000000800000000014004081000000000002221800010000010200000000000000000002000000000000000000000000000000000280000200b000400000300840080800800800000000000000000000000000000000000000060100000110000008000000000000,1500000000f001,010040020400010000000000000000000001000000000000000000000000000000000240c02a04,00000000000001000000324008000a020012d8af1f,0,6,28,1,0,5,35,35,-13.228,-4.087,1,0.0,0.000650571,+,0.1603,-,0.1603,https://www.genome.jp/dbget-bin/www_bget?dr:D07444
1063,D03801, Diethylpropion hydrochloride (USP), Centrally acting antiobesity products,A08AA03,ALIMENTARY TRACT AND METABOLISM,c1(C(=O)[C@H]([NH+](CC)CC)C)ccccc1,206.304,1.1825,64.8252,21.51,21,1,1,XXEPPPIWZFICOJ-LLVKDONJSA-O,C13H20NO+,CC[NH+](C(C(=O)c1ccccc1)C)CC,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/p+1/t11-/m1/s1",-6.0058,-4.9282,-4.5608,-4.5544,-2.8401,-2.2323,1.5592,1.5892,1.6173,1.7673,2.1913,D03801_A08AA03,000600000040008002000600000000040000000000000000000000800000000014004081000000000002221800010000010200000000000000000002000000000000000000000000000000000280000200b000400000300840080800800800000000000000000000000000000000000000060100000110000008000000000000,1500000000f001,010040020400010000000000000000000001000000000000000000000000000000000240c02a04,00000000000001000000324008000a020012d8af1f,0,6,28,1,0,5,35,35,-13.229000000000001,-4.086,1,,0.000650422,+,0.1603,-,0.1603,https://www.genome.jp/dbget-bin/www_bget?dr:D03801
1064,D07805, Dexfenfluramine (INN), Centrally acting antiobesity products,A08AA04,ALIMENTARY TRACT AND METABOLISM,C([C@@H]([NH2+]CC)C)c1cc(ccc1)C(F)(F)F,232.265,2.2197,59.6974,16.61,17,1,0,DBGIVFWFUFKIQN-VIFPVBQESA-O,C12H17F3N+,CC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1/t9-/m0/s1",-5.7021,-5.6978,-4.3787,-4.3307,-4.1985,-4.1893,1.5618,1.5665,1.5709,1.5774,1.6567,D07805_A08AA04,0006000000001000020006000000000400000090000000000000008000000000100040810000000100002018000100000102000000000000000000020000000008000800000000000000000102000000028000400000300850080800800800000000000000040000000000000110000000060100000110000000010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000000a0088ce0e00210050ad17,3,6,27,0,0,5,33,33,-13.289000000000001,-4.147,1,-1.0,0.000884198,-,0.7321,-,0.7321,https://www.genome.jp/dbget-bin/www_bget?dr:D07805
1065,D03713, Dexfenfluramine hydrochloride (USAN), Centrally acting antiobesity products,A08AA04,ALIMENTARY TRACT AND METABOLISM,C([C@@H]([NH2+]CC)C)c1cc(ccc1)C(F)(F)F,232.265,2.2197,59.6974,16.61,17,1,0,DBGIVFWFUFKIQN-VIFPVBQESA-O,C12H17F3N+,CC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/p+1/t9-/m0/s1",-5.7033,-5.6894,-4.3758,-4.3288,-4.1951,-4.1871,1.5096,1.5594,1.5659,1.5768,1.5785,D03713_A08AA04,0006000000001000020006000000000400000090000000000000008000000000100040810000000100002018000100000102000000000000000000020000000008000800000000000000000102000000028000400000300850080800800800000000000000040000000000000110000000060100000110000000010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000000a0088ce0e00210050ad17,3,6,27,0,0,5,33,33,-13.293,-4.148,1,0.0,0.000884299,-,0.7321,-,0.7321,https://www.genome.jp/dbget-bin/www_bget?dr:D03713
1066,D00367, Mazindol (JAN/USP/INN), Centrally acting antiobesity products,A08AA05,ALIMENTARY TRACT AND METABOLISM,[C@@]1(N2C(=[NH]CC2)c2c1cccc2)(c1ccc(cc1)Cl)O,285.748,2.1969,87.0865,47.32,17,2,2,DHMBOAAFPSUWPE-MRXNPFEDSA-N,C16H14ClN2O,Clc1ccc(cc1)C1(O)c2ccccc2C2=[NH]CCN12,"InChI=1S/C16H14ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,18,20H,9-10H2/t16-/m1/s1",-8.7293,-7.3412,-6.7154,-6.3995,-5.0849,-4.0742,2.3358,2.8037,3.137,3.5839,4.3422,D00367_A08AA05,00060200800004c2028006009801000a000000d000500440000420e08020000014004002184040402081002800002200000000000000000000000002002800008c0018000004240008802200e60c00020088004010002018530c0900100300000010000b00040010004001000800004000060118400120000008040048800000,0000000c00b001,000040010000000003008000000000000000000000040000000000000000000000004640402004,00000000200010200070568ed9e5f04324e7cd391f,0,12,24,1,0,1,34,37,-12.649000000000001,-5.72,1,1.0,0.009735484,+,0.8687,-,0.8687,https://www.genome.jp/dbget-bin/www_bget?dr:D00367
1067,D07114, Etilamfetamine (INN), Centrally acting antiobesity products,A08AA06,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C[C@H]([NH2+]CC)C,164.267,1.2009,54.6954,16.61,18,1,0,YAGBSNMZQKEFCO-SNVBAGLBSA-O,C11H18N+,CC[NH2+]C(Cc1ccccc1)C,"InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/p+1/t10-/m1/s1",-5.7056,-5.6863,-4.3837,-4.3334,-0.7497,-0.5106,1.4236,1.5517,1.5635,1.5759999999999998,1.5817,D07114_A08AA06,0006000000000000020006000000000400000000000000000000008000000000100040810000000000002018000100000102000000000000000000020000000000000000000000000000000002000000008000400000300840080800800800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a0088480e00010050ad17,0,6,24,0,0,4,30,30,-12.915,-3.965,1,1.0,0.000119876,+,0.6565,+,0.6565,https://www.genome.jp/dbget-bin/www_bget?dr:D07114
1068,D07627, Cathine (INN), Centrally acting antiobesity products,A08AA07,ALIMENTARY TRACT AND METABOLISM,c1([C@@H]([C@@H]([NH3+])C)O)ccccc1,152.214,0.3504,46.1489,47.87,15,2,1,DLNKOYKMWOXYQA-IONNQARKSA-O,C9H14NO+,OC(C([NH3+])C)c1ccccc1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1/t7-,9+/m0/s1",-5.3902,-5.3796,-5.3407,-4.1085,-2.8846,-2.104,1.5836,1.7388,1.7445,1.7603,1.9748,D07627_A08AA07,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000100000000000000000000020000000008000800000000000000000000000000008000400000100840080800000900000000000000000000004000000000000000060100000100000000000000000000,0100002c00f001,0128c0000400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000040000000000404c0b81f,0,6,19,0,0,2,25,25,-13.168,-3.9989999999999997,2,1.0,2.36124e-06,+,0.1545,-,0.1545,https://www.genome.jp/dbget-bin/www_bget?dr:D07627
1069,D07628, Cathine hydrochloride, Centrally acting antiobesity products,A08AA07,ALIMENTARY TRACT AND METABOLISM,c1([C@@H]([C@@H]([NH3+])C)O)ccccc1,152.214,0.3504,46.1489,47.87,15,2,1,DLNKOYKMWOXYQA-IONNQARKSA-O,C9H14NO+,OC(C([NH3+])C)c1ccccc1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1/t7-,9+/m0/s1",-5.391,-5.3783,-5.3419,-4.1088,-2.8854,-2.1035,1.5830000000000002,1.7386,1.7449,1.7605,1.9748,D07628_A08AA07,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000100000000000000000000020000000008000800000000000000000000000000008000400000100840080800000900000000000000000000004000000000000000060100000100000000000000000000,0100002c00f001,0128c0000400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000040000000000404c0b81f,0,6,19,0,0,2,25,25,-13.168,-3.9989999999999997,2,-1.0,2.36124e-06,+,0.1545,-,0.1545,https://www.genome.jp/dbget-bin/www_bget?dr:D07628
1070,D07115, Clobenzorex (INN), Centrally acting antiobesity products,A08AA08,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1Cl)C[NH2+][C@H](Cc1ccccc1)C,260.782,3.0346,79.3854,16.61,19,1,0,LRXXRIXDSAEIOR-ZDUSSCGKSA-O,C16H19ClN+,CC(Cc1ccccc1)[NH2+]Cc1ccccc1Cl,"InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/p+1/t13-/m0/s1",-5.7153,-5.6779,-5.6335,-4.3522,-0.8883,-0.7486,1.5496,1.5769,1.7790000000000001,1.8254,2.0183,D07115_A08AA08,000602000000042802000600000100040001008000000000000200c000200000100040810000000000812018000900000102000000000000000000020000000000000000000400000000000006080002008800400000300840080800800800000010000200000000000000000000000000060100000110000000000000800000,0100000000f001,030040010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000010000004a00c8440c00218061ad17,0,12,26,0,0,5,37,38,-12.825,-4.018,1,0.0,0.012518231999999999,+,0.5710000000000001,+,0.5710000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D07115
1071,D07891, Mefenorex (DCF), Centrally acting antiobesity products,A08AA09,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C[C@H]([NH2+]CCCCl)C,212.739,1.8099,64.2984,16.61,19,1,0,XXVROGAVTTXONC-LLVKDONJSA-O,C12H19ClN+,ClCCC[NH2+]C(Cc1ccccc1)C,"InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3/p+1/t11-/m1/s1",-5.7088,-5.6812,-4.3611,-4.3242,-0.9821,-0.7465,1.422,1.5514,1.5547,1.5744,1.5747,D07891_A08AA09,0026020100000000020006000000000400000000000000000000008800000000100040810001000000012018000100000102000000000000000000020000000000000000000000000000000002000000008002400000300840080800800800000000000000000000000000000000000000060100000110000000000000000200,0100000000f001,830040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a02c8482c80210244ad17,0,6,27,0,0,6,33,33,-12.839,-4.15,1,0.0,0.000788284,-,0.5376,-,0.5376,https://www.genome.jp/dbget-bin/www_bget?dr:D07891
1072,D04893, Mefenorex hydrochloride (USAN), Centrally acting antiobesity products,A08AA09,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C[C@H]([NH2+]CCCCl)C,212.739,1.8099,64.2984,16.61,19,1,0,XXVROGAVTTXONC-LLVKDONJSA-O,C12H19ClN+,ClCCC[NH2+]C(Cc1ccccc1)C,"InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3/p+1/t11-/m1/s1",-5.6831,-5.6822,-4.4115,-4.3684,-1.238,-0.9069,1.4091,1.5763,1.5764,1.5779,1.5836,D04893_A08AA09,0026020100000000020006000000000400000000000000000000008800000000100040810001000000012018000100000102000000000000000000020000000000000000000000000000000002000000008002400000300840080800800800000000000000000000000000000000000000060100000110000000000000000200,0100000000f001,830040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a02c8482c80210244ad17,0,6,27,0,0,6,33,33,-12.842,-4.149,1,1.0,0.000788341,-,0.5376,-,0.5376,https://www.genome.jp/dbget-bin/www_bget?dr:D04893
1073,D08513, Sibutramine (INN), Centrally acting antiobesity products,A08AA10,ALIMENTARY TRACT AND METABOLISM,C1(c2ccc(cc2)Cl)([C@H](CC(C)C)[NH+](C)C)CCC1,280.856,3.3209,86.4107,4.44,27,1,0,UNAANXDKBXWMLN-INIZCTEOSA-O,C17H27ClN+,CC(CC(C1(CCC1)c1ccc(cc1)Cl)[NH+](C)C)C,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/p+1/t16-/m0/s1",-6.0348,-4.6,-4.5926,-4.3588,-0.5722,-0.5706,1.3813,1.3949,1.4747,1.544,1.5946,D08513_A08AA10,00060200000002000200060002000004000000100000040000000080002000001000508100000000000120180001000001000000002000000000000200000000000000000000000010002000240000020088014000003008c0080800000800000000000000000000000000000000000000060100020110000000000100800000,0100000000f001,0f0040020400000000000000000000000000000000040000000000000000000000000200c02204,000400000000012002027016c0cc2c8221105cac17,0,6,41,0,0,5,46,47,-12.919,-3.7310000000000003,1,-1.0,0.032647817999999995,-,1.3552,-,1.3552,https://www.genome.jp/dbget-bin/www_bget?dr:D08513
1074,D02571, Sibutramine hydrochloride (USAN), Centrally acting antiobesity products,A08AA10,ALIMENTARY TRACT AND METABOLISM,C1(c2ccc(cc2)Cl)([C@H](CC(C)C)[NH+](C)C)CCC1,280.856,3.3209,86.4107,4.44,27,1,0,UNAANXDKBXWMLN-INIZCTEOSA-O,C17H27ClN+,CC(CC(C1(CCC1)c1ccc(cc1)Cl)[NH+](C)C)C,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/p+1/t16-/m0/s1",-6.0382,-4.6031,-4.596,-4.3609,-0.5959,-0.5686,1.3799,1.3966,1.4743,1.5444,1.5971,D02571_A08AA10,00060200000002000200060002000004000000100000040000000080002000001000508100000000000120180001000001000000002000000000000200000000000000000000000010002000240000020088014000003008c0080800000800000000000000000000000000000000000000060100020110000000000100800000,0100000000f001,0f0040020400000000000000000000000000000000040000000000000000000000000200c02204,000400000000012002027016c0cc2c8221105cac17,0,6,41,0,0,5,46,47,-12.917,-3.7319999999999998,1,4.0,0.032627478,-,1.3552,-,1.3552,https://www.genome.jp/dbget-bin/www_bget?dr:D02571
1075,D06613, Lorcaserin hydrochloride (USAN), Centrally acting antiobesity products,A08AA11,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](c2c(CC[NH2+]1)ccc(Cl)c2)C,196.696,3.1322,61.3704,16.61,15,1,0,XTTZERNUQAFMOF-QMMMGPOBSA-O,C11H15ClN+,Clc1ccc2c(c1)C(C)C[NH2+]CC2,"InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/p+1/t8-/m0/s1",-5.7026,-5.7014,-4.3912,-4.3753,-0.7508,-0.7436,1.423,1.5715,1.5727,1.5798,1.5828,D06613_A08AA11,0026020000000000020006000000000400000000000004000000008000200000100048810040000000012018000000000002000000000000000010020002000000000000000000800000200026000002008880400000200840080800800000000100000000000004000000002000000000060100000110000000000400800000,0100000000f001,070040010400000000000000000000000000000000040000000000000000000000004600c00204,000004000000010000006a00d84d2481218344a117,0,6,23,0,0,0,28,29,-12.898,-4.027,1,1.0,0.00031963900000000003,+,0.2935,+,0.2935,https://www.genome.jp/dbget-bin/www_bget?dr:D06613
1076,D04028, Orlistat (USAN/INN), Peripherally acting antiobesity products,A08AB01,ALIMENTARY TRACT AND METABOLISM,O1[C@H]([C@@H](C1=O)CCCCCC)C[C@H](CCCCCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O,495.735,7.9087,145.364,81.7,59,1,6,AHLBNYSZXLDEJQ-FWEHEUNISA-N,C29H53NO5,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",-4.4208,-4.3422,-4.2571,-3.8326,-3.813,-2.9394,1.4169,1.5199,1.5262,1.9431,2.0925,D04028_A08AB01,00020000004002200b00040000020000000000100000800000000000000400101800000000000013000e041020000000010000000020400100000000000082100810080008100000000080022880001400b00040000020008000000100000000000000000000000000000000c000080000070180000110000050000140000100,0400000030a005,07000000000000000000b0000a0000000000000000000000000000000000000000000400402805,80040000000000010002004180683ee48959f6fe19,0,0,85,3,0,24,88,88,-10.0,0.591,4,,0.9406282309999999,+,3.9465,-,3.9465,https://www.genome.jp/dbget-bin/www_bget?dr:D04028
1077,D05731, Rimonabant (JAN/USAN/INN), Other antiobesity drugs,A08AX01,ALIMENTARY TRACT AND METABOLISM,n1(c(c(c(n1)C(=O)N[NH+]1CCCCC1)C)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl,464.795,6.4816,126.88,51.36,25,2,4,JZCPYUJPEARBJL-UHFFFAOYSA-O,C22H22Cl3N4O+,Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)N[NH+]1CCCCC1,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)/p+1",-4.7549,-4.3903,-4.3568,-3.3927,-3.3918,-3.0036,1.6159,1.7172,1.7297,1.8169,1.9472,D05731_A08AX01,ea07068300020fc80b004e10844100156119001000002e1842c400c1126020001c4040830048807020a70518000010c0010222000001488400168082200002000c200c08c00800300006300016880002089811702c003101c808014004010002081400000000440022c000040000080110162110800118a00912404906e00000,0500000000f001,030000000000000000008000000000000001000000049800000000000000000000000640c03a00,000000000000092019c466eecb64b08b77a36dab1f,0,17,37,1,0,5,52,55,-11.806,-4.532,0,0.0,0.059769715999999994,+,1.7224,-,1.7224,https://www.genome.jp/dbget-bin/www_bget?dr:D05731
1078,D07539, Glutamic acid hydrochloride, Acid preparations,A09AB01,ALIMENTARY TRACT AND METABOLISM,[C@H](CCC(=O)O)(C(=O)O)[NH3+],148.137,-1.4537,33.6577,102.24,12,3,4,WHUUTDBJXJRKMK-VKHMYHEASA-O,C5H10NO4+,OC(=O)CCC(C(=O)O)[NH3+],"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p+1/t3-/m0/s1",-5.3867,-5.3753,-5.3194,-4.632,-4.6256,-4.6019,2.3685,2.3867,2.3987,2.6427,2.9801,D07539_A09AB01,00000000000000000000040000000000000000000000000000000000000000001000000000000003000a0010000000000100000000004000000000000000000008000800000000000000000220800004003000400000000080000200000000000000000000000000000000000000180000040000000000000000000100000300,0500000c00e002,0200c0000400000000008800000000100000000000000000000000000000000000000000c02a04,000000000000210000000046804020048c0c467e09,0,0,17,2,0,4,20,19,-4.84,2.696,1,0.0,,-,0.7845,-,0.7845,https://www.genome.jp/dbget-bin/www_bget?dr:D07539
1079,D03103, Betaine hydrochloride (USP), Acid preparations,A09AB02,ALIMENTARY TRACT AND METABOLISM,[N+](CC(=O)O)(C)(C)C,118.154,-0.2228,30.2952,37.3,13,1,2,KWIUHFFTVRNATP-UHFFFAOYSA-O,C5H12NO2+,OC(=O)C[N+](C)(C)C,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",-5.2468,-4.8142,-4.7992,-4.7989999999999995,-4.571000000000001,-4.4235,1.6263,2.3527,2.375,2.4692,2.8156,D03103_A09AB02,00020000004000000000040000000000000000000000000000000000000000000000000000000002000a0000000000000000000000000000000000000000000008000800000000000000000000800000002000400000200000000000000000000000000000000000000000008000000000040000000000000000000000000000,0500000c00e002,000040040400000000008800000000100000000000000000000000000000000000000000c02a00,00000020000001000002305088800406081418f709,0,0,18,1,0,2,20,19,-8.635,-0.41600000000000004,0,1.0,,+,0.4049,-,0.4049,https://www.genome.jp/dbget-bin/www_bget?dr:D03103
1080,D03103, Betaine hydrochloride (USP), Amino acids and derivatives,A16AA06,ALIMENTARY TRACT AND METABOLISM,[N+](CC(=O)O)(C)(C)C,118.154,-0.2228,30.2952,37.3,13,1,2,KWIUHFFTVRNATP-UHFFFAOYSA-O,C5H12NO2+,OC(=O)C[N+](C)(C)C,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",-5.2501,-4.8142,-4.8006,-4.7989,-4.5667,-4.4287,1.6307,2.3525,2.3729,2.4695,2.8095,D03103_A16AA06,00020000004000000000040000000000000000000000000000000000000000000000000000000002000a0000000000000000000000000000000000000000000008000800000000000000000000800000002000400000200000000000000000000000000000000000000000008000000000040000000000000000000000000000,0500000c00e002,000040040400000000008800000000100000000000000000000000000000000000000000c02a00,00000020000001000002305088800406081418f709,0,0,18,1,0,2,20,19,-8.635,-0.41600000000000004,0,1.0,,+,0.4049,-,0.4049,https://www.genome.jp/dbget-bin/www_bget?dr:D03103
1081,D00037," Citric acid, anhydrous (USP)", Acid preparations,A09AB04,ALIMENTARY TRACT AND METABOLISM,OC(=O)CC(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6123,-4.5889999999999995,-4.5692,-4.4205,-4.4126,-4.4042,2.3611,2.3764,2.3828,2.3957,2.4246,D00037_A09AB04,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.445,13.985999999999999,0,,,+,0.8193,-,0.8193,https://www.genome.jp/dbget-bin/www_bget?dr:D00037
1082,D01222, Citric acid monohydrate (USP), Acid preparations,A09AB04,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.586,-4.5822,-4.5763,-4.4519,-4.4365,-4.4157,2.36,2.3666,2.3847,2.4169,2.4405,D01222_A09AB04,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.366,13.795,0,0.0,,-,0.8818,-,0.8818,https://www.genome.jp/dbget-bin/www_bget?dr:D01222
1083,D08351, Phenformin (BAN), Biguanides,A10BA01,ALIMENTARY TRACT AND METABOLISM,c1(CCNC(=[NH2])NC(=[NH2])N)ccccc1,207.275,2.3465,63.2466,102.12,22,5,3,NGVFIEQDZJYTJW-UHFFFAOYSA-N,C10H17N5,[NH2]=C(NC(=[NH2])N)NCCc1ccccc1,"InChI=1S/C10H17N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5,14-15H,6-7,11-13H2",-12.4921,-12.4803,-12.3951,-11.9468,-11.8666,-10.7894,5.1235,5.4303,5.4366,5.5647,5.8801,D08351_A10BA01,0006000001000000020006001000000400000020000000400000008000000100100040810000000000002318000100000000000000000000000000020880000000003000000000000000000000100000028000400000200a620808000002000000200000040000000000000000000000000e0100000110000000000000000000,0000000000b001,0200c0000000000000000000000000000040000000000000000000000000000000000200402800,000000010004100000b00a06884260000420442d17,0,6,24,2,0,6,32,32,-14.354000000000001,-10.212,0,2.0,2.9590300000000003e-09,+,0.6498,-,0.6498,https://www.genome.jp/dbget-bin/www_bget?dr:D08351
1084,D08352, Phenformin hydrochloride, Biguanides,A10BA01,ALIMENTARY TRACT AND METABOLISM,c1(CCNC(=[NH2])NC(=[NH2])N)ccccc1,207.275,2.3465,63.2466,102.12,22,5,3,NGVFIEQDZJYTJW-UHFFFAOYSA-N,C10H17N5,[NH2]=C(NC(=[NH2])N)NCCc1ccccc1,"InChI=1S/C10H17N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5,14-15H,6-7,11-13H2",-12.561,-12.4851,-12.4768,-11.9096,-11.8907,-10.8347,5.0491,5.4594,5.5289,5.5343,5.9015,D08352_A10BA01,0006000001000000020006001000000400000020000000400000008000000100100040810000000000002318000100000000000000000000000000020880000000003000000000000000000000100000028000400000200a620808000002000000200000040000000000000000000000000e0100000110000000000000000000,0000000000b001,0200c0000000000000000000000000000040000000000000000000000000000000000200402800,000000010004100000b00a06884260000420442d17,0,6,24,2,0,6,32,32,-14.353,-10.214,0,0.0,3.2288499999999997e-09,+,0.6498,-,0.6498,https://www.genome.jp/dbget-bin/www_bget?dr:D08352
1085,D04966, Metformin (USAN/INN), Biguanides,A10BA02,ALIMENTARY TRACT AND METABOLISM,C(=[NH2])(NC(=[NH2])N)N(C)C,131.18,0.6849,38.8539,93.33,18,4,3,IVIMURSGAFCBQO-UHFFFAOYSA-N,C4H13N5,CN(C(=[NH2])NC(=[NH2])N)C,"InChI=1S/C4H13N5/c1-9(2)4(7)8-3(5)6/h8H,5-7H2,1-2H3",-12.4987,-12.4721,-12.3303,-11.9572,-11.7629,-9.0852,4.7151,5.457999999999999,5.4733,5.5492,5.8758,D04966_A10BA02,0000000001000000000004001000000000000020000000400000000000000000000000000000000000000200000100000000000000000000000000000000000000002000000000000000000000000000020000000000200002000000000000000020000000000000000000000000000000080000000000000000000000000000,0000000000a000,0000c0000000000000000000000000000040000000000000000000000000000000000000402800,000000010004100000b2381000024002042058a801,0,0,19,2,0,3,22,21,-18.469,-9.315,0,,,+,0.9858,-,0.9858,https://www.genome.jp/dbget-bin/www_bget?dr:D04966
1086,D00944, Metformin hydrochloride (JP17/USP), Biguanides,A10BA02,ALIMENTARY TRACT AND METABOLISM,C(=[NH2])(NC(=[NH2])N)N(C)C,131.18,0.6849,38.8539,93.33,18,4,3,IVIMURSGAFCBQO-UHFFFAOYSA-N,C4H13N5,CN(C(=[NH2])NC(=[NH2])N)C,"InChI=1S/C4H13N5/c1-9(2)4(7)8-3(5)6/h8H,5-7H2,1-2H3",-12.4918,-12.4825,-12.3605,-11.9865,-11.7854,-9.1139,4.6727,5.4510000000000005,5.4647,5.5619,5.8711,D00944_A10BA02,0000000001000000000004001000000000000020000000400000000000000000000000000000000000000200000100000000000000000000000000000000000000002000000000000000000000000000020000000000200002000000000000000020000000000000000000000000000000080000000000000000000000000000,0000000000a000,0000c0000000000000000000000000000040000000000000000000000000000000000000402800,000000010004100000b2381000024002042058a801,0,0,19,2,0,3,22,21,-18.47,-9.316,0,,,+,0.9858,-,0.9858,https://www.genome.jp/dbget-bin/www_bget?dr:D00944
1087,D00595, Buformin (USAN/INN), Biguanides,A10BA03,ALIMENTARY TRACT AND METABOLISM,N(C(=[NH2])NC(=[NH2])N)CCCC,159.233,1.9039,48.3736,102.12,22,5,3,QGQICXZTELIJMH-UHFFFAOYSA-N,C6H17N5,CCCCNC(=[NH2])NC(=[NH2])N,"InChI=1S/C6H17N5/c1-2-3-4-10-6(9)11-5(7)8/h10-11H,2-4,7-9H2,1H3",-12.4866,-12.4762,-12.3991,-11.9306,-11.8449,-10.8251,5.1205,5.4341,5.4422,5.5568,5.8782,D00595_A10BA03,00020000010008800000040010000000000000300000004000000000000001001000000000000000000003100001000001000000000000000000000000000000000030000000000000000000001000000200004000002002a20000000002000000200000040000000000000000000000000c0000000010000000000000000000,0000000000a000,0300c0000000000000000000000000000040000000000000000000000000000000000000402800,000000010004100000b00a0688426e00042044ad01,0,0,25,2,0,6,28,27,-16.725,-10.235,0,1.0,,+,0.813,-,0.813,https://www.genome.jp/dbget-bin/www_bget?dr:D00595
1088,D02206, Buformin hydrochloride (JP17), Biguanides,A10BA03,ALIMENTARY TRACT AND METABOLISM,N(C(=[NH2])NC(=[NH2])N)CCCC,159.233,1.9039,48.3736,102.12,22,5,3,QGQICXZTELIJMH-UHFFFAOYSA-N,C6H17N5,CCCCNC(=[NH2])NC(=[NH2])N,"InChI=1S/C6H17N5/c1-2-3-4-10-6(9)11-5(7)8/h10-11H,2-4,7-9H2,1H3",-12.4772,-12.3517,-12.3343,-11.8637,-11.7034,-10.7309,5.0773,5.337999999999999,5.3660000000000005,5.4938,5.9256,D02206_A10BA03,00020000010008800000040010000000000000300000004000000000000001001000000000000000000003100001000001000000000000000000000000000000000030000000000000000000001000000200004000002002a20000000002000000200000040000000000000000000000000c0000000010000000000000000000,0000000000a000,0300c0000000000000000000000000000040000000000000000000000000000000000000402800,000000010004100000b00a0688426e00042044ad01,0,0,25,2,0,6,28,27,-16.77,-10.027999999999999,0,,,+,0.813,-,0.813,https://www.genome.jp/dbget-bin/www_bget?dr:D02206
1089,D00336, Glyburide (USP), Sulfonylureas,A10BB01,ALIMENTARY TRACT AND METABOLISM,c1(c(ccc(c1)Cl)OC)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,494.004,5.8952,126.249,121.98,36,3,8,ZNNLBTZKUZBEKO-UHFFFAOYSA-N,C23H28ClN3O5S,COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",-9.8776,-9.3902,-9.3235,-7.147,-6.5789,-5.8694,2.8578,2.9139999999999997,2.9867,3.5993,3.8706,D00336_A10BB01,6006030000000ca403080620000700042c04009000081080000000c0002000001c0050890000000010872718002000800162020000204002000400020020000208200000010420814100000006980002008c01e000202008c828180080000000043400020000000e0001020008100000000eb102080110210818800910800000,0400000050b041,0200020000000000000080000a0000004041000000040000000020000000000000000240402800,000000801104449e1411c33fe9e631e8b7e8efff1f,0,12,47,4,0,11,61,63,-9.712,-1.4040000000000001,0,0.0,0.867303431,-,1.8001,-,1.8001,https://www.genome.jp/dbget-bin/www_bget?dr:D00336
1090,D00271, Chlorpropamide (JP17/USP/INN), Sulfonylureas,A10BB02,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)S(=O)(=O)NC(=O)NCCC)Cl,276.74,3.6005,65.1594,83.65,18,2,5,RKWGIWYCVPQPMF-UHFFFAOYSA-N,C10H13ClN2O3S,CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",-9.9521,-9.37,-9.3477,-7.1588,-6.6756,-5.8183,2.8360000000000003,2.9122,3.0032,3.6587,3.8806,D00271_A10BB02,600203000000000001000620000400000c040000000000900000000000200000180040080000000000050118002000800060000000004000000000000020000200000000000020804100000004900002008c00e000202000402800000000000000300000000000080000001000000000000eb002000010010012800010800000,0000000000b041,030000000000000000000000000000000040000000040000000020000000000000000240402800,000000801104449e1411c327e9e63608a6204eef1f,0,6,21,3,0,6,30,30,-10.297,-1.723,0,1.0,0.064572565,-,0.2517,-,0.2517,https://www.genome.jp/dbget-bin/www_bget?dr:D00271
1091,D00380, Tolbutamide (JP17/USP/INN), Sulfonylureas,A10BB03,ALIMENTARY TRACT AND METABOLISM,c1(S(=O)(=O)NC(=O)NCCCC)ccc(cc1)C,270.348,3.6456,69.9224,83.65,23,2,5,JLRGJRBPOGGCBT-UHFFFAOYSA-N,C12H18N2O3S,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",-10.0012,-9.3568,-9.354,-7.1418,-6.7145,-5.8277,2.9488,2.9717,3.0044,3.5863,3.8401,D00380_A10BB03,600201000000080001000620000400002c040010000000800000008000000000180040080000000000040518002000800160000000004000000000020020000200000000000020804100000000900000008400e000202000c02800000000000000300000000000080000000008000000000eb102000110010010800010000000,0000000000b041,030000000000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118327a9e23e0886205eef1f,0,6,27,3,0,7,36,36,-10.205,-1.525,0,0.0,0.065679796,-,0.3486,-,0.3486,https://www.genome.jp/dbget-bin/www_bget?dr:D00380
1092,D00380, Tolbutamide (JP17/USP/INN), Tests for diabetes,V04CA01,VARIOUS,c1(S(=O)(=O)NC(=O)NCCCC)ccc(cc1)C,270.348,3.6456,69.9224,83.65,23,2,5,JLRGJRBPOGGCBT-UHFFFAOYSA-N,C12H18N2O3S,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",-9.9972,-9.3591,-9.3582,-7.1269,-6.7063,-5.8556,2.9504,2.9668,3.034,3.5879,3.8391,D00380_V04CA01,600201000000080001000620000400002c040010000000800000008000000000180040080000000000040518002000800160000000004000000000020020000200000000000020804100000000900000008400e000202000c02800000000000000300000000000080000000008000000000eb102000110010010800010000000,0000000000b041,030000000000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118327a9e23e0886205eef1f,0,6,27,3,0,7,36,36,-10.205,-1.525,0,0.0,0.065679796,-,0.3486,-,0.3486,https://www.genome.jp/dbget-bin/www_bget?dr:D00380
1093,D06177," Tolbutamide sodium, sterile", Sulfonylureas,A10BB03,ALIMENTARY TRACT AND METABOLISM,c1(S(=O)(=O)NC(=O)NCCCC)ccc(cc1)C,270.348,3.6456,69.9224,83.65,22,2,5,JLRGJRBPOGGCBT-UHFFFAOYSA-N,C12H18N2O3S,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",-9.9542,-9.3801,-9.3354,-7.1664,-6.6652,-5.8425,2.8396,2.9176,3.0109,3.6677,3.8825,D06177_A10BB03,600201000000080001000620000400002c040010000000800000008000000000180040080000000000040518002000800160000000004000000000020020000200000000000020804100000000900000008400e000202000c02800000000000000300000000000080000000008000000000eb102000110010010800010000000,0000000000b041,030000000000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118327a9e23e0886205eef1f,0,6,27,3,0,7,36,36,-10.591,-7.867000000000001,0,2.0,0.021848247,-,0.2945,-,0.2945,https://www.genome.jp/dbget-bin/www_bget?dr:D06177
1094,D06177," Tolbutamide sodium, sterile", Tests for diabetes,V04CA01,VARIOUS,c1(S(=O)(=O)NC(=O)NCCCC)ccc(cc1)C,270.348,3.6456,69.9224,83.65,22,2,5,JLRGJRBPOGGCBT-UHFFFAOYSA-N,C12H18N2O3S,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",-9.9419,-9.3798,-9.3345,-7.1477,-6.6716,-5.8422,2.8373,2.9122,2.9975,3.648,3.8689999999999998,D06177_V04CA01,600201000000080001000620000400002c040010000000800000008000000000180040080000000000040518002000800160000000004000000000020020000200000000000020804100000000900000008400e000202000c02800000000000000300000000000080000000008000000000eb102000110010010800010000000,0000000000b041,030000000000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118327a9e23e0886205eef1f,0,6,27,3,0,7,36,36,-10.591,-7.867000000000001,0,2.0,0.021848247,-,0.2945,-,0.2945,https://www.genome.jp/dbget-bin/www_bget?dr:D06177
1095,D02427, Glibornuride (USAN/INN), Sulfonylureas,A10BB04,ALIMENTARY TRACT AND METABOLISM,C1([C@@H]2[C@@H](NC(=O)NS(=O)(=O)c3ccc(cc3)C)[C@H]([C@]1(CC2)C)O)(C)C,366.475,4.0311,95.1782,103.88,32,3,6,RMTYNAPTNBJHQI-LUXYFRNMSA-N,C18H26N2O4S,Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1C(O)C2(C(C1CC2)(C)C)C,"InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)/t13-,14+,15+,18+/m0/s1",-10.0266,-9.363,-9.3606,-7.1492,-6.697,-5.8092,2.96,2.9726,2.9775,3.5672,3.8587,D02427_A10BB04,6002010000000a0001000621000400002c040010000000800000008000000000180050080000000310040518002000800160000000204002000000020020002208000800000020804100800100900000008401e000202000c02800000000000000300000000000080000000088000800000eb102000150010050800110000000,0000002c00b041,0f2800000000000000000000000000000040000000000000000020000000000000008240402804,000000801104649e161381e721ab3c48967cfffa1f,0,6,44,3,0,5,51,53,-9.967,-1.227,4,-1.0,0.125291005,-,1.8835,-,1.8835,https://www.genome.jp/dbget-bin/www_bget?dr:D02427
1096,D00379, Tolazamide (JP17/USP/INN), Sulfonylureas,A10BB05,ALIMENTARY TRACT AND METABOLISM,c1(ccc(cc1)C)S(=O)(=O)NC(=O)N[NH+]1CCCCCC1,312.408,3.7886,85.1961,88.09,27,3,5,OUDSBRTVNLOZBN-UHFFFAOYSA-O,C14H22N3O3S+,O=C(NS(=O)(=O)c1ccc(cc1)C)N[NH+]1CCCCCC1,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)/p+1",-9.9495,-9.3981,-9.3267,-7.1364,-5.8023,-4.7179,2.8584,2.9342,2.9618,2.9905,3.8224,D00379_A10BB05,68a201000000004002000e20000400012c000010000000000000008000002040180050080040004010040118002000800162008000204004000000020020000200000000800020a04100200002800100008001e008207000c06800000000000002100020000000000000000008000000000eb10200011001001080011c000000,0100000000f041,030000000000000000000000000000000040000000000000000020000000000000000640c02a00,0000048011046d9e1c55a367a9e2308b97234eeb1f,0,6,35,3,0,5,43,44,-12.808,-5.0489999999999995,0,,0.002076904,-,0.6697,-,0.6697,https://www.genome.jp/dbget-bin/www_bget?dr:D00379
1097,D02425, Carbutamide (INN), Sulfonylureas,A10BB06,ALIMENTARY TRACT AND METABOLISM,c1(S(=O)(=O)NC(=O)NCCCC)ccc(cc1)N,271.336,3.5006,69.3608,109.67,23,3,6,VDTNNGKXZGSZIP-UHFFFAOYSA-N,C11H17N3O3S,CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",-10.0168,-9.3593,-9.3527,-7.1288,-6.6807,-5.8395,2.9504,2.9776,2.9833,3.5697,3.8428,D02425_A10BB06,600201000000080001000620000400004c040010000000800000000000000000180040080000002000040518002000c00160000000004000000000000020000200000000400020804100000000900000008400e004202000c02800000000000000300000000000080000000010000000000eb002000010010030800012000000,0000000000b061,030040080000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118b27a9e23e08d6204eef1f,0,6,26,3,0,7,35,35,-9.487,-1.324,0,,0.025832549,-,0.3574,-,0.3574,https://www.genome.jp/dbget-bin/www_bget?dr:D02425
1098,D00335, Glipizide (USP/INN), Sulfonylureas,A10BB07,ALIMENTARY TRACT AND METABOLISM,c1(ccc(cc1)CCNC(=O)c1cnc(cn1)C)S(=O)(=O)NC(=O)NC1CCCCC1,445.535,4.3316,115.303,138.53,36,3,9,ZJJXGWJIGJFDTL-UHFFFAOYSA-N,C21H27N5O4S,Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",-9.9216,-9.3528,-9.3508,-7.1589,-6.6723,-5.8018,2.8416,2.9083,2.9922,3.6333,3.8635,D00335_A10BB07,60060180000008a003080620040400042c0400900000008800000080000014001801508900400021108e2518002000800162000000204002020000020020020a040104008004a2804100100802900000008401e000202909d0280800800000100530000000c000080000100048000004100eb112000910010010800112000010,0400000000b041,0300000000000000000080000a0000004040000000009000000020000000000000000640402800,000000801104449e15d1836fabe2b08997294fef1f,0,12,44,4,0,10,58,60,-10.118,-1.445,0,,0.495063484,-,1.9636,-,1.9636,https://www.genome.jp/dbget-bin/www_bget?dr:D00335
1099,D02430, Gliquidone (INN), Sulfonylureas,A10BB08,ALIMENTARY TRACT AND METABOLISM,c1(ccc(cc1)CCN1C(=O)c2c(ccc(c2)OC)C(C1=O)(C)C)S(=O)(=O)NC(=O)NC1CCCCC1,527.632,5.319,142.60399999999998,130.26,42,2,9,LLJFMFZYVVLQKT-UHFFFAOYSA-N,C27H33N3O6S,COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",-10.077,-9.3289,-9.3169,-7.1472,-6.6934,-5.8259,2.9427,2.9584,2.9642,3.5528,3.8819,D02430_A10BB08,6026010000200ca003000620000700042c04009000401280000100c0000000001c8054890040000050862718002082800162020000204802200000021022000208000020814420c14100200082980001009401e000202008c028080080000000043000020000040a0080000028100000000eb112080190210818804518000000,0400000050b041,0b0002000000000000008000400000000041000000000000000020000000000000004640402800,000000801104449e1617913fbbeb31eb97f9ffff1f,0,12,56,5,0,9,70,73,-9.747,-1.3430000000000002,0,1.0,0.81895107,-,2.7583,-,2.7583,https://www.genome.jp/dbget-bin/www_bget?dr:D02430
1100,D01599, Gliclazide (JP17/INN), Sulfonylureas,A10BB09,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(c1ccc(cc1)C)NC(=O)N[N@@H+]1C[C@@H]2[C@H](C1)CCC2,324.418,3.6445,87.8891,88.09,27,3,5,BOVGTQGAOIONJV-BETUJISGSA-O,C15H22N3O3S+,O=C(N[NH+]1CC2C(C1)CCC2)NS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/p+1/t12-,13+",-9.9662,-9.3809,-9.3503,-7.1339,-5.8137,-4.7132,2.8616,2.963,2.9944,3.01,3.8182,D01599_A10BB09,68a201000000024002000e21000400012c000010000000000000008000002040180050080040004010040118002000800162000000204004000000020020000200000000800020a04100200002800100008001e008207000c06800000000000002100020000000001000000008000000000eb10200011001001080011c000000,0100000000f041,070000000000000000000000000000000040000000000000000020000000000000004640c02a04,0000008011046d9e1c55a7e7b9e3308b97234eeb1f,0,6,37,3,0,5,44,46,-12.889000000000001,-5.055,2,,0.0014815779999999999,-,1.1174,-,1.1174,https://www.genome.jp/dbget-bin/www_bget?dr:D01599
1101,D07117, Metahexamide (INN), Sulfonylureas,A10BB10,ALIMENTARY TRACT AND METABOLISM,c1(c(cc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)N)C,311.4,4.3416,81.8268,109.67,27,3,6,XXYTXQGCRQLRHA-UHFFFAOYSA-N,C14H21N3O3S,O=C(NS(=O)(=O)c1ccc(c(c1)N)C)NC1CCCCC1,"InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)",-9.9604,-9.3633,-9.3567,-7.1602,-6.6905,-5.8241,2.8323,2.9163,3.0131,3.6749,3.8926,D07117_A10BB10,600201000000080001000620000400002c040010000000800000008000000000180050080000002010240518002000c00160000000204002000000020020000200020000400122804100000000900000008401e004202000c02800000000000000300000000000080000020008020000000eb102000110010010800112000000,0000000000b061,030040080000000000000000000000000040000000000000000020000000000000000240402800,000000801104449e14118927a1e23088d7a06fea1f,0,6,34,3,0,5,42,43,-9.078,-1.4,0,0.0,0.118293077,-,0.9868,-,0.9868,https://www.genome.jp/dbget-bin/www_bget?dr:D07117
1102,D07118, Glisoxepide (INN), Sulfonylureas,A10BB11,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)S(=O)(=O)NC(=O)N[NH+]1CCCCCC1)CCNC(=O)c1cc(on1)C,450.532,4.14,117.54700000000001,143.22,36,4,9,ZKUDBRCEOBOWLF-UHFFFAOYSA-O,C20H28N5O5S+,Cc1onc(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[NH+]1CCCCCC1,"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)/p+1",-9.9762,-9.3627,-9.3614,-7.1365,-5.7993,-5.4376,2.8654,2.9331,2.9686,2.9907,3.8301,D07118_A10BB11,68a60140000000e003000e22040500052d10409820008008000000c0000020409c0058a9004280401486251800208080016210810020400600040202002200020e000408800420f04110200042800100008001e008207108c06808008001020006300020000000100000100008040000000eb12200011a01005080019c000000,0500000000f041,0300000000000000000080000a000000004100000000b000000020000000000000000640c03a00,0000048011046d9f5d55a7efa9e2b08b972bceef1f,0,11,46,4,0,10,59,61,-11.557,-4.986000000000001,0,3.0,0.035609506,+,1.9688,-,1.9688,https://www.genome.jp/dbget-bin/www_bget?dr:D07118
1103,D00593, Glimepiride (JP17/USP/INN), Sulfonylureas,A10BB12,ALIMENTARY TRACT AND METABOLISM,N1(C(=O)C(=C(C1)C)CC)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]1CC[C@H](CC1)C,490.616,5.2654,133.306,133.06,43,3,9,WIGIZIANZCJQQY-UWUNEBHHSA-N,C24H34N4O5S,CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)C,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19+",-9.9692,-9.3717,-9.3187,-7.1339999999999995,-6.6579999999999995,-5.8933,2.8445,2.9156,3.0089,3.6681,3.8877,D00593_A10BB12,6026010000000a0c03000620000400042c050010000040800000008800000100180050890080000010072518002102800162000040204102000500020820002200000000000020804100010002910004009401e000202008c02818010000000104340020040000080000000848000000000eb102000110010090800110000000,0400000000b041,170000000000000000008000000000000041040000000000000020000000000000000640407804,000000801104469e141d97afadea3ecb977b7fef1f,0,6,58,6,0,11,68,70,-10.164,-1.4669999999999999,0,,0.518782675,-,2.5439,-,2.5439,https://www.genome.jp/dbget-bin/www_bget?dr:D00593
1104,D00219, Acetohexamide (JP17/USP/INN), Sulfonylureas,A10BB31,ALIMENTARY TRACT AND METABOLISM,c1c(ccc(c1)S(=O)(=O)NC(=O)NC1CCCCC1)C(=O)C,324.395,4.0724,82.6509,100.72,26,2,6,VGZSUPCWNCWDAN-UHFFFAOYSA-N,C15H20N2O4S,O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",-9.9825,-9.3729,-9.3534,-7.1527,-6.6941,-5.8334,2.8253,2.9215,3.008,3.6894,3.8963,D00219_A10BB31,600601000000088003000620000400002c0400100000008000000080000000001c0050080000000010060718002000800160000000204002010000020020000200000000000020804100000000900000008401e000202008c02808000000000000300000000000080000000008000000000eb102000110010018800110000000,1400000000b041,030000000000010000000000000000000041000000000000000020000000000000000240402801,000000801104449e14118127a1e230889728cfea1f,0,6,33,4,0,6,42,43,-10.249,-1.73,0,-1.0,0.129703164,-,1.1437,-,1.1437,https://www.genome.jp/dbget-bin/www_bget?dr:D00219
1105,D01356, Glymidine sodium (JAN/USAN/INN), Sulfonamides (heterocyclic),A10BC01,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)S(=O)(=O)Nc1ncc(cn1)OCCOC,309.341,2.4564,76.3367,98.79,21,1,7,QFWPJPIVLCBXFJ-UHFFFAOYSA-N,C13H15N3O4S,COCCOc1cnc(nc1)NS(=O)(=O)c1ccccc1,"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",-9.4164,-9.3464,-9.3449,-6.4175,-5.4823,-5.4757,2.7399,2.8322,2.8923,2.946,3.9741,D01356_A10BC01,e00001000000004000004620080600000c00000500020000000200000008100008004008440880240010200e00000080016020000200400000000000002004000c002c0004002081010000080000000000800460042000004008000000210000000000000020000104400004020000000006b000000000410800880012000004,0000000070b001,008002000000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e9591a1702392bd69da6bcffd1f,0,12,23,2,0,7,36,37,-10.234,-6.827000000000001,0,-1.0,0.01840617,+,0.4672,-,0.4672,https://www.genome.jp/dbget-bin/www_bget?dr:D01356
1106,D00216, Acarbose (JAN/USAN/INN), Alpha glucosidase inhibitors,A10BF01,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@@H]([C@H]([C@H](C=C1CO)[NH2+][C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)CO)O)O)O)O)O,646.613,-9.5907,137.947,325.75,62,14,18,XUFXOAAUWZOOIT-SXARVLRPSA-O,C25H44NO18+,OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)[NH2+]C1C=C(CO)C(C(C1O)O)O)O)O,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/p+1/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1",-5.7042,-5.6498,-5.5586,-4.2941,-3.8653,-3.1896,2.3726,2.3842,2.4402,2.5222,3.3313,D00216_A10BF01,002a00020000a2040000040002020000210000b400424800008c000001140010100010088080001710000010200010000122000010a0c111200100004000803008912b000c1428000000810202010200008001c000022000a800100100202000420400280038100000000000c000388000058180001810000080008150000000,0100003c30e001,11384001040180410000000000000000000000000000000000000000000000000000043fc02204,000000000000330180080a47071080641c4fe3fd1d,0,0,90,1,0,9,88,91,-11.29,-4.266,19,0.0,1.2045100000000001e-06,+,2.9423,-,2.9423,https://www.genome.jp/dbget-bin/www_bget?dr:D00216
1107,D00625, Miglitol (JP17/USAN/INN), Alpha glucosidase inhibitors,A10BF02,ALIMENTARY TRACT AND METABOLISM,[N@H+]1([C@@H]([C@H]([C@@H]([C@H](C1)O)O)O)CO)CCO,208.232,-3.11,52.0387,105.59,23,6,5,IBAQFPQHRJAVAV-ULAWRXDQSA-O,C8H18NO5+,OCC[NH+]1CC(O)C(C(C1CO)O)O,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/p+1/t5-,6+,7-,8-/m1/s1",-5.971,-4.6036,-4.5405,-4.5343,-2.06,-2.0434,2.2862,2.3015,2.4802,2.5092,3.3135,D00625_A10BF02,000a00000000000000000400000000000000001000000000000000000100000010001000800000071000001000000000010200000020c001000000000000001008000800000028000000800202000000000001500000200080000000000000000000002000000000000000008000380000040000000010000000000100000000,0100003c00e001,003840020401000000000000000000000000000000000000000000000000000000000400c02204,0000000000003100800432478b5020c30d4fee7d1d,0,0,32,0,0,3,32,32,-14.667,-4.571000000000001,5,,2.3931700000000002e-06,-,0.5543,-,0.5543,https://www.genome.jp/dbget-bin/www_bget?dr:D00625
1108,D01665, Voglibose (JP17/USAN/INN), Alpha glucosidase inhibitors,A10BF03,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@@H]([C@H]([C@H](C[C@@]1(CO)O)[NH2+]C(CO)CO)O)O)O,268.284,-5.5186,60.3,158.22,29,8,7,FZNCGRZWXLXZSZ-CIQUZCHMSA-O,C10H22NO7+,OCC([NH2+]C1CC(O)(CO)C(C(C1O)O)O)CO,"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/p+1/t6-,7-,8+,9-,10-/m0/s1",-5.6828,-5.6648,-4.3348,-4.327,-2.0421,-2.0401,2.4219,2.4391,2.4492,3.0967,3.239,D01665_A10BF03,000a00000000020000000400000000000000001000000000000000000100000010001000800000071000001000000000010200000020c003000000000000001008000800000028000000800302000000000001400000200080000000000000000000002000000000000000008000380000040000000010000000000100000000,0100007c00e001,027840010401000000000000000000000000000000000000000000000000000000000000c02204,000000000000310082000a4781d000c01c4ee27d1d,0,0,40,0,0,5,40,40,-14.038,-4.163,5,2.0,1.51899e-06,-,0.4609,-,0.4609,https://www.genome.jp/dbget-bin/www_bget?dr:D01665
1109,D00395, Troglitazone (JAN/USAN/INN), Thiazolidinediones,A10BG01,ALIMENTARY TRACT AND METABOLISM,c1(c(c(c2c(c1C)O[C@](CC2)(COc1ccc(cc1)C[C@@H]1C(=O)NC(=O)S1)C)C)O)C,441.54,4.703,125.54899999999999,110.16,34,2,7,GXPHKUHSUJUWKP-NTKDMRAZSA-N,C24H27NO5S,O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C,"InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1",-5.2213,-4.0048,-3.8133,-2.9478,-2.596,-2.3528,1.4622,1.5731,1.7574,1.765,2.0006,D00395_A10BG01,00060183104000001b400600000300004000801400001a00210000c0000800001800400a404100050406041808010200010302000a004800008200221004800408200c002100201180002c0002a08104409b004001003008c1480903102940000002000000100402000800c201100900040711000a4310201813004300000004,0400000452b101,030002000000000000008000000000000040000000010000000000000000000000004600402804,00000000084000018200858f12bbbd618dddf7ff1f,0,12,47,2,0,5,58,61,-8.633,-0.631,2,0.0,0.952436686,-,1.8330000000000002,-,1.8330000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D00395
1110,D08491, Rosiglitazone (INN), Thiazolidinediones,A10BG02,ALIMENTARY TRACT AND METABOLISM,[C@H]1(Cc2ccc(cc2)OCCN(c2ccccn2)C)SC(=O)NC1=O,357.42699999999996,2.8197,101.634,96.83,26,1,7,YASAKCUCGLMORW-OAHLLOKOSA-N,C18H19N3O3S,O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m1/s1",-5.1594,-4.0337,-3.8149,-3.5456,-3.0634,-3.0158,1.5755,1.7564,1.7661,2.0048,2.7087,D08491_A10BG02,00060183105000001b08060008820000c000001480001208200000800008000018006002000980320486041c080112400101a2000800200800420002100404040c000c000110000100000c0002b881040093004005003408c1480923000840000000000000000402000800008010050006061100087310202813000002600004,0400000050b121,020002000000000000008000000000010040000000009000000000000000000000000600402804,00000000284000000110b5df0a72bd63d863efff1f,0,12,32,2,0,7,44,46,-8.686,-0.639,1,0.0,0.42797386600000004,-,1.2034,-,1.2034,https://www.genome.jp/dbget-bin/www_bget?dr:D08491
1111,D00596, Rosiglitazone maleate (JAN/USAN), Thiazolidinediones,A10BG02,ALIMENTARY TRACT AND METABOLISM,[C@H]1(Cc2ccc(cc2)OCCN(c2ccccn2)C)SC(=O)NC1=O,357.42699999999996,2.8197,101.634,96.83,26,1,7,YASAKCUCGLMORW-OAHLLOKOSA-N,C18H19N3O3S,O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m1/s1",-5.2404,-3.9993,-3.8151,-3.5213,-3.0461,-3.0075,1.5787,1.7587,1.7716,1.9977,2.6839999999999997,D00596_A10BG02,00060183105000001b08060008820000c000001480001208200000800008000018006002000980320486041c080112400101a2000800200800420002100404040c000c000110000100000c0002b881040093004005003408c1480923000840000000000000000402000800008010050006061100087310202813000002600004,0400000050b121,020002000000000000008000000000010040000000009000000000000000000000000600402804,00000000284000000110b5df0a72bd63d863efff1f,0,12,32,2,0,7,44,46,-8.686,-0.64,1,1.0,0.427879274,-,1.2034,-,1.2034,https://www.genome.jp/dbget-bin/www_bget?dr:D00596
1112,D08378, Pioglitazone (INN), Thiazolidinediones,A10BG03,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(Cc2ccc(cc2)OCCc2ccc(cn2)CC)C(=O)NC(=O)S1,356.439,3.4884,102.166,93.59,26,1,6,HYAFETHFCAUJAY-QGZVFWFLSA-N,C19H20N2O3S,CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1",-5.1186,-4.0423,-3.8173,-2.9608,-2.5922,-2.3369999999999997,1.466,1.5671,1.7504,1.7691,2.0041,D08378_A10BG03,000601a3104040001b0006000402400040000014400012082000008000080400180040020001802104860418080102440101020008042004040200021004000c0c200c020100060100000c0082a88104009b806005803008d148090300094000400000000020040200080002e01005001406111008531020085300000a120004,0400000050b101,030002000000000000008000000000000040000000009000000000000000000000000600402804,00000000084000000100858f0372b3618861e7ff1f,0,12,33,2,0,7,45,47,-9.495,-0.6,1,-1.0,0.789610803,-,1.1263,-,1.1263,https://www.genome.jp/dbget-bin/www_bget?dr:D08378
1113,D00945, Pioglitazone hydrochloride (JP17/USP), Thiazolidinediones,A10BG03,ALIMENTARY TRACT AND METABOLISM,[C@@H]1(Cc2ccc(cc2)OCCc2ccc(cn2)CC)C(=O)NC(=O)S1,356.439,3.4884,102.166,93.59,26,1,6,HYAFETHFCAUJAY-QGZVFWFLSA-N,C19H20N2O3S,CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1",-5.1086,-4.0451,-3.8019,-2.9569,-2.3680000000000003,-1.8459,1.4638,1.5749,1.7558,1.7666,2.0194,D00945_A10BG03,000601a3104040001b0006000402400040000014400012082000008000080400180040020001802104860418080102440101020008042004040200021004000c0c200c020100060100000c0082a88104009b806005803008d148090300094000400000000020040200080002e01005001406111008531020085300000a120004,0400000050b101,030002000000000000008000000000000040000000009000000000000000000000000600402804,00000000084000000100858f0372b3618861e7ff1f,0,12,33,2,0,7,45,47,-9.493,-0.601,1,1.0,0.78958714,-,1.1263,-,1.1263,https://www.genome.jp/dbget-bin/www_bget?dr:D00945
1114,D08516, Sitagliptin (Prop.INN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH01,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1F)C[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[NH3+])F)F,408.32199999999995,1.2376,88.5101,78.66,20,1,5,MFFMDFFZMYYVKS-SECBINFHSA-O,C16H16F6N5O+,O=C(N1CCn2c(C1)nnc2C(F)(F)F)CC(Cc1cc(F)c(cc1F)F)[NH3+],"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/p+1/t9-/m1/s1",-5.3789,-5.3738,-5.3096,-4.3349,-4.331,-4.3145,1.7418,1.7583,1.7666,1.9262,2.3631,D08516_A10BH01,000e400080002084138006000440340c01100290000040c0000400c01000010018045083010000210026233803010000011ab60000004000a200000200d200010c20080000080200001020040690000c009801d420013108e02919000009100001240028000880081600100000061001000e0102022110400824000140000100,0500000000f001,0201c0000400000000008000120000000000000000089800000000000000000000004600e03a05,000000002002090001d474a89be7b08b29a36d2f1f,6,11,34,1,0,6,44,46,-12.92,-4.271,1,0.0,0.002592499,+,1.2719,-,1.2719,https://www.genome.jp/dbget-bin/www_bget?dr:D08516
1115,D06645, Sitagliptin phosphate (USAN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH01,ALIMENTARY TRACT AND METABOLISM,c1(cc(c(cc1F)C[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[NH3+])F)F,408.32199999999995,1.2376,88.5101,78.66,20,1,5,MFFMDFFZMYYVKS-SECBINFHSA-O,C16H16F6N5O+,O=C(N1CCn2c(C1)nnc2C(F)(F)F)CC(Cc1cc(F)c(cc1F)F)[NH3+],"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/p+1/t9-/m1/s1",-5.3839,-5.3728,-5.3178,-4.3361,-4.3339,-4.3156,1.7379,1.7545,1.7723,1.956,2.3671,D06645_A10BH01,000e400080002084138006000440340c01100290000040c0000400c01000010018045083010000210026233803010000011ab60000004000a200000200d200010c20080000080200001020040690000c009801d420013108e02919000009100001240028000880081600100000061001000e0102022110400824000140000100,0500000000f001,0201c0000400000000008000120000000000000000089800000000000000000000004600e03a05,000000002002090001d474a89be7b08b29a36d2f1f,6,11,34,1,0,6,44,46,-12.919,-4.268,1,1.0,0.002591832,+,1.2719,-,1.2719,https://www.genome.jp/dbget-bin/www_bget?dr:D06645
1116,D07080, Vildagliptin (JAN/USAN/INN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH02,ALIMENTARY TRACT AND METABOLISM,[C@]12(C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)[NH2+]CC(=O)N1CCC[C@@H]1C#N,304.407,0.08598,87.4342,80.94,30,2,4,SYOKIDBDQMKNDQ-SSOQLKFYSA-O,C17H26N3O2+,N#CC1CCCN1C(=O)C[NH2+]C12CC3CC(C1)CC(C2)(C3)O,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/p+1/t12-,13+,14-,16+,17-/m1/s1",-5.6824,-5.6813,-4.8372,-4.3829,-3.9434,-3.7829,1.8151,1.8207,2.2794,2.366,2.8198,D07080_A10BH02,800300000040020001000400000000080000001000010000000000000100000018001002810400031006043000000000010200000020c002000000000000400008000800000000800020800102800002002001400000200080000000000000000000002000000000100000000000080000040004000010000010000100000000,0500004c00e011,064840010400000000008000120000001000000000000000000000000000000000008400c02a04,000000000001110002441ecc99e130c31d67ed7f1d,0,0,49,1,1,4,48,51,-13.552999999999999,-4.1819999999999995,3,-1.0,,-,1.1156,-,1.1156,https://www.genome.jp/dbget-bin/www_bget?dr:D07080
1117,D08996, Saxagliptin (INN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH03,ALIMENTARY TRACT AND METABOLISM,[C@]12(C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)[C@@H](C(=O)N1[C@@H]2[C@H](C[C@H]1C#N)C2)[NH3+],316.418,0.37908000000000003,89.7349,91.97,30,2,4,QGJUIPDUBHWZPV-YQBUGCKMSA-O,C18H26N3O2+,N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)[NH3+])C2,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/p+1/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1",-5.388,-5.3784,-5.3574,-4.5345,-3.7815,-3.0317,1.7425,1.7588,1.7874,1.8265,2.5865,D08996_A10BH03,802300000000020001000400000000080000001000010000000000000000000018001002010400031006043000000000010200000020400200000000000040000800080000000000000080012a800004003001500000200080000000000000000000002000000000100000000000180000040000000010000010000100000100,0500004c00e011,0e48c000040000000000800012000000100000000000000000000000000000000000c400c02a04,0000200000010100024414ce92e110c30d65e97a1d,0,0,51,1,1,3,49,53,-13.383,-4.221,6,-1.0,0.000121111,-,2.2542,-,2.2542,https://www.genome.jp/dbget-bin/www_bget?dr:D08996
1118,D09753, Saxagliptin hydrate (JAN/USAN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH03,ALIMENTARY TRACT AND METABOLISM,[C@]12(C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)[C@@H](C(=O)N1[C@@H]2[C@H](C[C@H]1C#N)C2)[NH3+],316.418,0.37908000000000003,89.7349,91.97,30,2,4,QGJUIPDUBHWZPV-YQBUGCKMSA-O,C18H26N3O2+,N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)[NH3+])C2,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/p+1/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1",-5.3882,-5.3747,-5.3599,-4.5466,-3.7777,-3.031,1.7466,1.7536,1.7907,1.8299,2.611,D09753_A10BH03,802300000000020001000400000000080000001000010000000000000000000018001002010400031006043000000000010200000020400200000000000040000800080000000000000080012a800004003001500000200080000000000000000000002000000000100000000000180000040000000010000010000100000100,0500004c00e011,0e48c000040000000000800012000000100000000000000000000000000000000000c400c02a04,0000200000010100024414ce92e110c30d65e97a1d,0,0,51,1,1,3,49,53,-13.38,-4.221,6,-2.0,0.000120954,-,2.2542,-,2.2542,https://www.genome.jp/dbget-bin/www_bget?dr:D09753
1119,D06553, Alogliptin benzoate (JAN/USAN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH04,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1C#N)Cn1c(=O)n(c(=O)cc1N1CCC[C@H](C1)[NH3+])C,340.4,-0.25732,100.102,98.67,26,1,6,ZSBOMTDTBDDKMP-OAHLLOKOSA-O,C18H22N5O2+,N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCCC(C1)[NH3+],"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/p+1/t15-/m1/s1",-5.3921,-5.3565,-5.3454,-4.601,-4.1415,-4.1178,1.7958,1.8017,2.2995,2.3543,2.5266,D06553_A10BH04,c002004200100c40080446001840000da000041040800022000000c00600044010007083c54480210080043a00001080010220000000c00000c000024000cc0004040c02800022000000e00002980004009003500c00200ce00a808010013016001810000090000042600000200008200007091a600110000002810106000100,0100000000f031,0200c00004000000000080002000000050420400000089000000000000000000000006c0c02204,000000003001012001d4301f8b6ab1c3d1e36def1f,0,12,34,2,1,3,47,49,-11.634,-4.496,1,1.0,0.000150222,-,1.2701,-,1.2701,https://www.genome.jp/dbget-bin/www_bget?dr:D06553
1120,D09566, Linagliptin (JAN/USAN/INN), Dipeptidyl peptidase 4 (DPP-4) inhibitors,A10BH05,ALIMENTARY TRACT AND METABOLISM,c1ccc2c(c1)nc(nc2C)Cn1c(=O)n(c2c(c1=O)n(c(n2)N1C[C@@H](CCC1)[NH3+])CC#CC)C,473.55,0.4956,140.585,118.48,35,1,9,LTXREWYXXSTFRX-QGZVFWFLSA-O,C25H29N8O2+,CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCCC(C1)[NH3+],"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/p+1/t17-/m1/s1",-5.3704,-5.3688,-5.3675,-4.7860000000000005,-4.59,-4.1306,1.8832,2.0058,2.3267,2.6441,2.7619,D09566_A10BH05,a04a0080021008c0005a46001c40000900100c1000000062080020c00000145094017002c15888616800007e000100c00102a0000000600000c008020000a0000c000c12c0003a0000a0d00002900004009803500c80210de00800b0100160860108100000b2000002c0000060214c800007059260213800001880012e020100,0100000000f021,2300c0000400000000008000200000004042040000009900000000000000000000004640c03204,000001013000012001d434df9b6bb9c3d1f37def1f,0,21,44,2,1,4,64,68,-10.435,-4.373,1,1.0,0.012560436000000001,-,3.1918,-,3.1918,https://www.genome.jp/dbget-bin/www_bget?dr:D09566
1121,D00594, Repaglinide (JAN/USP/INN)," Other blood glucose lowering drugs, excl. insulins",A10BX02,ALIMENTARY TRACT AND METABOLISM,c1(c([C@@H](NC(=O)Cc2cc(c(cc2)C(=O)O)OCC)CC(C)C)cccc1)N1CCCCC1,452.586,5.6758,135.446,78.87,41,2,6,FAEKWTJYAYMJKF-QHCPKHFHSA-N,C27H36N2O4,CCOc1cc(ccc1C(=O)O)CC(=O)NC(c1ccccc1N1CCCCC1)CC(C)C,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",-4.4194,-4.2837,-4.2344,-3.8641,-3.8358,-3.1049,1.4805,2.1105,2.237,2.3636,2.3966,D00594_A10BX02,00260060806004e003000600008308048010019000080000000000c0000000001c00508100000020208e2618000110c0010282000800080802800003008004000a2008004105024180002020028880032098015004003008c00808208009000000180022000000034060128000100020000605400a0110200818804302400004,0400000c50b023,0700420001000000000088000a0000004001000000000000000000000000000000000640402804,0000000000000020008630098a7037e7ddffffff1f,0,12,57,2,0,11,69,71,-4.5569999999999995,1.7619999999999998,1,,0.040939823,+,1.6794,-,1.6794,https://www.genome.jp/dbget-bin/www_bget?dr:D00594
1122,D01111, Nateglinide (JP17/USAN/INN)," Other blood glucose lowering drugs, excl. insulins",A10BX03,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C[C@H](C(=O)O)NC(=O)[C@H]1CCC[C@@H](C1)C(C)C,317.423,3.6518,91.7515,66.4,30,2,4,CZCVBLROPSHDRZ-YESZJQIVSA-N,C19H27NO3,OC(=O)C(Cc1ccccc1)NC(=O)C1CCCC(C1)C(C)C,"InChI=1S/C19H27NO3/c1-13(2)15-9-6-10-16(12-15)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17+/m0/s1",-4.5193,-4.4575,-4.3261,-3.8209,-3.8034,-2.8114,1.6601,2.2239,2.3648,2.4546,2.6155,D01111_A10BX03,00260000004002200300060000000004000000100000000000000080000800001800508140000003100e201800010000010200000820400200000002000000100800080000000880000000000a80000600b0014000003008c0080800800800000400002000000000000000008000000000060100000110000050000100000100,0400000c00b003,0700000000000000000088000a0000000000000000000000000000000000000000000200402804,00000000000020000002004e80683884850457fe1f,0,6,43,2,0,7,50,51,-4.436,3.069,3,0.0,0.000243567,-,1.0759999999999998,-,1.0759999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D01111
1123,D07192, Benfluorex (INN/BAN)," Other blood glucose lowering drugs, excl. insulins",A10BX06,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(=O)OCC[NH2+][C@@H](Cc1cccc(c1)C(F)(F)F)C,352.371,3.0568,90.4979,42.91,23,1,2,CJAVTWRYCDNHSM-CQSZACIVSA-O,C19H21F3NO2+,O=C(c1ccccc1)OCC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3/p+1/t14-/m1/s1",-5.6948,-5.6694,-4.3614,-4.3594,-4.2862,-4.1891,1.5621,1.5692,1.73,1.8275,1.8967,D07192_A10BX06,00060000000010c00200060000020004010000900000080000200080000400001400408100000013200a2218000100000102000000000000000000020000061008000802081008000000010102800000028000400010300850080800800900000000000000040000004000009110000000060180000310000008010000000000,0500000030f005,030140010400000000009000000000000001000000000000000000000000000000000240e02204,000000000002010000000a4088de2ca4290245ff1f,3,12,34,1,0,9,46,47,-12.555,-4.341,1,1.0,0.023062568,-,1.0366,-,1.0366,https://www.genome.jp/dbget-bin/www_bget?dr:D07192
1124,D07508, Benfluorex hydrochloride," Other blood glucose lowering drugs, excl. insulins",A10BX06,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)C(=O)OCC[NH2+][C@@H](Cc1cccc(c1)C(F)(F)F)C,352.371,3.0568,90.4979,42.91,23,1,2,CJAVTWRYCDNHSM-CQSZACIVSA-O,C19H21F3NO2+,O=C(c1ccccc1)OCC[NH2+]C(Cc1cccc(c1)C(F)(F)F)C,"InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3/p+1/t14-/m1/s1",-5.6832,-5.6733,-4.3723,-4.3721,-4.2281,-4.197,1.567,1.5723,1.7636,1.8472,1.8509,D07508_A10BX06,00060000000010c00200060000020004010000900000080000200080000400001400408100000013200a2218000100000102000000000000000000020000061008000802081008000000010102800000028000400010300850080800800900000000000000040000004000009110000000060180000310000008010000000000,0500000030f005,030140010400000000009000000000000001000000000000000000000000000000000240e02204,000000000002010000000a4088de2ca4290245ff1f,3,12,34,1,0,9,46,47,-12.552999999999999,-4.342,1,1.0,0.023054821,-,1.0366,-,1.0366,https://www.genome.jp/dbget-bin/www_bget?dr:D07508
1125,D01854, Mitiglinide calcium hydrate (JP17)," Other blood glucose lowering drugs, excl. insulins",A10BX08,ALIMENTARY TRACT AND METABOLISM,N1(C(=O)C[C@@H](C(=O)O)Cc2ccccc2)C[C@@H]2[C@H](C1)CCCC2,315.407,2.9065,93.6468,57.61,28,1,4,WPGGHFDDFPHPOB-BBWFWOEESA-N,C19H25NO3,O=C(N1CC2C(C1)CCCC2)CC(C(=O)O)Cc1ccccc1,"InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1",-4.5608,-4.4461,-3.9214,-3.7961,-1.963,-1.9513,1.2495,1.7001,1.7537,2.3581,2.3707,D01854_A10BX08,002ec000000002000300060002000000000000100000000000000080000800001800500040000001100e04180001000001020000082040020000000200000000080008000000000000002000028000040090014000003008c0080800000810000000002000000000100000000000100000060100020110000010000100000700,0400000c00b003,060000000000000000008800120000000000000000000000000000000000000000004600402805,00000000000000000004348a1861308789070f7f1f,0,6,42,2,0,6,48,50,-4.4319999999999995,3.8369999999999997,3,,0.00062341,+,1.0156,-,1.0156,https://www.genome.jp/dbget-bin/www_bget?dr:D01854
1126,D08897, Dapagliflozin (USAN/INN)," Other blood glucose lowering drugs, excl. insulins",A10BX09,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)Cc1ccc(cc1)OCC)Cl)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO,408.87300000000005,1.8444,104.823,99.38,31,4,6,JVHXJTBJCFBINQ-ADAARDCZSA-N,C21H25ClO6,CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(CO)C(C(C1O)O)O,"InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1",-2.375,-2.1369,-1.9232,-1.9129,-1.9109,-1.906,1.4737,1.4754,1.4985,2.3385,2.3565,D08897_A10BX09,00040202040002440200020082020000a400804000001e00002200a000240000100040084000000520010008200500000100024000204011000000020000000808900a02010004010000a102a6008002008a004000001028400808010009000000000001000004020040000051102880000301000a0100a00800000100800004,0000003c70b001,03b802000001000000000000000000000000000000040000000000000000000000000601402004,000000000000302180004207421403602ccfa3d51e,0,12,43,0,0,6,53,55,-9.027999999999999,0.081,5,3.0,0.534146667,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D08897
1127,D09763, Dapagliflozin propanediol (USAN)," Other blood glucose lowering drugs, excl. insulins",A10BX09,ALIMENTARY TRACT AND METABOLISM,c1(ccc(c(c1)Cc1ccc(cc1)OCC)Cl)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO,408.87300000000005,1.8444,104.823,99.38,31,4,6,JVHXJTBJCFBINQ-ADAARDCZSA-N,C21H25ClO6,CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(CO)C(C(C1O)O)O,"InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1",-2.3732,-2.1305,-1.9240000000000002,-1.9132,-1.9088,-1.9066,1.4733,1.4776,1.5002,2.3377,2.3594,D09763_A10BX09,00040202040002440200020082020000a400804000001e00002200a000240000100040084000000520010008200500000100024000204011000000020000000808900a02010004010000a102a6008002008a004000001028400808010009000000000001000004020040000051102880000301000a0100a00800000100800004,0000003c70b001,03b802000001000000000000000000000000000000040000000000000000000000000601402004,000000000000302180004207421403602ccfa3d51e,0,12,43,0,0,6,53,55,-9.026,0.08199999999999999,5,-1.0,0.533915102,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D09763
1128,D09592, Canagliflozin (USAN/INN)," Other blood glucose lowering drugs, excl. insulins",A10BX11,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)c1ccc(c(c1)Cc1sc(cc1)c1ccc(cc1)F)C)O)O)O,444.51599999999996,2.9683,116.751,118.39,30,4,6,XTNGUQKDFGDXSJ-ZXGKGEBGSA-N,C24H25FO5S,OCC1OC(c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)C(C(C1O)O)O,"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1",-2.3678,-1.9675,-1.9257,-1.9198,-1.9038,-1.8975,1.8088,1.8137,1.8223,1.8243,1.8915,D09592_A10BX11,0006c3020400024002800600ca4300026502804000080800002000a4000400021000400840400035a00009682009000005001050002050150a4000020008020808900a02002004000010a10210000000808a00c00002102841084801000900000920100d80040400104002105100a88000030502020110800000800100200100,0000003c30b001,03b80000000100000000000000000000000000000008c000000000000000000000000601402004,00000000080230218000c787021488402ccda3d51e,1,17,42,0,0,5,56,59,-9.025,-0.56,5,1.0,0.933731675,-,1.6954,-,1.6954,https://www.genome.jp/dbget-bin/www_bget?dr:D09592
1129,D02323, Tolrestat (USAN/INN), Aldose reductase inhibitors,A10XA01,ALIMENTARY TRACT AND METABOLISM,c12c(c(c(cc2)OC)C(F)(F)F)cccc1C(=S)N(CC(=O)O)C,357.347,3.5591,87.2878,81.86,18,1,5,LUBHDINQXIHVLS-UHFFFAOYSA-N,C16H14F3NO3S,COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C,"InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)",-4.5466,-4.5328,-4.1857,-4.1839,-4.1697,-2.3418,1.4442,1.571,2.1025,2.2299,2.3784,D02323_A10XA01,080201000040148000000600000330000000009000010000000000c0000000000000420000000002088a000800000010000302000000000000000002008000100820080001040001000000010288008200a000400000200050080000001300000010003200040002000000018010000000060100080110200800000008800000,2400000c50b003,000102000000000000008800000200000000000000000000000000000000000000004240602800,00000000004200000001b1509887056628c4bbff1f,3,11,26,2,0,6,38,39,-4.728,0.863,0,1.0,0.00122216,-,0.7719,-,0.7719,https://www.genome.jp/dbget-bin/www_bget?dr:D02323
1130,D06543, Vitamin A (USP)," Vitamin A, plain",A11CA01,ALIMENTARY TRACT AND METABOLISM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C)C,286.452,5.5103,94.6718,20.23,31,1,1,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C20H30O,OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",-2.8865,-1.1594,-0.684,-0.5718,-0.5393,-0.3639,0.389,0.4048,0.4146,0.4246,1.1847,D06543_A11CA01,000000000000822400000000000000000000008000404000000000000010200012000000008040000000000000000000010000009020000020000000000000000c000800000400000000020000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,0000001c00a001,1b1800000000000000000000000000000000000000000000000000000000000000000040432000,0000000000000200020a020004982c80001434951c,0,0,46,5,0,5,51,51,-7.9239999999999995,-0.774,0,1.0,0.804495215,-,0.7414,-,0.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D06543
1131,D06543, Vitamin A (USP), Retinoids for topical use in acne,D10AD02,DERMATOLOGICALS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C)C,286.452,5.5103,94.6718,20.23,31,1,1,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C20H30O,OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",-2.8833,-1.1605,-0.6791,-0.5710000000000001,-0.5514,-0.3639,0.3922,0.4054,0.4167,0.4254,1.1947,D06543_D10AD02,000000000000822400000000000000000000008000404000000000000010200012000000008040000000000000000000010000009020000020000000000000000c000800000400000000020000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,0000001c00a001,1b1800000000000000000000000000000000000000000000000000000000000000000040432000,0000000000000200020a020004982c80001434951c,0,0,46,5,0,5,51,51,-7.9239999999999995,-0.774,0,1.0,0.804495215,-,0.7414,-,0.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D06543
1132,D06543, Vitamin A (USP), Other nasal preparations,R01AX02,RESPIRATORY SYSTEM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C)C,286.452,5.5103,94.6718,20.23,31,1,1,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C20H30O,OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",-2.8854,-1.1619,-0.6696,-0.5717,-0.55,-0.3639,0.3898,0.4054,0.4165,0.4245,1.1949,D06543_R01AX02,000000000000822400000000000000000000008000404000000000000010200012000000008040000000000000000000010000009020000020000000000000000c000800000400000000020000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,0000001c00a001,1b1800000000000000000000000000000000000000000000000000000000000000000040432000,0000000000000200020a020004982c80001434951c,0,0,46,5,0,5,51,51,-7.9239999999999995,-0.774,0,1.0,0.804495215,-,0.7414,-,0.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D06543
1133,D06543, Vitamin A (USP), Other ophthalmologicals,S01XA02,SENSORY ORGANS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C)C,286.452,5.5103,94.6718,20.23,31,1,1,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C20H30O,OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",-2.8867,-1.1586,-0.6784,-0.5702,-0.5528,-0.3636,0.3896,0.40700000000000003,0.4176,0.4264,1.1939,D06543_S01XA02,000000000000822400000000000000000000008000404000000000000010200012000000008040000000000000000000010000009020000020000000000000000c000800000400000000020000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,0000001c00a001,1b1800000000000000000000000000000000000000000000000000000000000000000040432000,0000000000000200020a020004982c80001434951c,0,0,46,5,0,5,51,51,-7.9239999999999995,-0.774,0,1.0,0.804495215,-,0.7414,-,0.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D06543
1134,D00164, Retinol palmitate (JP17)," Vitamin A, plain",A11CA01,ALIMENTARY TRACT AND METABOLISM,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)/C,524.86,11.5425,171.707,26.3,62,0,2,VYGQUTWHTHXGQB-FFHKNEKCSA-N,C36H60O2,CCCCCCCCCCCCCCCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",-4.4589,-2.9883,-1.8107,-1.2838,-1.1623,-0.9079999999999999,0.4263,0.45299999999999996,0.7473,0.7763,1.5363,D00164_A11CA01,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020402020000000000082000c100800000400000000820008800204009000400000004000001000000000000204000000000002010000000000184000030100000000000000040100040500,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,92,6,0,21,98,98,-8.017000000000001,-0.753,0,0.0,0.976125956,-,4.9443,-,4.9443,https://www.genome.jp/dbget-bin/www_bget?dr:D00164
1135,D00164, Retinol palmitate (JP17), Retinoids for topical use in acne,D10AD02,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)/C,524.86,11.5425,171.707,26.3,62,0,2,VYGQUTWHTHXGQB-FFHKNEKCSA-N,C36H60O2,CCCCCCCCCCCCCCCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",-4.224,-3.0283,-1.7834,-1.2145,-1.1605,-0.7805,0.4174,0.4269,0.5654,0.768,1.5218,D00164_D10AD02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020402020000000000082000c100800000400000000820008800204009000400000004000001000000000000204000000000002010000000000184000030100000000000000040100040500,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,92,6,0,21,98,98,-8.017000000000001,-0.753,0,0.0,0.976125956,-,4.9443,-,4.9443,https://www.genome.jp/dbget-bin/www_bget?dr:D00164
1136,D00164, Retinol palmitate (JP17), Other nasal preparations,R01AX02,RESPIRATORY SYSTEM,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)/C,524.86,11.5425,171.707,26.3,62,0,2,VYGQUTWHTHXGQB-FFHKNEKCSA-N,C36H60O2,CCCCCCCCCCCCCCCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",-4.2504,-3.0506,-1.7814,-1.2308,-1.148,-0.8846,0.4189,0.4265,0.7217,0.7232,1.5325,D00164_R01AX02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020402020000000000082000c100800000400000000820008800204009000400000004000001000000000000204000000000002010000000000184000030100000000000000040100040500,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,92,6,0,21,98,98,-8.017000000000001,-0.753,0,0.0,0.976125956,-,4.9443,-,4.9443,https://www.genome.jp/dbget-bin/www_bget?dr:D00164
1137,D00164, Retinol palmitate (JP17), Other ophthalmologicals,S01XA02,SENSORY ORGANS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)/C,524.86,11.5425,171.707,26.3,62,0,2,VYGQUTWHTHXGQB-FFHKNEKCSA-N,C36H60O2,CCCCCCCCCCCCCCCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",-4.2903,-2.965,-1.7994,-1.1767,-1.1619,-0.9215,0.4161,0.4265,0.7153,0.8291,1.4954,D00164_S01XA02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020402020000000000082000c100800000400000000820008800204009000400000004000001000000000000204000000000002010000000000184000030100000000000000040100040500,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,92,6,0,21,98,98,-8.017000000000001,-0.753,0,0.0,0.976125956,-,4.9443,-,4.9443,https://www.genome.jp/dbget-bin/www_bget?dr:D00164
1138,D01621, Retinol acetate (JP17)," Vitamin A, plain",A11CA01,ALIMENTARY TRACT AND METABOLISM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)C,328.48800000000006,6.0811,104.40899999999999,26.3,34,0,2,QGNJRVVDBSJHIZ-QHLGVNSISA-N,C22H32O2,CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+",-4.3718,-3.0182,-1.8066,-1.2602,-1.1603,-0.9255,0.419,0.4262,0.7406,0.7871,1.5327,D01621_A11CA01,10008000000082240000000040020000000000800040400000000000001420001200000000804000000a000000000000010000009020002020000000000002000c000800000400000000020000800200008000400000004000001000000000000204000000000002010000000000104000020000000000000000040100040000,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ca4001034d71c,0,0,50,6,0,7,56,56,-7.973,-0.8059999999999999,0,,0.89666599,+,1.1664,-,1.1664,https://www.genome.jp/dbget-bin/www_bget?dr:D01621
1139,D01621, Retinol acetate (JP17), Retinoids for topical use in acne,D10AD02,DERMATOLOGICALS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)C,328.48800000000006,6.0811,104.40899999999999,26.3,34,0,2,QGNJRVVDBSJHIZ-QHLGVNSISA-N,C22H32O2,CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+",-4.421,-2.9741,-1.815,-1.2511,-1.1568,-0.8034,0.4172,0.4256,0.6154,0.7598,1.5221,D01621_D10AD02,10008000000082240000000040020000000000800040400000000000001420001200000000804000000a000000000000010000009020002020000000000002000c000800000400000000020000800200008000400000004000001000000000000204000000000002010000000000104000020000000000000000040100040000,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ca4001034d71c,0,0,50,6,0,7,56,56,-7.973,-0.8059999999999999,0,,0.89666599,+,1.1664,-,1.1664,https://www.genome.jp/dbget-bin/www_bget?dr:D01621
1140,D01621, Retinol acetate (JP17), Other nasal preparations,R01AX02,RESPIRATORY SYSTEM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)C,328.48800000000006,6.0811,104.40899999999999,26.3,34,0,2,QGNJRVVDBSJHIZ-QHLGVNSISA-N,C22H32O2,CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+",-4.3722,-3.0196,-1.8127,-1.2606,-1.1572,-0.8686,0.4156,0.4251,0.7012,0.7431,1.5321,D01621_R01AX02,10008000000082240000000040020000000000800040400000000000001420001200000000804000000a000000000000010000009020002020000000000002000c000800000400000000020000800200008000400000004000001000000000000204000000000002010000000000104000020000000000000000040100040000,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ca4001034d71c,0,0,50,6,0,7,56,56,-7.973,-0.8059999999999999,0,,0.89666599,+,1.1664,-,1.1664,https://www.genome.jp/dbget-bin/www_bget?dr:D01621
1141,D01621, Retinol acetate (JP17), Other ophthalmologicals,S01XA02,SENSORY ORGANS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)C,328.48800000000006,6.0811,104.40899999999999,26.3,34,0,2,QGNJRVVDBSJHIZ-QHLGVNSISA-N,C22H32O2,CC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+",-4.3941,-3.0253,-1.8042,-1.2575,-1.1572,-0.7966,0.413,0.4252,0.6182,0.7483,1.5406,D01621_S01XA02,10008000000082240000000040020000000000800040400000000000001420001200000000804000000a000000000000010000009020002020000000000002000c000800000400000000020000800200008000400000004000001000000000000204000000000002010000000000104000020000000000000000040100040000,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ca4001034d71c,0,0,50,6,0,7,56,56,-7.973,-0.8059999999999999,0,,0.89666599,+,1.1664,-,1.1664,https://www.genome.jp/dbget-bin/www_bget?dr:D01621
1142,D08477, Retinol propionate," Vitamin A, plain",A11CA01,ALIMENTARY TRACT AND METABOLISM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CC)/C)/C)C,342.515,6.4712,109.21600000000001,26.3,36,0,2,SFRPDSKECHTFQA-ONOWFSFQSA-N,C23H34O2,CCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+",-4.46,-2.9921,-1.8118,-1.273,-1.1612,-0.802,0.4139,0.4261,0.6188,0.7553,1.5405,D08477_A11CA01,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020002020000000000002000c000800000400000000020000800200009000400000004000001000000000000204000000000002010000000000104000020100000000000000040100040400,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,53,6,0,8,59,59,-7.9670000000000005,-0.8009999999999999,0,-2.0,0.919003725,+,1.1355,-,1.1355,https://www.genome.jp/dbget-bin/www_bget?dr:D08477
1143,D08477, Retinol propionate, Retinoids for topical use in acne,D10AD02,DERMATOLOGICALS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CC)/C)/C)C,342.515,6.4712,109.21600000000001,26.3,36,0,2,SFRPDSKECHTFQA-ONOWFSFQSA-N,C23H34O2,CCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+",-4.4804,-2.9878,-1.8067,-1.2546,-1.1615,-0.8054,0.4188,0.4249,0.6458,0.7395,1.5367,D08477_D10AD02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020002020000000000002000c000800000400000000020000800200009000400000004000001000000000000204000000000002010000000000104000020100000000000000040100040400,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,53,6,0,8,59,59,-7.9670000000000005,-0.8009999999999999,0,-2.0,0.919003725,+,1.1355,-,1.1355,https://www.genome.jp/dbget-bin/www_bget?dr:D08477
1144,D08477, Retinol propionate, Other nasal preparations,R01AX02,RESPIRATORY SYSTEM,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CC)/C)/C)C,342.515,6.4712,109.21600000000001,26.3,36,0,2,SFRPDSKECHTFQA-ONOWFSFQSA-N,C23H34O2,CCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+",-4.4545,-2.9975,-1.7999,-1.2733,-1.1605,-0.804,0.4203,0.4255,0.6279,0.7529,1.5452,D08477_R01AX02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020002020000000000002000c000800000400000000020000800200009000400000004000001000000000000204000000000002010000000000104000020100000000000000040100040400,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,53,6,0,8,59,59,-7.9670000000000005,-0.8009999999999999,0,-2.0,0.919003725,+,1.1355,-,1.1355,https://www.genome.jp/dbget-bin/www_bget?dr:D08477
1145,D08477, Retinol propionate, Other ophthalmologicals,S01XA02,SENSORY ORGANS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)CC)/C)/C)C,342.515,6.4712,109.21600000000001,26.3,36,0,2,SFRPDSKECHTFQA-ONOWFSFQSA-N,C23H34O2,CCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+",-4.4105,-3.0,-1.8082,-1.2501,-1.1572,-0.9059,0.4151,0.4267,0.6927,0.764,1.53,D08477_S01XA02,10008000000082240000000040020000000000800040400000000000001420001200000000804001000a000020000000010000009020002020000000000002000c000800000400000000020000800200009000400000004000001000000000000204000000000002010000000000104000020100000000000000040100040400,04000000302005,1b0000000000000000009000000000000000000000000000000000000000000000000040432801,0000000000000200020a000004982ea4091034d71c,0,0,53,6,0,8,59,59,-7.9670000000000005,-0.8009999999999999,0,-2.0,0.919003725,+,1.1355,-,1.1355,https://www.genome.jp/dbget-bin/www_bget?dr:D08477
1146,D03101, beta Carotene (USP)," Vitamin A, plain",A11CA02,ALIMENTARY TRACT AND METABOLISM,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C\C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C,536.873,12.6058,184.43200000000002,0.0,56,0,0,OENHQHLEOONYIE-LXAKRSFRSA-N,C40H56,CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C=CC=C(C=CC1=C(C)CCCC1(C)C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13-,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",-0.364,-0.3636,-0.3635,-0.363,-0.2985,-0.2985,0.2415,0.2415,0.2418,0.2444,0.4038,D03101_A11CA02,0000000000008224000000000000000000000080004040000000000000002000120000000080000000000000000000000100000080200000200000000000000004000000000400000000000000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,00000000000001,1b0000000000000000000000000000000000000000000000000000000000000000000040032000,0000000000000200020a000004882c800010358014,0,0,86,11,0,10,96,97,-7.73,-0.7929999999999999,0,0.0,0.9999479059999999,+,4.6033,-,4.6033,https://www.genome.jp/dbget-bin/www_bget?dr:D03101
1147,D03101, beta Carotene (USP), Protectives against UV-radiation for systemic use,D02BB01,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C\C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C,536.873,12.6058,184.43200000000002,0.0,56,0,0,OENHQHLEOONYIE-LXAKRSFRSA-N,C40H56,CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C=CC=C(C=CC1=C(C)CCCC1(C)C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13-,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+",-0.3637,-0.3636,-0.3634,-0.3633,-0.2997,-0.2992,0.2412,0.2416,0.2432,0.2433,0.4047,D03101_D02BB01,0000000000008224000000000000000000000080004040000000000000002000120000000080000000000000000000000100000080200000200000000000000004000000000400000000000000000200000000400000000000001000000000000204000000000000010000000000004000000000000000000000040100040000,00000000000001,1b0000000000000000000000000000000000000000000000000000000000000000000040032000,0000000000000200020a000004882c800010358014,0,0,86,11,0,10,96,97,-7.73,-0.7929999999999999,0,0.0,0.9999479059999999,+,4.6033,-,4.6033,https://www.genome.jp/dbget-bin/www_bget?dr:D03101
1148,D00187, Ergocalciferol (JP17/USP), Vitamin D and analogues,A11CC01,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C\C=C/2\C[C@H](CCC2=C)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](/C=C/[C@H](C)C(C)C)C)C,396.648,7.641,129.374,20.23,45,1,1,MECHNRXZTMCUDQ-RKHKHRCZSA-N,C28H44O,OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(C=CC(C(C)C)C)C)C)C1,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",-1.9163,-0.5967,-0.596,-0.5720000000000001,-0.5712,-0.5546,0.4427,0.4462,0.4894,0.5924,0.8222,D00187_A11CC01,000000040000822400000001000000000000008000404000000000000000200012000000008000010000000000000000010000008020400200000000000000000c000800040400000000800000000200000000400002000008001000000000000204000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040432004,0000000002000200020a008294892cc00954b5901c,0,0,71,4,0,5,73,75,-8.238,-0.21100000000000002,6,0.0,0.982690573,-,1.673,-,1.673,https://www.genome.jp/dbget-bin/www_bget?dr:D00187
1149,D00299, Dihydrotachysterol (JAN/USP/INN), Vitamin D and analogues,A11CC02,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C\C=C/2\[C@H](CC[C@@H](C2)O)C)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](/C=C/[C@H](C)C(C)C)C)C,398.664,7.7209,129.84799999999998,20.23,47,1,1,ILYCWAKSDCYMBB-OPCMSESCSA-N,C28H46O,OC1CCC(C(=CC=C2CCCC3(C2CCC3C(C=CC(C(C)C)C)C)C)C1)C,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",-1.9231,-0.5717,-0.5715,-0.5614,-0.4438,-0.3764,0.4219,0.4411,0.4413,0.7213,0.8267,D00299_A11CC02,000000040000022400000001000000000000008000404000000000000000200012000000008000010000000000000000010000008020400200000000000000000c000800040400000000800000000200000000400002000008001000000000000204000000000000010000000000084000000000000000000000040100000000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040432004,0000000000000200020a008294892cc00954b5901c,0,0,74,3,0,5,75,77,-8.731,0.5710000000000001,7,,0.979053319,-,1.5898,-,1.5898,https://www.genome.jp/dbget-bin/www_bget?dr:D00299
1150,D01518, Alfacalcidol (JAN/INN), Vitamin D and analogues,A11CC03,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CCCC(C)C)C)C,400.63699999999994,6.5898,126.20299999999999,40.46,46,2,2,OFHCOWSQAMBJIW-AVJTYSNKSA-N,C27H44O2,CC(CCCC(C1CCC2C1(C)CCCC2=CC=C1CC(O)CC(C1=C)O)C)C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",-2.8738,-1.9106,-1.3237,-0.9222,-0.7986,-0.7244,0.6709,0.8147,0.8229,1.0239,1.2375,D01518_A11CC03,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002001200020a008594892cc00d54b5d41c,0,0,72,3,0,6,73,75,-8.432,-0.10300000000000001,6,,0.949716151,-,1.7731,-,1.7731,https://www.genome.jp/dbget-bin/www_bget?dr:D01518
1151,D00129, Calcitriol (JAN/USP/INN), Vitamin D and analogues,A11CC04,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CCCC(O)(C)C)C)C,416.63599999999997,5.7047,127.402,60.69,47,3,3,GMRQFYUYWCNGIN-NKMMMXOESA-N,C27H44O3,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",-2.8743,-1.916,-1.9102,-1.3338,-0.9072,-0.8821,0.8142,0.8192,0.8198,1.0386,1.2416,D00129_A11CC04,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000006c00a001,1f6800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002001200020a008794892cc00d54b7d41c,0,0,73,3,0,6,74,76,-8.463,-0.129,6,1.0,0.9115273359999999,+,2.1363,-,2.1363,https://www.genome.jp/dbget-bin/www_bget?dr:D00129
1152,D00129, Calcitriol (JAN/USP/INN), Other antipsoriatics for topical use,D05AX03,DERMATOLOGICALS,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CCCC(O)(C)C)C)C,416.63599999999997,5.7047,127.402,60.69,47,3,3,GMRQFYUYWCNGIN-NKMMMXOESA-N,C27H44O3,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",-2.8701,-1.9229,-1.9159,-1.3253,-0.9165,-0.8786,0.8229,0.8476,1.0402,1.2418,1.2665,D00129_D05AX03,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000006c00a001,1f6800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002001200020a008794892cc00d54b7d41c,0,0,73,3,0,6,74,76,-8.463,-0.129,6,1.0,0.9115273359999999,+,2.1363,-,2.1363,https://www.genome.jp/dbget-bin/www_bget?dr:D00129
1153,D00188, Cholecalciferol (JP17/USP), Vitamin D and analogues,A11CC05,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C/C=C\2/C[C@H](CCC2=C)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CCCC(C)C)C)C,384.63800000000003,7.619,125.041,20.23,45,1,1,QYSXJUFSXHHAJI-YRZJJWOYSA-N,C27H44O,CC(CCCC(C1CCC2C1(C)CCCC2=CC=C1CC(O)CCC1=C)C)C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",-1.9168,-0.5967,-0.596,-0.5557,-0.4349,-0.3778,0.4387,0.4438,0.4451,0.4468,0.5906,D00188_A11CC05,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000008020400200000000000000000c000800040400000000800000000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002000200020a008294892cc00954b5941c,0,0,71,3,0,6,72,74,-8.249,-0.2,5,,0.9762872459999999,-,1.8549,-,1.8549,https://www.genome.jp/dbget-bin/www_bget?dr:D00188
1154,D00122, Calcifediol (USP/INN), Vitamin D and analogues,A11CC06,ALIMENTARY TRACT AND METABOLISM,C1C/C(=C\C=C\2/C[C@H](CCC2=C)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CCCC(O)(C)C)C)C,400.63699999999994,6.7339,126.241,40.46,46,2,2,JWUBBDSIWDLEOM-WIFPIRAHSA-N,C27H44O2,OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1",-1.9181,-1.9032,-0.5951,-0.5915,-0.5518,-0.4511,0.4506,0.489,0.5381,0.5965,0.8136,D00122_A11CC06,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000008020400200000000000000000c000800040400000000800000000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000006c00a001,1f6800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002000200020a008694892cc00d54b5d41c,0,0,72,3,0,6,73,75,-8.418,-0.121,5,,0.95761323,+,2.1886,-,2.1886,https://www.genome.jp/dbget-bin/www_bget?dr:D00122
1155,D08580, Thiamine (INN)," Vitamin B1, plain",A11DA01,ALIMENTARY TRACT AND METABOLISM,n1(c(c(sc1)CCO)C)Cc1c(nc(nc1)C)N,265.355,1.984,73.3262,105.2,21,2,5,NRFUQFSJQZTSJH-UHFFFAOYSA-N,C12H17N4OS,OCCc1scn(c1C)Cc1cnc(nc1N)C,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)",-5.1172,-5.0905,-3.9761,-3.8051,-3.2955,-3.1717,1.6149,1.9527,2.0180000000000002,2.3257,2.844,D08580_A11DA01,c00a01c311400060000046000c3000001000009000400000000000000000040010010004400588210008001000000000090220400000400002020002100402040c000c000004020000000c0002200100001000400400204490400002000100100018002000d00000004010002000180110061818404210200000000102000010,0000001c00b121,031801080000004000000000000000010000000000009000000000000000000000000600403804,00000008284000000194bf828a18a8835da77cbd1f,0,6,33,0,0,4,38,39,-12.732999999999999,-5.649,0,0.0,0.002195431,-,0.6324,-,0.6324,https://www.genome.jp/dbget-bin/www_bget?dr:D08580
1156,D01225, Cocarboxylase (JAN/INN)," Vitamin B1, plain",A11DA01,ALIMENTARY TRACT AND METABOLISM,n1c(ncc(c1N)Cn1c(c(sc1)CCO[P@@](=O)(OP(=O)(O)O)O)C)C,425.314,2.218,95.1468,217.88,26,4,11,ASEHNVZSWJFOKC-UHFFFAOYSA-N,C12H19N4O7P2S,Cc1ncc(c(n1)N)Cn1csc(c1C)CCOP(=O)(OP(=O)(O)O)O,"InChI=1S/C12H19N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)",-10.5697,-10.5281,-10.4594,-10.2677,-10.2196,-7.5095,3.4531,3.4916,5.0645,5.0819,5.084,D01225_A11DA01,c2aa01c311404060040046000c30000010000590024000020001000000000440100100044005882100080014000000000b1220400000400002020002300402850c020c000004020020000e0002200100001000400400204490400002000100100018002000d080000048100024001801100618184043d0200000000102000010,0000000000b121,030001080000004000000000000000010000000000009000000000000000200000000600443804,0000001828c410001194bd872a9aa8abdfaf7efd1f,0,6,41,2,0,8,48,49,-0.326,1.369,0,,2.87793e-17,-,1.1622,-,1.1622,https://www.genome.jp/dbget-bin/www_bget?dr:D01225
1157,D02094, Thiamine hydrochloride (USP)," Vitamin B1, plain",A11DA01,ALIMENTARY TRACT AND METABOLISM,n1(c(c(sc1)CCO)C)Cc1c(nc(nc1)C)N,265.355,1.984,73.3262,105.2,21,2,5,NRFUQFSJQZTSJH-UHFFFAOYSA-N,C12H17N4OS,OCCc1scn(c1C)Cc1cnc(nc1N)C,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)",-5.1268,-5.0784,-3.9810000000000003,-3.801,-3.2778,-3.1803,2.0184,2.331,2.7889,2.9006,2.9969,D02094_A11DA01,c00a01c311400060000046000c3000001000009000400000000000000000040010010004400588210008001000000000090220400000400002020002100402040c000c000004020000000c0002200100001000400400204490400002000100100018002000d00000004010002000180110061818404210200000000102000010,0000001c00b121,031801080000004000000000000000010000000000009000000000000000000000000600403804,00000008284000000194bf828a18a8835da77cbd1f,0,6,33,0,0,4,38,39,-12.732999999999999,-5.646,0,1.0,0.0021964660000000002,-,0.6324,-,0.6324,https://www.genome.jp/dbget-bin/www_bget?dr:D02094
1158,D03277, Thiamine mononitrate (USP)," Vitamin B1, plain",A11DA01,ALIMENTARY TRACT AND METABOLISM,n1(c(c(sc1)CCO)C)Cc1c(nc(nc1)C)N,265.355,1.984,73.3262,105.2,21,2,5,NRFUQFSJQZTSJH-UHFFFAOYSA-N,C12H17N4OS,OCCc1scn(c1C)Cc1cnc(nc1N)C,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)",-5.1465,-5.121,-3.9843,-3.8159,-3.2985,-3.1702,1.6877,1.9622,2.02,2.3334,3.5301,D03277_A11DA01,c00a01c311400060000046000c3000001000009000400000000000000000040010010004400588210008001000000000090220400000400002020002100402040c000c000004020000000c0002200100001000400400204490400002000100100018002000d00000004010002000180110061818404210200000000102000010,0000001c00b121,031801080000004000000000000000010000000000009000000000000000000000000600403804,00000008284000000194bf828a18a8835da77cbd1f,0,6,33,0,0,4,38,39,-12.732999999999999,-5.646,0,0.0,0.002195211,-,0.6324,-,0.6324,https://www.genome.jp/dbget-bin/www_bget?dr:D03277
1159,D08581, Monophosphothiamine (INN)," Vitamin B1, plain",A11DA01,ALIMENTARY TRACT AND METABOLISM,n1c(nc(c(c1)Cn1c(c(sc1)CCOP(=O)(O)O)C)N)C,345.334,2.101,84.2365,161.54,23,3,8,LEZVGDPNCYYCAY-UHFFFAOYSA-N,C12H18N4O4PS,Cc1ncc(c(n1)N)Cn1csc(c1C)CCOP(=O)(O)O,"InChI=1S/C12H18N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H2,13,14,15)(H2,17,18,19)",-10.5501,-10.546,-10.1893,-7.5262,-5.1151,-5.0857,3.0457,3.0494,3.4360000000000004,3.5004,5.0962,D08581_A11DA01,c08a01c311404060040046000c30000010000190024000020000000000000400100100044005882100080014000000000b1220400000400002020002300402840c020c000004020020000e0002200100001000400400204490400002000100100018002000d00000004810002400180110061818404390200000000102000010,0000000000b121,030001080000004000000000000000010000000000009000000000000010200000000600403804,0000001828c400001194bd862a9aa8ab5faf7efd1f,0,6,37,1,0,6,43,44,-2.813,-0.672,0,0.0,4.23364e-11,-,0.7193,-,0.7193,https://www.genome.jp/dbget-bin/www_bget?dr:D08581
1160,D01319, Bisibuthiamine (JAN)," Vitamin B1, plain",A11DA02,ALIMENTARY TRACT AND METABOLISM,C(N(C=O)/C(=C(\SS/C(=C(/C)\N(Cc1c(nc(nc1)C)N)C=O)/CCOC(=O)C(C)C)/CCOC(=O)C(C)C)/C)c1c(nc(nc1)C)N,702.888,7.122000000000001,190.537,247.42,62,2,16,CKHJPWQVLKHBIH-ZDSKVHJSSA-N,C32H46N8O6S2,O=CN(C(=C(SSC(=C(N(Cc1cnc(nc1N)C)C=O)C)CCOC(=O)C(C)C)CCOC(=O)C(C)C)C)Cc1cnc(nc1N)C,"InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22-",-5.1417,-5.0995,-5.09,-4.4448,-4.4128,-3.8877,2.2943,2.371,2.4138,2.57,3.4806,D01319_A11DA02,c00241c104000144010046000c023000000114c00020400000010000000404041a01000040a48021001e00806084008000802c488000400002000442000043000c000d0004250200001004200280001000904040440620401000100048051810041c000060d00040005930002000010110061958000100601000000143004010,0400000030b225,070000084000000000009000120000010000000000009000000000800000000000000600403801,0020000020100000059a99020e38b8afdcbb7fff1f,0,12,77,6,0,21,94,95,-8.039,-2.02,0,,0.5225423570000001,-,5.0375,-,5.0375,https://www.genome.jp/dbget-bin/www_bget?dr:D01319
1161,D01255, Benfotiamine (JAN/INN)," Vitamin B1, plain",A11DA03,ALIMENTARY TRACT AND METABOLISM,C(N(C=O)/C(=C(\SC(=O)c1ccccc1)/CCOP(=O)(O)O)/C)c1c(nc(nc1)C)N,466.44800000000004,3.8472,117.6,191.05,32,3,11,BTNNPSLJPBRMLZ-LGMDPLHJSA-N,C19H23N4O6PS,O=CN(C(=C(SC(=O)c1ccccc1)CCOP(=O)(O)O)C)Cc1cnc(nc1N)C,"InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-",-10.5344,-10.5285,-10.2631,-7.5075,-5.124,-5.0703,2.9628,3.0397,3.5336,3.5341,5.1097,D01255_A11DA03,c08205c1000081c4210046000c101000000105802640400200000080000004041e01500040868021000e02cc0080008002102040400040c002010042282003840c020c000435020020100660029001000091404044062041514810c000054010041c000060d0000000581000240001011406191828258480000d000102006010,0400000000b121,030000080000000000008002120000010001000000009000000000000010200000000640403800,0000001020940000119899062ebab8abdeaf7fff1f,0,12,39,4,0,11,54,55,0.544,3.261,0,0.0,1.30575e-13,-,1.1814,-,1.1814,https://www.genome.jp/dbget-bin/www_bget?dr:D01255
1162,D00018, Ascorbic acid (JP17/USP/INN)," Ascorbic acid (vitamin C), plain",A11GA01,ALIMENTARY TRACT AND METABOLISM,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,14,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7568,-3.1895,-2.116,-2.0444,-1.9222,-1.9045,1.4068,1.4338,1.4936,1.5409,1.8471,D00018_A11GA01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-9.674,-0.456,2,,0.000305668,-,0.6272,-,0.6272,https://www.genome.jp/dbget-bin/www_bget?dr:D00018
1163,D00018, Ascorbic acid (JP17/USP/INN), Organic acids,G01AD03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,14,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7562,-3.1861,-2.1123,-2.0874,-1.9171,-1.9019,1.3921,1.4338,1.5389,1.7862,1.8534,D00018_G01AD03,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-9.674,-0.456,2,,0.000305668,-,0.6272,-,0.6272,https://www.genome.jp/dbget-bin/www_bget?dr:D00018
1164,D00018, Ascorbic acid (JP17/USP/INN), Other ophthalmologicals,S01XA15,SENSORY ORGANS,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,14,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7543,-3.1864,-2.1119,-2.0968,-1.9169999999999998,-1.9011,1.392,1.4334,1.5387,1.7881,1.8528,D00018_S01XA15,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-9.674,-0.456,2,,0.000305668,-,0.6272,-,0.6272,https://www.genome.jp/dbget-bin/www_bget?dr:D00018
1165,D02293, Calcium ascorbate (USP)," Ascorbic acid (vitamin C), plain",A11GA01,ALIMENTARY TRACT AND METABOLISM,C1(=C(C(=O)O[C@@H]1[C@H](CO)O)O)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.755,-3.195,-2.1214,-1.921,-1.912,-1.8663,1.4467,1.5321,1.5395,1.6968,1.8529,D02293_A11GA01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.05,5.037,2,1.0,0.000449269,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D02293
1166,D02293, Calcium ascorbate (USP)," Ascorbic acid (vitamin C), combinations",A11GB01,ALIMENTARY TRACT AND METABOLISM,C1(=C(C(=O)O[C@@H]1[C@H](CO)O)O)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7503,-3.1953,-2.1214,-1.9198,-1.9123,-1.901,1.4463,1.5389,1.5551,1.7063,1.8531,D02293_A11GB01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.05,5.037,2,1.0,0.000449269,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D02293
1167,D05853, Sodium ascorbate (USP/INN)," Ascorbic acid (vitamin C), plain",A11GA01,ALIMENTARY TRACT AND METABOLISM,[C@H]1(C(=C(C(=O)O1)O)O)[C@@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-DUZGATOHSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1",-4.7542,-3.1849,-2.2192,-2.1106,-1.9171,-1.8987,1.3923,1.4319,1.5387,1.8369,1.8528,D05853_A11GA01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.0610000000000004,5.039,2,0.0,0.0004928409999999999,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D05853
1168,D05853, Sodium ascorbate (USP/INN), Organic acids,G01AD03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C(=C(C(=O)O1)O)O)[C@@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-DUZGATOHSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1",-4.7487,-3.1865,-2.2159,-2.1107,-1.9169999999999998,-1.899,1.3923,1.4318,1.5386,1.8361,1.8539,D05853_G01AD03,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.0610000000000004,5.039,2,0.0,0.0004928409999999999,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D05853
1169,D07575, Ascorbic acid calcium salt," Ascorbic acid (vitamin C), plain",A11GA01,ALIMENTARY TRACT AND METABOLISM,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7533,-3.1852,-2.1109999999999998,-1.9999,-1.923,-1.9022,1.4322,1.4898,1.5391,1.7818,1.854,D07575_A11GA01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.0469999999999997,5.045,2,0.0,0.000444084,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D07575
1170,D07575, Ascorbic acid calcium salt," Ascorbic acid (vitamin C), combinations",A11GB01,ALIMENTARY TRACT AND METABOLISM,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7654,-3.1853,-2.1111,-2.0572,-1.9206,-1.9007,1.4337,1.5393,1.5521,1.787,1.8512,D07575_A11GB01,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.0469999999999997,5.045,2,0.0,0.000444084,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D07575
1171,D07575, Ascorbic acid calcium salt, Organic acids,G01AD03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O,176.12400000000002,-1.4074,35.1202,107.22,13,4,6,CIWBSHSKHKDKBQ-JLAZNSOCSA-N,C6H8O6,OCC(C1OC(=O)C(=C1O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",-4.7558,-3.1871,-2.1157,-2.1117,-1.9167,-1.9006,1.392,1.4334,1.5391,1.7968,1.8527,D07575_G01AD03,10008000000000140800000000420100200000800000400000040000001400001000000800800005800a0000200000000120000010004501000000001000020008800a0004000000000000000080028800c000400002000000005001000000010014002880020002000000004000600000020110000500000000008008000400,0400003c38a005,00380000000100008001a00000000000c001000000000000000000000000000000000441407804,000000000000300180080685841000440c4da25718,0,0,18,2,0,2,20,20,-3.0469999999999997,5.045,2,0.0,0.000444084,-,0.6129,-,0.6129,https://www.genome.jp/dbget-bin/www_bget?dr:D07575
1172,D00036, Niacinamide (USP), Other plain vitamin preparations,A11HA01,ALIMENTARY TRACT AND METABOLISM,c1(cccnc1)C(=O)N,122.125,0.8808,32.3319,55.98,9,1,3,DFPAKSUCGFBDDF-UHFFFAOYSA-N,C6H6N2O,NC(=O)c1cccnc1,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",-4.58,-4.2238,-4.2086,-3.6457,-1.296,-1.2428,1.1403,1.2229999999999999,1.3789,1.4277,1.4747,D00036_A11HA01,00000080000000800000060000004000000000000000000800000000000004000c0040000000802000860408000000c00000000000002000040000020000000004000400000000000000000000880000000000400400000140000000000000000010000000400000000000000010040010060000004100000088800002000000,0400000000b001,000000000000000000008000060000004001000000009000000000000000000000000640402800,000000000000000001800808032010010021402a1f,0,6,8,1,0,1,15,15,-10.51,-0.42200000000000004,0,1.0,0.007283983000000001,-,0.2365,-,0.2365,https://www.genome.jp/dbget-bin/www_bget?dr:D00036
1173,D00002, Nadide (JAN/USAN/INN), Other plain vitamin preparations,A11HA01,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@@H]([C@H](O[C@H]1n1cc(ccc1)C(=O)N)CO[P@@](=O)(O[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O)O)O)O)O,664.433,-0.9393,141.02200000000002,338.93,45,8,20,DPFRAJJUTONNJF-NNYOXOHSSA-N,C21H28N7O14P2,OC1C(COP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)O)O)OC(C1O)n1cccc(c1)C(=O)N,"InChI=1S/C21H28N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",-10.485,-10.227,-9.977,-9.7164,-7.4924,-7.439,3.0174,3.4073,3.472,5.0319,5.0478,D00002_A11HA01,c2aa0040000068c11400460008020000700025100002000e02110040015400501400100cc0008027f00e001420000880035220801008c0190a00080020002a110cca1e108010080420018a031290000c049001500c80200cb0018001004340000008002000cc800000c01000e4003800200e098910055880011cc0010a000100,0400002c30b021,062800080001004000008000060000010000000000009800000000000000200000004637443804,000000102080302191d43ccf3bf3b0ebdf6fef7f1f,0,10,68,3,0,11,77,81,-3.8810000000000002,-2.362,8,,1.27994e-10,-,4.3925,-,4.3925,https://www.genome.jp/dbget-bin/www_bget?dr:D00002
1174,D08454, Pyridoxine (INN), Other plain vitamin preparations,A11HA02,ALIMENTARY TRACT AND METABOLISM,c1(c(cnc(c1O)C)CO)CO,169.178,0.0802,43.4816,73.58,15,3,4,LXNHXLLTXMVWPM-UHFFFAOYSA-N,C8H11NO3,OCc1c(CO)cnc(c1O)C,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",-2.9115,-2.9097,-1.3704,-1.1538,-1.1014,-1.0554,1.2574,1.2577,1.2983,1.3686,1.475,D08454_A11HA02,20000000000000c000000200040040000000000040000008000800800024040004004000000080204080000820000040000002400000200004000002000000000c200c0a00000200008020000408008000080040040000005000000000014000000820000000000004c000002010040010020410004100600808004802000000,0000001c02b001,011800000000000000000000000000000000000000019000000000000000000000000600403000,0000000000001000010002470318014105c7a2dd1f,0,6,17,0,0,2,23,23,-9.647,-0.111,0,0.0,0.007396142,-,0.2424,-,0.2424,https://www.genome.jp/dbget-bin/www_bget?dr:D08454
1175,D02179, Pyridoxine hydrochloride (JP17/USP), Other plain vitamin preparations,A11HA02,ALIMENTARY TRACT AND METABOLISM,c1(c(cnc(c1O)C)CO)CO,169.178,0.0802,43.4816,73.58,15,3,4,LXNHXLLTXMVWPM-UHFFFAOYSA-N,C8H11NO3,OCc1c(CO)cnc(c1O)C,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",-2.9209,-2.9148,-2.0501,-1.3068,-1.2997,-1.2532,1.2475,1.2595,1.2968,1.3295,1.3689,D02179_A11HA02,20000000000000c000000200040040000000000040000008000800800024040004004000000080204080000820000040000002400000200004000002000000000c200c0a00000200008020000408008000080040040000005000000000014000000820000000000004c000002010040010020410004100600808004802000000,0000001c02b001,011800000000000000000000000000000000000000019000000000000000000000000600403000,0000000000001000010002470318014105c7a2dd1f,0,6,17,0,0,2,23,23,-9.648,-0.111,0,-1.0,0.0073941480000000006,-,0.2424,-,0.2424,https://www.genome.jp/dbget-bin/www_bget?dr:D02179
1176,D02332, Tocopherol (JP17), Other plain vitamin preparations,A11HA03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)cc(c(c2C)C)O,416.68,8.5318,134.305,29.46,50,1,2,QUEDXNHFTDJVIY-DQCZWYHMSA-N,C28H48O2,CC(CCCC(CCCC(C)C)C)CCCC1(C)CCc2c(O1)c(C)c(c(c2)O)C,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",-1.0182,-0.4594,-0.4397,-0.4117,-0.39899999999999997,-0.3857,0.3102,0.3169,0.4419,0.4597,0.4853,D02332_A11HA03,000400020000020002400200020300000000000000000800000000c000000000100040004000000100000008000100000102020000204800008000220000800008200800010000118000a00002008000408800400000100840080800000900000002000000000002000000c201100800000301000a0100201800004300000004,0000000452b001,070002000000000000000000000000000000000000010000000000000000000000004600402004,00000000000000010202000412892dc009d5b5d41e,0,6,73,0,0,12,78,79,-8.593,0.539,3,,0.9865446090000001,-,1.9321,-,1.9321,https://www.genome.jp/dbget-bin/www_bget?dr:D02332
1177,D01406, Tocopherol calcium succinate (JP17), Other plain vitamin preparations,A11HA03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c(c(c(c2C)C)OC(=O)CCC(=O)O)C,530.779,8.9048,160.13299999999998,72.83,58,1,5,IELOKBJPULMYRW-NJQVLOCASA-N,C33H54O5,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C,"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1",-4.6044,-4.3787,-4.2546,-1.72,-1.577,-1.4843,1.1874,1.2751,1.3292,2.0659,2.3389,D01406_A11HA03,000400120000020002400200020300000100000000000800010000c0000000001000400040400011000a0008000100000102020000204810008100220000820008200800210001118000a02002828004409800400000100840080800000900000002000000100002000000c201102800000301000a0100201800004300000404,0400000c50b007,070002000000000000009800000000000000000000000000000000000000000000004600402805,00000000000000010202000292892de489ddb7d61e,0,6,85,2,0,17,92,93,-4.544,2.381,3,,0.786816478,-,3.0028,-,3.0028,https://www.genome.jp/dbget-bin/www_bget?dr:D01406
1178,D01530, Tocopherol nicotinate (JP17), Other plain vitamin preparations,A11HA03,ALIMENTARY TRACT AND METABOLISM,c1(c(c(c2c(c1C)O[C@@](CC2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)OC(=O)c1cccnc1)C,535.8,9.7488,166.44299999999998,48.42,57,0,4,MSCCTZZBYHQMQJ-AZAGJHQNSA-N,C35H53NO3,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)c1cccnc1)C)CCCC(CCCC(C)C)C,"InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1",-3.9332,-1.5666,-1.5151,-1.0649,-1.0547,-1.0091,0.5091,0.547,0.5557,0.5869,0.7969,D01530_A11HA03,00040012000002c002400200020340000100000000000808012000c0004004001c10c00040408031408a0408000100c0010202000020690004800022000082000c200c02210401118000a120028a8000408800400400100840080800000900100002000000100002004000c201100c00100301000a4100201808804302000004,04000000503005,070002000000000000009000000000004001000000009000000000000000000000004640402004,0000000000000001030200001389ade509d1b7d61f,0,12,81,1,0,15,92,94,-9.027000000000001,-0.527,3,0.0,0.998990119,+,2.8324,-,2.8324,https://www.genome.jp/dbget-bin/www_bget?dr:D01530
1179,D01735, Tocopherol acetate (JP17), Other plain vitamin preparations,A11HA03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c(c(c(c2C)C)OC(=O)C)C,472.74300000000005,9.0599,148.747,35.53,55,0,3,ZAKOWWREFLAJOT-CEFNRUSXSA-N,C31H52O3,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1",-4.428999999999999,-1.5815,-1.018,-0.5251,-0.4316,-0.4014,0.3553,0.365,0.3855,0.4398,0.4487,D01735_A11HA03,000400120000020002400200020300000100000000000800010000c0000000001000400040400011000a0008000100000102020000204800008000220000820008200800210001118000a02002828000408800400000100840080800000900000002000000100002000000c201100800000301000a0100201800004300000004,04000000503005,070002000000000000009000000000000000000000000000000000000000000000004600402805,00000000000000010202000012892de409d1b7d61e,0,6,80,1,0,14,86,87,-8.968,0.455,3,,0.9961595540000001,+,2.3329,-,2.3329,https://www.genome.jp/dbget-bin/www_bget?dr:D01735
1180,D08612, Tocopherol succinate, Other plain vitamin preparations,A11HA03,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c(c(c(c2C)C)OC(=O)CCC(=O)O)C,530.779,8.9048,160.13299999999998,72.83,58,1,5,IELOKBJPULMYRW-NJQVLOCASA-N,C33H54O5,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C,"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1",-4.5662,-4.5028,-4.3904,-1.9062,-1.5715,-1.4836,1.0506,1.0537,1.3288,2.138,2.3997,D08612_A11HA03,000400120000020002400200020300000100000000000800010000c0000000001000400040400011000a0008000100000102020000204810008100220000820008200800210001118000a02002828004409800400000100840080800000900000002000000100002000000c201102800000301000a0100201800004300000404,0400000c50b007,070002000000000000009800000000000000000000000000000000000000000000004600402805,00000000000000010202000292892de489ddb7d61e,0,6,85,2,0,17,92,93,-4.546,2.386,3,1.0,0.7868740559999999,+,3.0717,-,3.0717,https://www.genome.jp/dbget-bin/www_bget?dr:D08612
1181,D00050, Riboflavin (JP17/USP/INN), Other plain vitamin preparations,A11HA04,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c1)C)C)n(c1c(n2)c(=O)[nH]c(=O)[nH]1)C[C@@H]([C@H](O)[C@H](O)CO)O,377.37199999999996,-1.4609999999999999,97.9566,164.46,28,6,8,WMTCBSCLZYUQRI-SCRDCRAPSA-N,C17H21N4O6,OCC(C(C(Cn1c2cc(C)c(cc2nc2c1[nH]c(=O)[nH]c2=O)C)O)O)O,"InChI=1S/C17H21N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,19,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",-5.3114,-4.5809,-4.5761,-4.4787,-4.1687,-3.8702,2.5574,2.5907,2.6321,2.6488,3.432,D00050_A11HA04,002a000001401a0011000400000000080000001000000000000000000330010018001002a300000710060b3000010200010200001020c003010000001000003008000800000018800120000102b0000b0030014002002002a00102000000000008200020040000000000000080003800000c0004000010000034000310000000,0400003c00a041,073840018001000003008000000000000040040000000000000000000000000000004400402804,000000003004300080d4124f9b739cc38d6ffbff1d,0,0,57,2,0,5,57,59,-13.482000000000001,-6.047999999999999,3,0.0,0.000706155,-,1.3536,-,1.3536,https://www.genome.jp/dbget-bin/www_bget?dr:D00050
1182,D01622, Riboflavin sodium phosphate (JP17), Other plain vitamin preparations,A11HA04,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c1)C)C)n(c1c(n2)c(=O)[nH]c(=O)[nH]1)C[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)O,457.352,-1.344,108.867,220.8,30,7,11,HTVUNYQZVLVLNA-SCRDCRAPSA-N,C17H22N4O9P,O=c1[nH]c(=O)c2c([nH]1)n(CC(C(C(COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C,"InChI=1S/C17H22N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,19,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",-10.5445,-10.5173,-10.258,-7.4902,-5.2945,-4.6534,3.0346,3.4385,3.4826,3.6167,5.0760000000000005,D01622_A11HA04,00aa000001405a0115000400000000080000011000000002000000000330010018001002a3000007100e0b3400010200035200001020c0030100000030000a30080a0800000018802120020102b0000b0030014002002002a00102000000000008200020044000000000000084003800000e0004000510000034000310000000,0400002c00a041,072840018001000003008000000000000040040000000000000000000010200000004400402804,000000103084300090d4104fbbf39ceb8f6ffbff1d,0,0,61,3,0,7,62,64,-3.638,-2.147,3,0.0,7.26179e-11,-,1.6456,-,1.6456,https://www.genome.jp/dbget-bin/www_bget?dr:D01622
1183,D01913, Riboflavin butyrate (JP17), Other plain vitamin preparations,A11HA04,ALIMENTARY TRACT AND METABOLISM,n1(c2c(nc3c1[nH]c(=O)[nH]c3=O)cc(c(c2)C)C)C[C@H](OC(=O)CCC)[C@@H]([C@H](OC(=O)CCC)COC(=O)CCC)OC(=O)CCC,657.7310000000001,3.943,175.361,188.74,56,2,12,RMIFKBIDILZVEJ-BBANNHEPSA-N,C33H45N4O10,CCCC(=O)OCC(C(C(Cn1c2cc(C)c(cc2nc2c1[nH]c(=O)[nH]c2=O)C)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC,"InChI=1S/C33H45N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30,35H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1",-5.2709,-4.6254,-4.5715,-4.46,-4.4347,-4.4266,2.4002,2.5043,2.5703,2.6293,3.4665,D01913_A11HA04,002a000001401a001f00040000020008210000100002000000000000033401101800100aa3000017100e0b3020010200010200001020c013010000001000a63008900800081018800120080102b0000f00b0014002002002a001020100200000482000200400000000000000c0003800000f2184080710000034000350000000,0400000030a045,070040010000000003009000000000000040040000000000000000000000000000004400402805,000000003004300080d4104f9b73bee78d7bffff1d,0,0,97,6,0,21,101,103,-13.18,-5.954,3,2.0,0.026667776,+,5.9458,-,5.9458,https://www.genome.jp/dbget-bin/www_bget?dr:D01913
1184,D05725, Riboflavin 5'-phosphate sodium (USP), Other plain vitamin preparations,A11HA04,ALIMENTARY TRACT AND METABOLISM,c12c(cc(c(c1)C)C)n(c1c(n2)c(=O)[nH]c(=O)[nH]1)C[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)O,457.352,-1.344,108.867,220.8,30,7,11,HTVUNYQZVLVLNA-SCRDCRAPSA-N,C17H22N4O9P,O=c1[nH]c(=O)c2c([nH]1)n(CC(C(C(COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C,"InChI=1S/C17H22N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,19,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",-10.5574,-10.5159,-10.252,-7.5138,-5.319,-4.5851,3.06,3.4387,3.4788,3.583,5.0396,D05725_A11HA04,00aa000001405a0115000400000000080000011000000002000000000330010018001002a3000007100e0b3400010200035200001020c0030100000030000a30080a0800000018802120020102b0000b0030014002002002a00102000000000008200020044000000000000084003800000e0004000510000034000310000000,0400002c00a041,072840018001000003008000000000000040040000000000000000000010200000004400402804,000000103084300090d4104fbbf39ceb8f6ffbff1d,0,0,61,3,0,7,62,64,-3.682,-2.131,3,0.0,7.6475e-11,-,1.6456,-,1.6456,https://www.genome.jp/dbget-bin/www_bget?dr:D05725
1185,D00029, Biotin (JP17/USP/INN), Other plain vitamin preparations,A11HA05,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H](NC(=O)N2)CS[C@H]1CCCCC(=O)O,244.31099999999998,1.4544,69.3412,103.73,21,3,6,YBJHBAHKTGYVGT-ZKWXMUAHSA-N,C10H16N2O3S,OC(=O)CCCCC1SCC2C1NC(=O)N2,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",-5.2778,-5.2482,-4.6273,-4.5771,-4.4366,-3.8414,1.8090000000000002,2.3902,2.556,2.5818,2.5937,D00029_A11HA05,0002010300000a002100040000000008200000100040000000000000000001001800300800030001100e0530000100c0010100006020400000200000001000040800080000000000000184000c9001040010074000002000c04000020000200400200000040000000000000000000800400c1000000010200030004700000100,0400000c00a143,020001001000000000008800000000000040040000000000000000000000000000004400402804,0000000018042000005085869063b0c58d65467f19,0,0,31,2,0,5,32,33,-4.349,1.909,3,1.0,6.75173e-06,-,1.1739,-,1.1739,https://www.genome.jp/dbget-bin/www_bget?dr:D00029
1186,D07586, Biotin sodium salt, Other plain vitamin preparations,A11HA05,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@@H](NC(=O)N2)CS[C@H]1CCCCC(=O)O,244.31099999999998,1.4544,69.3412,103.73,21,3,6,YBJHBAHKTGYVGT-ZKWXMUAHSA-N,C10H16N2O3S,OC(=O)CCCCC1SCC2C1NC(=O)N2,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",-5.2859,-5.2855,-4.6516,-4.5705,-4.4277,-3.85,1.7707,2.3662,2.4165,2.5966,2.5978,D07586_A11HA05,0002010300000a002100040000000008200000100040000000000000000001001800300800030001100e0530000100c0010100006020400000200000001000040800080000000000000184000c9001040010074000002000c04000020000200400200000040000000000000000000800400c1000000010200030004700000100,0400000c00a143,020001001000000000008800000000000040040000000000000000000000000000004400402804,0000000018042000005085869063b0c58d65467f19,0,0,31,2,0,5,32,33,-4.2780000000000005,1.942,3,0.0,5.86922e-06,-,1.1465,-,1.1465,https://www.genome.jp/dbget-bin/www_bget?dr:D07586
1187,D00006, Pyridoxal phosphate hydrate (JAN), Other plain vitamin preparations,A11HA06,ALIMENTARY TRACT AND METABOLISM,c1(c(c(c(nc1)C)O)C=O)COP(=O)(O)O,247.142,0.5174,53.6516,126.76,15,3,7,NGVDGCNFYWLIFO-UHFFFAOYSA-N,C8H10NO6P,O=Cc1c(COP(=O)(O)O)cnc(c1O)C,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",-10.5362,-10.5346,-10.2549,-7.5063,-2.8122,-2.3803,3.0222,3.0338,3.4464,3.5837,5.0774,D00006_A11HA06,20800000000000c00000020006004000000001004000000a00000080002404000408c00000008020408b000c20100040020002000000200004002002200000000c200e0a0000020020802200048800800008004004000018d001000000010000040020000040001004c002002410040018020410024100620818004802000000,0c00000402b001,01000000008000000000000000000000c001000000019000000000000010200000000640403800,0000001000840000110000472392016986cdaadf1f,0,6,18,2,0,4,26,26,0.42200000000000004,4.2,0,1.0,2.07866e-22,-,0.2141,-,0.2141,https://www.genome.jp/dbget-bin/www_bget?dr:D00006
1188,D03281, Pyridoxal calcium phosphate (JAN), Other plain vitamin preparations,A11HA06,ALIMENTARY TRACT AND METABOLISM,c1(c(c(c(nc1)C)O)C=O)COP(=O)(O)O,247.142,0.5174,53.6516,126.76,15,3,7,NGVDGCNFYWLIFO-UHFFFAOYSA-N,C8H10NO6P,O=Cc1c(COP(=O)(O)O)cnc(c1O)C,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",-10.5431,-10.5372,-10.262,-7.5,-2.8417,-2.3775,3.0028,3.012,3.4702,3.6008,5.0567,D03281_A11HA06,20800000000000c00000020006004000000001004000000a00000080002404000408c00000008020408b000c20100040020002000000200004002002200000000c200e0a0000020020802200048800800008004004000018d001000000010000040020000040001004c002002410040018020410024100620818004802000000,0c00000402b001,01000000008000000000000000000000c001000000019000000000000010200000000640403800,0000001000840000110000472392016986cdaadf1f,0,6,18,2,0,4,26,26,0.424,4.2010000000000005,0,1.0,2.0712299999999997e-22,-,0.2141,-,0.2141,https://www.genome.jp/dbget-bin/www_bget?dr:D03281
1189,D08079, Inositol (DCF), Other plain vitamin preparations,A11HA07,ALIMENTARY TRACT AND METABOLISM,[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O,180.15599999999998,-3.8346,35.8128,121.38,18,6,6,CDAISMWEOUEBRE-GPIVLXJGSA-N,C6H12O6,OC1C(O)C(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",-2.1021,-1.9955,-1.9685,-1.9208,-1.9188,-1.911,2.1805,2.3525,2.3582,2.3925,2.3945,D08079_A11HA07,0000000000000000000000000000000000000000000000000000000000000000100000000000000500000000000000000100000000204003000000000000000008000800000000000000800200000000000000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000000,0000002c00a001,002800000001000000000000000000000000000000000000000000000000000000000000400004,00000000000030008000000100000040044ca2501c,0,0,24,0,0,0,24,24,-10.472999999999999,2.259,0,0.0,0.000167325,-,0.4282,+,0.4282,https://www.genome.jp/dbget-bin/www_bget?dr:D08079
1190,D06174, Tocophersolan (USAN), Other plain vitamin preparations,A11HA08,ALIMENTARY TRACT AND METABOLISM,c12c(CC[C@](O1)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)c(c(c(c2C)C)OC(=O)CCC(=O)OCCO)C,574.831,8.3557,170.422,82.06,64,1,6,AOBORMOPSGHCAX-SFXKCFQESA-N,C35H58O6,OCCOC(=O)CCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C,"InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3/t25-,26-,35+/m0/s1",-4.3809,-4.1557,-3.0653,-1.9246,-1.5823,-1.4772,0.8525,1.1313,1.1363,1.345,1.5184,D06174_A11HA08,000400120000020002400200020300002100000000000800010000c0000400001000400840400015000a0008200100000102020000204810008100220000820008b00800210001118000a02002828004409800400000100840080800000900000002000000100002000000c201102800000301000a0500201800004300000404,0400001c70b005,071802000000000000009000000000000000000000000000000000000000000000004600402805,00000000000000018202020092992de489dfb7d71e,0,6,92,2,0,20,99,100,-9.232000000000001,0.196,3,0.0,0.991441369,+,3.5856,-,3.5856,https://www.genome.jp/dbget-bin/www_bget?dr:D06174
1191,D00193, Dexpanthenol (USP/INN), Other plain vitamin preparations,A11HA30,ALIMENTARY TRACT AND METABOLISM,OCC([C@H](C(=O)NCCCO)O)(C)C,205.25099999999998,-0.7447,51.6041,89.79,24,4,5,SNPLKNRPJHDVJA-ZETCQYMHSA-N,C9H19NO4,OCCCNC(=O)C(C(CO)(C)C)O,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1",-4.2931,-3.8429,-3.8367,-2.3286,-2.3132,-2.1638,1.6303,1.6414,1.7902,2.4281,2.5632,D00193_A11HA30,002a00000000000001000400000000000000001000000000000000000100000018000000800000030006101000000000010200000000c001000000000000001008000800000008000000000002800004005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a000,0b38000000000000000080000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034000c0ed6ff09,0,0,31,1,0,7,33,32,-10.224,1.182,1,,,+,0.3473,-,0.3473,https://www.genome.jp/dbget-bin/www_bget?dr:D00193
1192,D00193, Dexpanthenol (USP/INN), Other cicatrizants,D03AX03,DERMATOLOGICALS,OCC([C@H](C(=O)NCCCO)O)(C)C,205.25099999999998,-0.7447,51.6041,89.79,24,4,5,SNPLKNRPJHDVJA-ZETCQYMHSA-N,C9H19NO4,OCCCNC(=O)C(C(CO)(C)C)O,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1",-4.316,-3.8526,-3.8359,-2.3254,-2.318,-2.1776,1.5486,1.6477,1.6601,1.8056,2.5713,D00193_D03AX03,002a00000000000001000400000000000000001000000000000000000100000018000000800000030006101000000000010200000000c001000000000000001008000800000008000000000002800004005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a000,0b38000000000000000080000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034000c0ed6ff09,0,0,31,1,0,7,33,32,-10.224,1.182,1,,,+,0.3473,-,0.3473,https://www.genome.jp/dbget-bin/www_bget?dr:D00193
1193,D00193, Dexpanthenol (USP/INN), Other ophthalmologicals,S01XA12,SENSORY ORGANS,OCC([C@H](C(=O)NCCCO)O)(C)C,205.25099999999998,-0.7447,51.6041,89.79,24,4,5,SNPLKNRPJHDVJA-ZETCQYMHSA-N,C9H19NO4,OCCCNC(=O)C(C(CO)(C)C)O,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1",-4.3288,-3.8354,-3.7822,-2.3182,-2.2841,-2.157,1.4526,1.4844,1.5611,1.7905,2.6189999999999998,D00193_S01XA12,002a00000000000001000400000000000000001000000000000000000100000018000000800000030006101000000000010200000000c001000000000000001008000800000008000000000002800004005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a000,0b38000000000000000080000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034000c0ed6ff09,0,0,31,1,0,7,33,32,-10.224,1.182,1,,,+,0.3473,-,0.3473,https://www.genome.jp/dbget-bin/www_bget?dr:D00193
1194,D01082, Calcium pantothenate (JP17/USP/INN), Other plain vitamin preparations,A11HA31,ALIMENTARY TRACT AND METABOLISM,[C@@H](C(CO)(C)C)(C(=O)NCCC(=O)O)O,219.235,-0.6524,52.2141,106.86,22,4,6,GHOKWGTUZJEAQD-ZETCQYMHSA-N,C9H17NO5,OCC(C(C(=O)NCCC(=O)O)O)(C)C,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",-4.5864,-4.3805,-4.3488,-3.8284,-3.7947,-2.3234,1.9925,2.0546,2.189,2.3674,2.4237,D01082_A11HA31,002a0000000000000100040000000000000000100000000000000000011000001800000080000003000e101000000000010200001000c00101000000000000100800080000000800000000000280000c005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a002,0b38000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034048c0ed6ff09,0,0,29,2,0,7,32,31,-4.49,3.862,1,,,-,0.4871,-,0.4871,https://www.genome.jp/dbget-bin/www_bget?dr:D01082
1195,D01082, Calcium pantothenate (JP17/USP/INN), Other cicatrizants,D03AX04,DERMATOLOGICALS,[C@@H](C(CO)(C)C)(C(=O)NCCC(=O)O)O,219.235,-0.6524,52.2141,106.86,22,4,6,GHOKWGTUZJEAQD-ZETCQYMHSA-N,C9H17NO5,OCC(C(C(=O)NCCC(=O)O)O)(C)C,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",-4.5592,-4.4267,-4.3466,-3.8247,-3.7963,-2.3286,1.9809999999999999,2.0569,2.206,2.3631,2.4134,D01082_D03AX04,002a0000000000000100040000000000000000100000000000000000011000001800000080000003000e101000000000010200001000c00101000000000000100800080000000800000000000280000c005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a002,0b38000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034048c0ed6ff09,0,0,29,2,0,7,32,31,-4.49,3.862,1,,,-,0.4871,-,0.4871,https://www.genome.jp/dbget-bin/www_bget?dr:D01082
1196,D03300," Calcium pantothenate, racemic (USP)", Other plain vitamin preparations,A11HA31,ALIMENTARY TRACT AND METABOLISM,[C@@H](C(CO)(C)C)(C(=O)NCCC(=O)O)O,219.235,-0.6524,52.2141,106.86,22,4,6,GHOKWGTUZJEAQD-ZETCQYMHSA-N,C9H17NO5,OCC(C(C(=O)NCCC(=O)O)O)(C)C,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",-4.5852,-4.3578,-4.3197,-3.8178,-3.8098,-2.3341,2.2005,2.3513,2.3781,2.4348,2.5312,D03300_A11HA31,002a0000000000000100040000000000000000100000000000000000011000001800000080000003000e101000000000010200001000c00101000000000000100800080000000800000000000280000c005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a002,0b38000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034048c0ed6ff09,0,0,29,2,0,7,32,31,-4.49,3.8569999999999998,1,0.0,,-,0.4824,-,0.4824,https://www.genome.jp/dbget-bin/www_bget?dr:D03300
1197,D03300," Calcium pantothenate, racemic (USP)", Other cicatrizants,D03AX04,DERMATOLOGICALS,[C@@H](C(CO)(C)C)(C(=O)NCCC(=O)O)O,219.235,-0.6524,52.2141,106.86,22,4,6,GHOKWGTUZJEAQD-ZETCQYMHSA-N,C9H17NO5,OCC(C(C(=O)NCCC(=O)O)O)(C)C,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",-4.5525,-4.4554,-4.3397,-3.8243,-3.8001,-2.3305,2.0823,2.3706,2.408,2.4564,2.622,D03300_D03AX04,002a0000000000000100040000000000000000100000000000000000011000001800000080000003000e101000000000010200001000c00101000000000000100800080000000800000000000280000c005000400000200080000000000000000000002000000000000000008000100000040000000010000010000000000400,0400003c00a002,0b38000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030008202024f89f034048c0ed6ff09,0,0,29,2,0,7,32,31,-4.49,3.8569999999999998,1,0.0,,-,0.4824,-,0.4824,https://www.genome.jp/dbget-bin/www_bget?dr:D03300
1198,D01234, Pantethine (JP17), Other plain vitamin preparations,A11HA32,ALIMENTARY TRACT AND METABOLISM,C(C([C@@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)O)(C)C)O,554.721,-0.0648,139.184,247.92,56,8,14,DJWYOLJPSHDSAL-HDICACEKSA-N,C22H42N4O8S2,OCC(C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(CO)(C)C)O)O)(C)C,"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18+",-4.352,-4.3442,-4.3254,-4.3216,-3.8616,-3.8447,2.2211,2.391,2.5886,2.6082,2.6104,D01234_A11HA32,002a4102000000001100040000000000000000100000000000008000001000001800000400040003000608104000000001030c001000400101000000000000100800080000000800000004000680000c0050004000002000a0010302000000000000002000000000000100008000100000041040000010401014000000000400,0400003c00a200,0b38000040000000000080000a0000000000000000000000000000800000000000000000402804,00200000000030008682824f89f034888d3ed6ff09,0,0,73,4,0,23,78,77,-9.133,-2.185,2,0.0,,-,3.7641,-,3.7641,https://www.genome.jp/dbget-bin/www_bget?dr:D01234
1199,D00937," Calcium phosphate, dihydrate, dibasic (", Calcium,A12AA01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3672,-10.0227,-9.7162,-9.7162,-2.4054,-2.4023,3.3739,3.6109,3.6134,4.9917,5.0251,D00937_A12AA01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.78,0,,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D00937
1200,D00938, Tricalcium phosphate, Calcium,A12AA01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3629,-10.0099,-9.7162,-9.7162,-2.498,-2.2835,3.4284,3.5812,3.6425,4.8703,5.005,D00938_A12AA01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.78,0,-2.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D00938
1201,D03302," Dibasic calcium phosphate, anhydrous (J", Calcium,A12AA01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3675,-10.0136,-9.7162,-9.7162,-2.4923,-2.1666,3.4285,3.5849,3.6401,4.8511,5.0053,D03302_A12AA01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.78,0,0.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D03302
1202,D03303," Calcium phosphate, tribasic (NF)", Calcium,A12AA01,ALIMENTARY TRACT AND METABOLISM,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3655,-10.0116,-9.7162,-9.7162,-2.4943,-2.2294,3.4283,3.5825,3.6419,4.8612,5.0049,D03303_A12AA01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.78,0,0.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D03303
1203,D03294, Calcium glubionate (USP/INN), Calcium,A12AA02,ALIMENTARY TRACT AND METABOLISM,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO,358.296,-5.6689,70.9202,217.6,33,9,12,JYTUSYBCFIZPBE-AMTLMPIISA-N,C12H22O12,OCC(C(C(C(C(=O)O)O)O)OC1OC(CO)C(C(C1O)O)O)O,"InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1",-4.5222,-4.4811,-3.1463,-3.089,-2.7704,-2.6288,2.3219,2.3694,2.4233,2.4516,2.4584,D03294_A12AA02,000000000000a0000000000000020000200000240000000000000000000400001000000800000005000a0000200010000100000000a04011000100000000800008902a0000000000000080022880001400d000400000000020000001000020000000000800280000000000004000288000010100000000000000000140000500,0400003c30a003,003800000001804000008800000000200000000000000000000000000000000000000437402804,000000000000300180000207821000640c4fa2571c,0,0,45,1,0,8,46,46,-4.446000000000001,3.262,9,1.0,5.37363e-08,-,0.6531,-,0.6531,https://www.genome.jp/dbget-bin/www_bget?dr:D03294
1204,D00935, Calcium gluconate (USP), Calcium,A12AA03,ALIMENTARY TRACT AND METABOLISM,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.574,-4.3867,-2.8281,-2.6386,-2.343,-2.1795,2.3608,2.3703,2.3963,2.4244,2.4423,D00935_A12AA03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.703,5.0760000000000005,4,-2.0,,-,0.5742,-,0.5742,https://www.genome.jp/dbget-bin/www_bget?dr:D00935
1205,D00935, Calcium gluconate (USP), Other dermatologicals,D11AX03,DERMATOLOGICALS,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.5677,-4.453,-2.6365,-2.3313,-2.1787,-1.9136,2.2807,2.3666,2.3972,2.4109,2.4706,D00935_D11AX03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.703,5.0760000000000005,4,-2.0,,-,0.5742,-,0.5742,https://www.genome.jp/dbget-bin/www_bget?dr:D00935
1206,D05463, Calcium gluconate hydrate (JP17), Calcium,A12AA03,ALIMENTARY TRACT AND METABOLISM,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.5199,-4.4784,-2.8862,-2.7165,-2.2835,-1.9744,2.3890000000000002,2.4105,2.4106,2.4997,2.5432,D05463_A12AA03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.702,5.079,4,0.0,,-,0.5742,-,0.5742,https://www.genome.jp/dbget-bin/www_bget?dr:D05463
1207,D05463, Calcium gluconate hydrate (JP17), Other dermatologicals,D11AX03,DERMATOLOGICALS,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.4965,-4.4915,-2.8292,-2.7156,-2.2773,-2.0355,2.3644,2.3691,2.3843,2.4278,2.4795,D05463_D11AX03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.702,5.079,4,0.0,,-,0.5742,-,0.5742,https://www.genome.jp/dbget-bin/www_bget?dr:D05463
1208,D00936, Calcium lactate (USP), Calcium,A12AA05,ALIMENTARY TRACT AND METABOLISM,[C@@H](C(=O)O)(C)O,90.0779,-0.5482,19.4686,57.53,8,2,3,JVTAAEKCZFNVCJ-REOHCLBHSA-N,C3H6O3,OC(=O)C(O)C,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",-4.5645,-4.4177,-2.6407,-2.3426,-1.4936,-1.33,1.6138,1.7463,2.0340000000000003,2.1136,2.3595,D00936_A12AA05,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000000000000000000000000000000000008000800000000000000000000800000005000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400002c00a002,012800000000000000008800000000200000000000000000000000000000000000000000402804,00000000000020008000000000000004040482d208,0,0,10,1,0,1,12,11,-4.244,7.6160000000000005,1,1.0,,+,0.8231,-,0.8231,https://www.genome.jp/dbget-bin/www_bget?dr:D00936
1209,D02254, Calcium lactate hydrate (JP17), Calcium,A12AA05,ALIMENTARY TRACT AND METABOLISM,[C@@H](C(=O)O)(C)O,90.0779,-0.5482,19.4686,57.53,8,2,3,JVTAAEKCZFNVCJ-REOHCLBHSA-N,C3H6O3,OC(=O)C(O)C,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",-4.5644,-4.4177,-2.6407,-2.3426,-1.4933,-1.33,1.6136,1.7463,2.0339,2.1137,2.3595,D02254_A12AA05,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000000000000000000000000000000000008000800000000000000000000800000005000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400002c00a002,012800000000000000008800000000200000000000000000000000000000000000000000402804,00000000000020008000000000000004040482d208,0,0,10,1,0,1,12,11,-4.244,7.617000000000001,1,,,+,0.8231,-,0.8231,https://www.genome.jp/dbget-bin/www_bget?dr:D02254
1210,D00934, Calcium gluceptate (USP), Calcium,A12AA10,ALIMENTARY TRACT AND METABOLISM,[C@@H]([C@H]([C@@H](C(=O)O)O)O)([C@@H]([C@@H](CO)O)O)O,226.18099999999998,-4.1322,44.5056,158.68,21,7,8,KWMLJOLKUYYJFJ-DVKNGEFBSA-N,C7H14O8,OCC(C(C(C(C(C(=O)O)O)O)O)O)O,"InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4+,5-,6+/m1/s1",-4.5745,-4.4534,-2.6811,-2.3252,-2.1386,-1.9115,2.3201,2.3556,2.3854,2.3941,2.5001,D00934_A12AA10,00000000000002000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,27,1,0,6,29,28,-4.795,4.77,5,1.0,,+,0.6026,-,0.6026,https://www.genome.jp/dbget-bin/www_bget?dr:D00934
1211,D00933, Calcium citrate (USP), Calcium,A12AA13,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6063,-4.5961,-4.5544,-4.428,-4.3814,-4.3729,2.3713,2.3718,2.3886,2.4099,2.4218,D00933_A12AA13,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.365,13.796,0,1.0,,-,0.8158,-,0.8158,https://www.genome.jp/dbget-bin/www_bget?dr:D00933
1212,D05578, Potassium citrate (USP), Potassium,A12BA02,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6047,-4.5786,-4.5785,-4.4348,-4.4205,-4.419,2.3626,2.3673,2.3785,2.3888,2.4645,D05578_A12BA02,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.8,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D05578
1213,D01561, Potassium bitartrate (USP), Potassium,A12BA03,ALIMENTARY TRACT AND METABOLISM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,150.08700000000002,-2.1226,27.2092,115.06,10,4,6,FEWJPZIEWOKRBE-JCYAYHJZSA-N,C4H6O6,OC(C(C(=O)O)O)C(=O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",-4.5489999999999995,-4.5327,-4.4489,-4.4073,-2.7212,-2.6971,2.3529,2.3645,2.4645,2.4758,2.4859,D01561_A12BA03,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000000800014005000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000400,0400002c00a002,002800000001000000008800000000200000000000000000000000000000000000000000402804,00000000000030008000000100000004840c825208,0,0,13,2,0,3,16,15,-1.196,10.625,2,0.0,,+,0.8064,-,0.8064,https://www.genome.jp/dbget-bin/www_bget?dr:D01561
1214,D02077, Potassium bicarbonate (USP), Potassium,A12BA04,ALIMENTARY TRACT AND METABOLISM,O=C(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1077,-6.1077,-5.8861,-1.8078,-1.8078,-1.5615,0.9813,2.3631,2.3631,2.7796,3.4071,D02077_A12BA04,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.366,16.432000000000002,0,,0.0,-,0.9295,-,0.9295,https://www.genome.jp/dbget-bin/www_bget?dr:D02077
1215,D01298, Potassium gluconate (JAN/USP), Potassium,A12BA05,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.5265,-4.4491,-2.6703,-2.6587,-2.3169,-2.2059,2.3787,2.4296,2.431,2.469,2.4714,D01298_A12BA05,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.68,5.141,4,,,+,0.6395,-,0.6395,https://www.genome.jp/dbget-bin/www_bget?dr:D01298
1216,D01081, Zinc sulfate hydrate (JP17), Zinc,A12CB01,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8262,-10.8254,-10.2272,-10.2271,-1.7394,-1.7393,2.6002,2.6003,2.6003,2.6766,5.6506,D01081_A12CB01,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,0.0,2.3500200000000002e-32,+,1.2177,-,1.2177,https://www.genome.jp/dbget-bin/www_bget?dr:D01081
1217,D06371, Zinc sulfate (USP), Zinc,A12CB01,ALIMENTARY TRACT AND METABOLISM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.825999999999999,-10.8255,-10.2271,-10.227,-1.7394,-1.7393,2.6002,2.6002,2.6003,2.6766,5.6505,D06371_A12CB01,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,1.0,2.3500200000000002e-32,+,1.0484,-,1.0484,https://www.genome.jp/dbget-bin/www_bget?dr:D06371
1218,D02390, Zinc gluconate (USP), Zinc,A12CB02,ALIMENTARY TRACT AND METABOLISM,OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.5638,-4.4408,-2.697,-2.6376,-2.3414,-2.1554,2.3662,2.3709,2.3793,2.3828,2.3863,D02390_A12CB02,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-5.033,5.544,4,1.0,,+,0.6581,-,0.6581,https://www.genome.jp/dbget-bin/www_bget?dr:D02390
1219,D04835, Magnesium gluconate (USP), Magnesium,A12CC03,ALIMENTARY TRACT AND METABOLISM,[C@H]([C@@H]([C@@H](CO)O)O)([C@H](C(=O)O)O)O,196.155,-3.4931,38.5368,138.45,17,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.5506,-4.4414,-3.0022,-2.6477,-2.3374,-2.1968,2.2863,2.3643,2.3688,2.4348,2.4402,D04835_A12CC03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-0.513,8.971,4,,,+,0.5768,-,0.5768,https://www.genome.jp/dbget-bin/www_bget?dr:D04835
1220,D02026, Magnesium L-aspartate (JAN), Magnesium,A12CC05,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@H](CC(=O)O)[NH3+],134.111,-1.8438,28.8507,102.24,10,3,4,CKLJMWTZIZZHCS-REOHCLBHSA-O,C4H8NO4+,OC(=O)CC(C(=O)O)[NH3+],"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p+1/t2-/m0/s1",-5.3925,-5.3582,-5.3357,-4.6109,-4.6065,-4.5415,2.3605,2.3613,2.3718,2.3719,2.6438,D02026_A12CC05,00000000000000000000040002000000000000000000000000000000000000001000000000000003000a001000000000010000000000c00000000000000000000800080000000000000000000080000c003000400000000000000000000000000000000000000000000000000000200000040000000000000000000000000400,0500000c00e002,0200c0000400000000008800000000100000000000000000000000000000000000000000c02a04,000000000000310000000042814000048c0c427e09,0,0,14,2,0,3,17,16,-5.175,3.534,1,,,-,0.7978,+,0.7978,https://www.genome.jp/dbget-bin/www_bget?dr:D02026
1221,D07456, Androstanolone (INN), Androstan derivatives,A14AA01,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C)C,290.44,3.9591,85.8328,37.3,32,1,2,NVKAWKQGWWIWPM-ABEVXSGRSA-N,C19H30O2,O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",-3.8911,-2.9924,-1.9606,-0.6865,-0.4822,-0.3048,0.247,0.261,0.2833,0.4527,0.7448,D07456_A14AA01,0000000000000200000000010000000000000000000000000000000000000000100000000000000100020000000000000100000000204002000000000000000008000800000000000000800008800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,1400002c00a001,0f2800000000010000000000000000000000000000000000000000000000000000004000400805,00000000000000000200008690892cc00944b5d21c,0,0,53,1,0,0,51,54,-10.3,0.7979999999999999,7,1.0,0.47918382299999995,-,1.5421,-,1.5421,https://www.genome.jp/dbget-bin/www_bget?dr:D07456
1222,D07456, Androstanolone (INN), 5-androstanon (3) derivatives,G03BB02,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C)C,290.44,3.9591,85.8328,37.3,32,1,2,NVKAWKQGWWIWPM-ABEVXSGRSA-N,C19H30O2,O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",-3.0376,-1.9697,-0.7196,-0.5567,-0.3215,-0.2118,0.2569,0.2617,0.2899,0.4972,0.8145,D07456_G03BB02,0000000000000200000000010000000000000000000000000000000000000000100000000000000100020000000000000100000000204002000000000000000008000800000000000000800008800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,1400002c00a001,0f2800000000010000000000000000000000000000000000000000000000000000004000400805,00000000000000000200008690892cc00944b5d21c,0,0,53,1,0,0,51,54,-10.3,0.7979999999999999,7,1.0,0.47918382299999995,-,1.5421,-,1.5421,https://www.genome.jp/dbget-bin/www_bget?dr:D07456
1223,D00444, Stanozolol (JAN/USP/INN), Androstan derivatives,A14AA02,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]([C@H]3[C@](CC2)([C@@](CC3)(C)O)C)CC[C@@H]2[C@@]1(Cc1c(C2)[nH]nc1)C,328.49199999999996,4.1181,97.6555,48.91,34,2,2,LKAJKIOFIWVMDJ-IYRCEVNGSA-N,C21H32N2O,CC12Cc3cn[nH]c3CC1CCC1C2CCC2(C1CCC2(C)O)C,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1",-2.245,-1.9074,-1.3485,-1.0552,-1.0409,-0.7365,0.3624,0.6355,0.6606,0.8046,0.8167,D00444_A14AA02,200000000000020002400201060000008000000000001200010000000020000010000000004880050000000000001000410022000020400200000006000200000c200c00200800000000a00000000008402000400080100000000c00000800000102000000200000020000400001080110028000820100200800004300000000,0000004c00b001,0f4800000000000000000000000000000000000000009400000000000000000000004600401004,0000000000000800138004a690c9acc90df5f5981f,0,5,55,0,0,0,56,60,-9.43,1.037,7,-2.0,0.652614892,+,1.7783,-,1.7783,https://www.genome.jp/dbget-bin/www_bget?dr:D00444
1224,D00389, Metandienone (INN), Androstan derivatives,A14AA03,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)C=C3)CC2)C)CC[C@]2([C@H]1CC[C@]2(C)O)C,300.435,4.0453,89.7298,37.3,30,1,2,XWALNWXLMVGSFR-HLXURNFRSA-N,C20H28O2,O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",-3.6477,-1.9273,-1.1024,-0.9225,-0.9183,-0.7449,0.6089,0.669,0.6775,0.7392,0.8194,D00389_A14AA03,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000100020000204102000000000000000008000800000400000000800000800200000000400000000000001000000000010204000280000000000000000000080000000800000000000000000102000000,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040435804,00000002000002000208008694892cc00954b5d21c,0,0,50,3,0,0,50,53,-10.064,-0.364,6,,0.335258693,-,1.7597,-,1.7597,https://www.genome.jp/dbget-bin/www_bget?dr:D00389
1225,D00389, Metandienone (INN), Androgens for topical use,D11AE01,DERMATOLOGICALS,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)C=C3)CC2)C)CC[C@]2([C@H]1CC[C@]2(C)O)C,300.435,4.0453,89.7298,37.3,30,1,2,XWALNWXLMVGSFR-HLXURNFRSA-N,C20H28O2,O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",-3.6477,-1.9273,-1.1024,-0.9225,-0.9183,-0.7449,0.6089,0.669,0.6775,0.7392,0.8194,D00389_D11AE01,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000100020000204102000000000000000008000800000400000000800000800200000000400000000000001000000000010204000280000000000000000000080000000800000000000000000102000000,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040435804,00000002000002000208008694892cc00954b5d21c,0,0,50,3,0,0,50,53,-10.064,-0.364,6,,0.335258693,-,1.7597,-,1.7597,https://www.genome.jp/dbget-bin/www_bget?dr:D00389
1226,D08193, Metenolone (INN), Androstan derivatives,A14AA04,ALIMENTARY TRACT AND METABOLISM,C1=C([C@]2([C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C)C,302.45099999999996,4.1252,90.1658,37.3,32,1,2,ANJQEDFWRSLVBR-VHUDCFPWSA-N,C20H30O2,O=C1CC2CCC3C(C2(C(=C1)C)C)CCC1(C3CCC1O)C,"InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1",-3.2672,-1.936,-0.8655,-0.7093,-0.6379,-0.4769,0.41700000000000004,0.4708,0.5009,0.6652,0.7975,D08193_A14AA04,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040405805,00000000000002000208008694892cc00954b5d21c,0,0,53,2,0,0,52,55,-10.152999999999999,-0.04,7,-1.0,0.429450393,-,1.6,-,1.6,https://www.genome.jp/dbget-bin/www_bget?dr:D08193
1227,D01301, Methenolone enanthate (USAN), Androstan derivatives,A14AA04,ALIMENTARY TRACT AND METABOLISM,C1=C([C@]2([C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)CCCCCC)C)C)C,414.621,6.6465,123.93799999999999,43.37,45,0,3,TXUICONDJPYNPY-FRXWOFFRSA-N,C27H42O3,CCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2C1(C)C(=CC(=O)C2)C,"InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1",-4.4508,-3.3025,-2.9803,-1.2005,-0.8468,-0.7944,0.4759,0.4852,0.4926,0.636,1.1142,D01301_A14AA04,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000000000002000208008014892ee48950b7d61c,0,0,72,3,0,7,72,75,-10.182,-0.069,7,,0.9331820009999999,+,2.4083,-,2.4083,https://www.genome.jp/dbget-bin/www_bget?dr:D01301
1228,D01375, Methenolone acetate (USAN), Androstan derivatives,A14AA04,ALIMENTARY TRACT AND METABOLISM,C1=C([C@]2([C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)C)C,344.48800000000006,4.696000000000001,99.90299999999999,43.37,35,0,3,PGAUJQOPTMSERF-QWQRBHLCSA-N,C22H32O3,CC(=O)OC1CCC2C1(C)CCC1C2CCC2C1(C)C(=CC(=O)C2)C,"InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1",-4.4131,-3.3036,-2.9949,-1.2059,-0.8487,-0.7953,0.4753,0.4917,0.5727,0.636,1.124,D01375_A14AA04,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000000000002000208008014892ce48950b7d21c,0,0,57,3,0,2,57,60,-10.167,-0.023,7,,0.554414511,-,1.8541,-,1.8541,https://www.genome.jp/dbget-bin/www_bget?dr:D01375
1229,D00490, Oxymetholone (JP17/USP/INN), Androstan derivatives,A14AA05,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]([C@H]3[C@](CC2)([C@@](CC3)(C)O)C)CC[C@@H]2[C@@]1(C/C(=C\O)/C(=O)C2)C,332.477,4.401,96.5826,57.53,35,2,3,ICMWWNHDUZJFDW-CCTJMHFWSA-N,C21H32O3,OC=C1CC2(C)C(CC1=O)CCC1C2CCC2(C1CCC2(C)O)C,"InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21-/m0/s1",-3.3453,-1.899,-1.0038,-0.7999,-0.5845,-0.5637,0.42700000000000005,0.5462,0.5727,0.8039,0.8129,D00490_A14AA05,0000000000000224000000010040000000000080000000000000000000000000100000000000000100020000000000000100000000204402000000000000000008000800000400000000800008800084001000400000000000001000000000010004000000000000000000000000080000000000000000000000000100000100,1400004c00a001,0f480000000001008000000000000000c000000000000000000000000000000000004040405805,00000000000002000208008794892cc00d54b7d21c,0,0,57,2,0,0,56,59,-9.619,0.026000000000000002,7,0.0,0.521463335,-,1.835,-,1.835,https://www.genome.jp/dbget-bin/www_bget?dr:D00490
1230,D05674, Quinbolone (USAN/INN), Androstan derivatives,A14AA06,ALIMENTARY TRACT AND METABOLISM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC1=CCCC1)C)C,352.51,5.7473,106.255,26.3,34,0,2,IUVKMZGDUIUOCP-BTNSXGMBSA-N,C24H32O2,O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC2OC1=CCCC1)C)C,"InChI=1S/C24H32O2/c1-23-13-11-17(25)15-16(23)7-8-19-20-9-10-22(26-18-5-3-4-6-18)24(20,2)14-12-21(19)23/h5,11,13,15,19-22H,3-4,6-10,12,14H2,1-2H3/t19-,20-,21-,22-,23-,24-/m0/s1",-3.6347,-1.0,-0.9161,-0.8728,-0.7538,-0.7199,0.5349,0.5375,0.6039,0.6353,0.6649,D05674_A14AA06,0000000000000224000000014042000000000080004040000000208000042000100800000080000180020000210000000100020000604102000000000400800008100801000400020000800000800280008000400000000840001000000000010204000280000000000000000100080001010900000000000000000142000000,14000000302001,1f0000000000010000020000000000000001000000000000000000000000000000004040437804,00000002000002000208008014892ce00940b5d21c,0,0,58,4,0,2,58,62,-9.379,-0.397,6,1.0,0.728082538,+,2.3779,-,2.3779,https://www.genome.jp/dbget-bin/www_bget?dr:D05674
1231,D08409, Prasterone (INN), Androstan derivatives,A14AA07,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@@H]([C@@]3(C(=CC2)C[C@H](CC3)O)C)CC[C@]2([C@H]1CCC2=O)C,288.42400000000004,3.8792,85.3588,37.3,30,1,2,FMGSKLZLMKYGDP-USOAJAOKSA-N,C19H28O2,OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1",-3.0410000000000004,-1.9038,-0.6361,-0.5734,-0.5652,-0.5571,0.5871,0.8057,0.8169,0.8483,0.8747,D08409_A14AA07,0000000000000224000000010000000000000080004040000000000000002000100000000080000100020000000000000100000000204002200000000000000008000800040400000000800008800204001000400002000008001000000000000204000000000000000000000000080000000000000800000000000100000100,1400002c00a001,1f2800000000010000000000000000000000000000000000000000000000000000004000400805,00000002000002000208008294892cc00944b5d21c,0,0,50,2,0,0,49,52,-9.53,0.816,6,0.0,0.434812695,-,1.5454,-,1.5454,https://www.genome.jp/dbget-bin/www_bget?dr:D08409
1232,D01616, Sodium prasterone sulfate hydrate (JP17, Androstan derivatives,A14AA07,ALIMENTARY TRACT AND METABOLISM,C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CCC1=O)C)OS(=O)(=O)O,368.48800000000006,4.7871,95.8178,89.05,32,1,5,CZWCKYRVOZZJNM-USOAJAOKSA-N,C19H28O5S,O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O,"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1",-10.8259,-10.7886,-10.2,-6.8629,-3.0008,-2.256,1.8228,2.4094,2.5287,2.5839999999999996,2.6383,D01616_A14AA07,200001000000022400000001008000080000008000404040000000080100200110000002a08000010002002000000000210002000020c00220000000000800000800080006040000020080000880020400100040002200000800100000000000020c000000000080000000000000080000004000000800000000000100000300,1400000000a001,1f0000000000010000000000000000000000000000000000000801000000000000004000402805,00000002c080421a16098084348b2ce88b4cbfd21c,0,0,52,4,0,2,53,56,-6.818,2.153,6,0.0,0.0005000030000000001,-,1.9517,-,1.9517,https://www.genome.jp/dbget-bin/www_bget?dr:D01616
1233,D00462, Oxandrolone (JAN/USP/INN), Androstan derivatives,A14AA08,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@@H]([C@@]3([C@@H](CC2)CC(=O)OC3)C)CC[C@]2([C@H]1CC[C@]2(C)O)C,306.44,3.5431,86.9558,46.53,33,1,3,QSLJIVKCVHQPLV-PEMPUTJUSA-N,C19H30O3,O=C1OCC2(C(C1)CCC1C2CCC2(C1CCC2(C)O)C)C,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",-4.4848,-2.9911,-1.9225,-1.3409,-1.1808,-0.6366,0.7153,0.7458,0.8196,1.035,1.0643,D00462_A14AA08,00000000000002000200000100020000000000000000000000000000000400001000000000000001000a0000200000000100000000204002000000000000820008100800000000000000800028800004009000400000000000000000000000000000000000000000000000000000088000030100000100000000000140000100,0400004c30a005,0f480000000000000000a000000000000000000000000000000000000000000000004400400805,00000000000000010200008692992cc40955b7d31c,0,0,54,1,0,0,52,55,-10.517999999999999,1.01,7,1.0,0.331703395,-,1.5576,-,1.5576,https://www.genome.jp/dbget-bin/www_bget?dr:D00462
1234,D07127, Norethandrolone (INN), Androstan derivatives,A14AA09,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)CC)C,302.45099999999996,4.2693,90.4638,37.3,32,1,2,ZDHCJEIGTNNEMY-XGXHKTLJSA-N,C20H30O2,CCC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-3.3059,-1.9202,-0.7985,-0.6521,-0.6203,-0.48100000000000004,0.4093,0.4747,0.4901,0.637,0.6552,D07127_A14AA09,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002000208008694892ec00944b5d61c,0,0,53,2,0,1,52,55,-10.121,-0.027999999999999997,6,-1.0,0.521881461,-,1.5618,-,1.5618,https://www.genome.jp/dbget-bin/www_bget?dr:D07127
1235,D08250, Nandrolone (INN), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)O)C,274.39799999999997,3.4891,80.8118,37.3,28,1,2,NPAGDVCDWIYMMC-IZPLOLCNSA-N,C18H26O2,O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",-3.2826,-1.9163,-0.8889,-0.6453,-0.5354,-0.4096,0.3996,0.4676,0.5238,0.5682,0.7204,D08250_A14AB01,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00944a5d21c,0,0,47,2,0,0,46,49,-10.037,-0.006999999999999999,6,0.0,0.36164504299999994,-,1.4283,-,1.4283,https://www.genome.jp/dbget-bin/www_bget?dr:D08250
1236,D08250, Nandrolone (INN), Other ophthalmologicals,S01XA11,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)O)C,274.39799999999997,3.4891,80.8118,37.3,28,1,2,NPAGDVCDWIYMMC-IZPLOLCNSA-N,C18H26O2,O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",-3.2826,-1.9163,-0.8889,-0.6453,-0.5354,-0.4096,0.3996,0.4676,0.5238,0.5682,0.7204,D08250_S01XA11,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00944a5d21c,0,0,47,2,0,0,46,49,-10.037,-0.006999999999999999,6,0.0,0.36164504299999994,-,1.4283,-,1.4283,https://www.genome.jp/dbget-bin/www_bget?dr:D08250
1237,D00955, Nandrolone decanoate (JAN/USP), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCC)C,428.647,7.1807,129.005,43.37,47,0,3,JKWKMORAXJQQSR-MOPIKTETSA-N,C28H44O3,CCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",-4.438,-3.3033,-2.9911,-1.2095,-0.8349,-0.8007,0.4886,0.4939,0.5215,0.6388,1.1172,D00955_A14AB01,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48940b7d61c,0,0,75,3,0,10,75,78,-10.193999999999999,-0.08900000000000001,6,1.0,0.97239244,-,2.9888,-,2.9888,https://www.genome.jp/dbget-bin/www_bget?dr:D00955
1238,D00955, Nandrolone decanoate (JAN/USP), Other ophthalmologicals,S01XA11,SENSORY ORGANS,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCC)C,428.647,7.1807,129.005,43.37,47,0,3,JKWKMORAXJQQSR-MOPIKTETSA-N,C28H44O3,CCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",-4.4264,-3.3016,-3.0021,-1.2053,-0.8335,-0.8022,0.4818,0.4901,0.4952,0.638,1.109,D00955_S01XA11,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48940b7d61c,0,0,75,3,0,10,75,78,-10.193999999999999,-0.08900000000000001,6,1.0,0.97239244,-,2.9888,-,2.9888,https://www.genome.jp/dbget-bin/www_bget?dr:D00955
1239,D00956, Nandrolone phenpropionate (USP), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)CCc1ccccc1)C,406.55699999999996,5.6728,119.84299999999999,43.37,37,0,3,UBWXUGDQUBIEIZ-QNTYDACNSA-N,C27H34O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCc1ccccc1,"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",-4.405,-3.3042,-2.9845,-1.1961,-0.8343,-0.8011,0.4892,0.4904,0.5292,0.6386,1.1016,D00956_A14AB01,00040000000002240200020100020000000000800040400000000080000c20001000400040800001800a0008200100000100000008204102200000020000820008100800000400000000800008800204009000400000100840881800000800010204000080000000000000000000080000030100000100000800000140000100,14000000303005,1f0000000000010000009000000000000001000000000000000000000000000000004240407805,00000002000002000208008014892ce48940a7d61e,0,6,59,3,0,5,64,68,-10.008,-0.08900000000000001,6,1.0,0.948933542,-,2.2664,-,2.2664,https://www.genome.jp/dbget-bin/www_bget?dr:D00956
1240,D00956, Nandrolone phenpropionate (USP), Other ophthalmologicals,S01XA11,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)CCc1ccccc1)C,406.55699999999996,5.6728,119.84299999999999,43.37,37,0,3,UBWXUGDQUBIEIZ-QNTYDACNSA-N,C27H34O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCc1ccccc1,"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",-4.4041,-3.3034,-3.0069,-1.1919,-0.8171,-0.8011,0.4892,0.5013,0.5429,0.6387,1.091,D00956_S01XA11,00040000000002240200020100020000000000800040400000000080000c20001000400040800001800a0008200100000100000008204102200000020000820008100800000400000000800008800204009000400000100840881800000800010204000080000000000000000000080000030100000100000800000140000100,14000000303005,1f0000000000010000009000000000000001000000000000000000000000000000004240407805,00000002000002000208008014892ce48940a7d61e,0,6,59,3,0,5,64,68,-10.008,-0.08900000000000001,6,1.0,0.948933542,-,2.2664,-,2.2664,https://www.genome.jp/dbget-bin/www_bget?dr:D00956
1241,D01476, Nandrolone cyclohexylpropionate (JAN), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)CCC1CCCCC1)C,412.605,6.4005,122.084,43.37,43,0,3,TXLCJMHILCSZJG-QNTYDACNSA-N,C27H40O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCC1CCCCC1,"InChI=1S/C27H40O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h17-18,21-25H,2-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",-4.3724,-3.3067,-3.009,-1.2032,-0.8378,-0.802,0.4883,0.5686,0.6382,0.6873,1.1111,D01476_A14AB01,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ce48940a7d61c,0,0,71,3,0,5,70,74,-10.147,-0.078,6,1.0,0.9643132090000001,-,2.8182,-,2.8182,https://www.genome.jp/dbget-bin/www_bget?dr:D01476
1242,D01476, Nandrolone cyclohexylpropionate (JAN), Other ophthalmologicals,S01XA11,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)CCC1CCCCC1)C,412.605,6.4005,122.084,43.37,43,0,3,TXLCJMHILCSZJG-QNTYDACNSA-N,C27H40O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCC1CCCCC1,"InChI=1S/C27H40O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h17-18,21-25H,2-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",-4.396,-3.3035,-3.0073,-1.1909,-0.8228,-0.8013,0.4755,0.4893,0.5091,0.6387,1.0955,D01476_S01XA11,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ce48940a7d61c,0,0,71,3,0,5,70,74,-10.147,-0.078,6,1.0,0.9643132090000001,-,2.8182,-,2.8182,https://www.genome.jp/dbget-bin/www_bget?dr:D01476
1243,D01737, Nandrolone furylpropionate (JAN), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,c1coc(c1)CCC(=O)O[C@@H]1[C@]2(CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]2CC1)C,396.519,5.2658,112.109,56.51,35,0,4,ICNIVTHKZKRHPD-YNFNDHOQSA-N,C25H32O4,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCc1ccco1,"InChI=1S/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1",-4.4193,-3.303,-3.0003,-1.2022,-0.8192,-0.8003,0.5001,0.5162,0.6387,0.6787,1.0959999999999999,D01737_A14AB01,00040000000002241200030100020000000004881040400400020080100c20001000480040800001800a0008201100000100000008204102200000030050820008100800200400000000800008840a44009800402000100000801800004900010204200080000000080000000000080000030100000108800800200140004100,14000000303005,1f000000000001000000900000000000000100000000a000000000000000000000004640407805,00000002000002010208048014892ce48949a7d61e,0,5,57,3,0,5,61,65,-9.423,-0.102,6,,0.8564421529999999,+,2.4904,-,2.4904,https://www.genome.jp/dbget-bin/www_bget?dr:D01737
1244,D01737, Nandrolone furylpropionate (JAN), Other ophthalmologicals,S01XA11,SENSORY ORGANS,c1coc(c1)CCC(=O)O[C@@H]1[C@]2(CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]2CC1)C,396.519,5.2658,112.109,56.51,35,0,4,ICNIVTHKZKRHPD-YNFNDHOQSA-N,C25H32O4,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)CCc1ccco1,"InChI=1S/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1",-4.4013,-3.3025,-2.9998,-1.2008,-0.8065,-0.8021,0.4896,0.5396,0.6398,0.6753,1.087,D01737_S01XA11,00040000000002241200030100020000000004881040400400020080100c20001000480040800001800a0008201100000100000008204102200000030050820008100800200400000000800008840a44009800402000100000801800004900010204200080000000080000000000080000030100000108800800200140004100,14000000303005,1f000000000001000000900000000000000100000000a000000000000000000000004640407805,00000002000002010208048014892ce48949a7d61e,0,5,57,3,0,5,61,65,-9.423,-0.102,6,,0.8564421529999999,+,2.4904,-,2.4904,https://www.genome.jp/dbget-bin/www_bget?dr:D01737
1245,D05116, Nandrolone cyclotate (USAN), Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)[C@@]12CC[C@](C=C1)(C)CC2)C,422.6,6.1765,123.78299999999999,43.37,41,0,3,REACBNMPQDINOF-ZDMPKJLCSA-N,C28H38O3,O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2OC(=O)C12CCC(CC1)(C=C2)C)C,"InChI=1S/C28H38O3/c1-26-11-14-28(15-12-26,16-13-26)25(30)31-24-8-7-23-22-5-3-18-17-19(29)4-6-20(18)21(22)9-10-27(23,24)2/h11,14,17,20-24H,3-10,12-13,15-16H2,1-2H3/t20-,21+,22+,23-,24-,26-,27-,28-/m0/s1",-4.4194,-3.3057,-2.9785,-1.1888,-1.064,-0.8176,0.6399,0.7994,0.8851,1.0852,1.2233,D05116_A14AB01,00000000000002240200000100020000000000800040400000000000000420001000000000a00001801a00002000000001800000002041022000000000008200081008000404000000008000088002040090004000020000008010004000000102040000c0000000000000000000080000030100000980000000000140000100,14000000302005,1f000000000001000000900000000000000100000000000000000000000000000000c040437805,00000002000002000208008014892ce48940b7d21c,0,0,70,4,0,3,69,74,-10.052999999999999,-0.019,6,0.0,0.925047398,-,3.2139,-,3.2139,https://www.genome.jp/dbget-bin/www_bget?dr:D05116
1246,D05116, Nandrolone cyclotate (USAN), Other ophthalmologicals,S01XA11,SENSORY ORGANS,[C@H]12[C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC[C@@]1([C@H](CC2)OC(=O)[C@@]12CC[C@](C=C1)(C)CC2)C,422.6,6.1765,123.78299999999999,43.37,41,0,3,REACBNMPQDINOF-ZDMPKJLCSA-N,C28H38O3,O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2OC(=O)C12CCC(CC1)(C=C2)C)C,"InChI=1S/C28H38O3/c1-26-11-14-28(15-12-26,16-13-26)25(30)31-24-8-7-23-22-5-3-18-17-19(29)4-6-20(18)21(22)9-10-27(23,24)2/h11,14,17,20-24H,3-10,12-13,15-16H2,1-2H3/t20-,21+,22+,23-,24-,26-,27-,28-/m0/s1",-4.4258,-3.3068,-2.9948,-1.1991,-1.0804,-0.8365,0.6397,0.8188,0.8898,1.1077,1.2302,D05116_S01XA11,00000000000002240200000100020000000000800040400000000000000420001000000000a00001801a00002000000001800000002041022000000000008200081008000404000000008000088002040090004000020000008010004000000102040000c0000000000000000000080000030100000980000000000140000100,14000000302005,1f000000000001000000900000000000000100000000000000000000000000000000c040437805,00000002000002000208008014892ce48940b7d21c,0,0,70,4,0,3,69,74,-10.052999999999999,-0.019,6,0.0,0.925047398,-,3.2139,-,3.2139,https://www.genome.jp/dbget-bin/www_bget?dr:D05116
1247,D08251, Nandrolone laurate, Estren derivatives,A14AB01,ALIMENTARY TRACT AND METABOLISM,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCCCC)C,456.7,7.9609,138.619,43.37,51,0,3,OXXNTXVXBWLYQE-PVHICTMWSA-N,C30H48O3,CCCCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1",-4.4466,-3.3057,-2.9932,-1.1996,-0.8253,-0.8011,0.4661,0.4755,0.4898,0.6384,1.1001,D08251_A14AB01,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48940b7d61c,0,0,81,3,0,12,81,84,-10.198,-0.087,6,2.0,0.899528027,-,3.5961,-,3.5961,https://www.genome.jp/dbget-bin/www_bget?dr:D08251
1248,D08251, Nandrolone laurate, Other ophthalmologicals,S01XA11,SENSORY ORGANS,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCCCC)C,456.7,7.9609,138.619,43.37,51,0,3,OXXNTXVXBWLYQE-PVHICTMWSA-N,C30H48O3,CCCCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1",-4.4849,-3.3058,-2.986,-1.1921,-0.8127,-0.7995,0.4902,0.5076,0.5546,0.6375,1.0924,D08251_S01XA11,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48940b7d61c,0,0,81,3,0,12,81,84,-10.198,-0.087,6,2.0,0.899528027,-,3.5961,-,3.5961,https://www.genome.jp/dbget-bin/www_bget?dr:D08251
1249,D01414, Ethylestrenol (USAN/INN), Estren derivatives,A14AB02,ALIMENTARY TRACT AND METABOLISM,[C@@H]12[C@@]([C@@](CC2)(CC)O)(CC[C@H]2[C@H]1CCC1=CCCC[C@H]21)C,288.467,5.0903,90.2638,20.23,33,1,1,AOXRBFRFYPMWLR-XGXHKTLJSA-N,C20H32O,CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12,"InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-1.9088,-0.5724,-0.3824,-0.3654,-0.3621,-0.2825,0.1148,0.1352,0.349,0.3917,0.8172,D01414_A14AB02,0000000000000224000000010000000000000080004040000000000000002000100000000080000100000000000000000100000000204002200000000000000008000800000400000000800000000200000000400000000000001000000000000204000000000000000000000000080000000000000000000000000100000000,0000004c00a001,1f4800000000000000000000000000000000000000000000000000000000000000004000402004,00000002000002000208008694892ec00944b5941c,0,0,55,1,0,1,53,56,-9.378,1.3319999999999999,6,,0.667006731,-,1.5522,-,1.5522,https://www.genome.jp/dbget-bin/www_bget?dr:D01414
1250,D01149, Oxabolone cipionate (JAN/INN), Estren derivatives,A14AB03,ALIMENTARY TRACT AND METABOLISM,C1CCC(C1)CCC(=O)O[C@@H]1[C@]2(CC[C@@H]3[C@H]4CCC(=O)C(=C4CC[C@H]3[C@@H]2CC1)O)C,414.57800000000003,5.8961,118.84899999999999,63.6,42,1,4,KHKDIUPVDIEHAH-KXLSUQFWSA-N,C26H38O4,O=C(OC1CCC2C1(C)CCC1C2CCC2=C(C(=O)CCC12)O)CCC1CCCC1,"InChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3/t17-,18-,19-,21+,23+,26+/m1/s1",-4.3964,-3.2960000000000003,-2.9941,-1.5298,-1.2026,-1.01,0.6334,0.8697,0.9846,1.1087,1.5311,D01149_A14AB03,00000000000002240200000100420000000000800040400000000000000420001000000000800001800a000020000000010000000020410220000000000082000810080000040000000080000880028400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,1400000d30a005,0f0000000000010080009000000000000001000000000000000000000000000000004040407805,00000002000002008208008614892ce4894ca7d61c,0,0,69,3,0,5,68,72,-9.388,-0.153,6,,0.896892667,+,2.8996,-,2.8996,https://www.genome.jp/dbget-bin/www_bget?dr:D01149
1251,D02176, Levocarnitine (JAN/USP/INN), Amino acids and derivatives,A16AA01,ALIMENTARY TRACT AND METABOLISM,C([N+](C)(C)C)[C@@H](CC(=O)O)O,162.207,-0.4718,41.071000000000005,57.53,18,2,3,PHIQHXFUZVPYII-ZCFIWIBFSA-O,C7H16NO3+,OC(C[N+](C)(C)C)CC(=O)O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1",-4.8216,-4.8046,-4.7851,-4.6929,-4.5753,-4.4424,1.5374,1.6218,1.9506,2.3661,2.3857,D02176_A16AA01,000a8000000000000000040000000000000000100000000000000000000000001000000000000003000a0010000000000100000000004001000000000000000008000800000000000000000000800014001000400000200080000000000000000000000000000000000000008000100000040000000010000000000000000200,0500002c00e002,022840040400000000008800000000000000000000000000000000000000000000000000c02a04,000000200000110000023055888804060c149af709,0,0,25,1,0,4,27,26,-7.204,-1.5019999999999998,1,,,+,0.6202,-,0.6202,https://www.genome.jp/dbget-bin/www_bget?dr:D02176
1252,D02030, Levocarnitine chloride (JAN), Amino acids and derivatives,A16AA01,ALIMENTARY TRACT AND METABOLISM,C(=O)(C[C@H](C[N+](C)(C)C)O)O,162.207,-0.4718,41.071000000000005,57.53,18,2,3,PHIQHXFUZVPYII-ZCFIWIBFSA-O,C7H16NO3+,OC(C[N+](C)(C)C)CC(=O)O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1",-4.8203,-4.8065,-4.7866,-4.7124,-4.5841,-4.4434,1.5885,1.7246,1.9418,2.3673,2.3865,D02030_A16AA01,000a8000000000000000040000000000000000100000000000000000000000001000000000000003000a0010000000000100000000004001000000000000000008000800000000000000000000800014001000400000200080000000000000000000000000000000000000008000100000040000000010000000000000000200,0500002c00e002,022840040400000000008800000000000000000000000000000000000000000000000000c02a04,000000200000110000023055888804060c149af709,0,0,25,1,0,4,27,26,-7.375,-1.444,1,0.0,,+,0.5511,-,0.5511,https://www.genome.jp/dbget-bin/www_bget?dr:D02030
1253,D04713, Levocarnitine propionate hydrochloride, Amino acids and derivatives,A16AA01,ALIMENTARY TRACT AND METABOLISM,C([N+](C)(C)C)[C@@H](CC(=O)O)OC(=O)CC,218.27,0.4891,55.6152,63.6,23,1,4,UFAHZIUFPNSHSL-MRVPVSSYSA-O,C10H20NO4+,CCC(=O)OC(C[N+](C)(C)C)CC(=O)O,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/p+1/t8-/m1/s1",-4.8231,-4.8152,-4.7412,-4.7283,-4.6003,-4.4121,1.6036,1.8178,1.9919,2.2309,2.3746,D04713_A16AA01,000a8000000000000800040000020000000000100080000000000000000400101000000000000013000a001020000000010000000000400100000000000006000800080008100000000000000080001400900040000020008000000100000000000000000000000000002000c000140000060180000310000000000040000200,0500000c30e006,030040040400000000009800000000000000000000000000000000000000000000000000c02a05,000000200000010000023055888806a6881c9af709,0,0,32,2,0,7,35,34,-7.085,-1.57,1,-1.0,,-,0.8176,-,0.8176,https://www.genome.jp/dbget-bin/www_bget?dr:D04713
1254,D07128, Ademetionine (INN), Amino acids and derivatives,A16AA02,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@@H](CC[S@@](C[C@@H]1[C@H]([C@H]([C@@H](O1)n1c2c(nc1)c(ncn2)N)O)O)C)[NH3+],400.45300000000003,-1.4072,99.9319,209.55,33,5,10,MMCXBMRNEYDXKG-BAYCTPFLSA-O,C15H24N6O5S+,C[S](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)[NH3+],"InChI=1S/C15H23N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,18,19)/p+1/t7-,8-,10-,11-,14-/m1/s1",-5.4249,-5.3452,-5.3424,-5.099,-5.0955,-4.6308,2.3783,2.5229,2.5286,3.0179,3.411,D07128_A16AA02,c0000105000028c02000460008120000702000100002000012000040008400101400200c40078027500a0010200008c0011020800000c01900000000200020040cc01e109010080000018c800090010404b00f400cb0000cf04080010001c08400080000008c000020e00002e000180060061988230008800018c0010a000000,0500002c30f123,0228c0080401000000008800000000110000000000009800000000000000000000004601c03a04,000000002000213181d4bcdf9361bc475d6feeff1f,0,10,42,1,0,7,51,53,-8.892999999999999,-3.0180000000000002,5,0.0,1.3267999999999999e-05,+,1.6127,-,1.6127,https://www.genome.jp/dbget-bin/www_bget?dr:D07128
1255,D07592, Ademetionine tosilate disulfate, Amino acids and derivatives,A16AA02,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@@H](CC[S@@](C[C@@H]1[C@H]([C@H]([C@@H](O1)n1c2c(nc1)c(ncn2)N)O)O)C)[NH3+],400.45300000000003,-1.4072,99.9319,209.55,33,5,10,MMCXBMRNEYDXKG-BAYCTPFLSA-O,C15H24N6O5S+,C[S](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)[NH3+],"InChI=1S/C15H23N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,18,19)/p+1/t7-,8-,10-,11-,14-/m1/s1",-5.3885,-5.3735,-5.3655,-5.1231,-5.1198,-4.5626,2.3922,2.5095,2.5635,3.0921,3.4176,D07592_A16AA02,c0000105000028c02000460008120000702000100002000012000040008400101400200c40078027500a0010200008c0011020800000c01900000000200020040cc01e109010080000018c800090010404b00f400cb0000cf04080010001c08400080000008c000020e00002e000180060061988230008800018c0010a000000,0500002c30f123,0228c0080401000000008800000000110000000000009800000000000000000000004601c03a04,000000002000213181d4bcdf9361bc475d6feeff1f,0,10,42,1,0,7,51,53,-8.89,-3.02,5,1.0,1.3286800000000001e-05,+,1.6207,-,1.6207,https://www.genome.jp/dbget-bin/www_bget?dr:D07592
1256,D00015, Glutamine (USP), Amino acids and derivatives,A16AA03,ALIMENTARY TRACT AND METABOLISM,[C@H](CCC(=O)N)(C(=O)O)[NH3+],147.15200000000002,-1.3527,34.7933,108.03,14,3,4,ZDXPYRJPNDTMRX-VKHMYHEASA-O,C5H11N2O3+,NC(=O)CCC(C(=O)O)[NH3+],"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1",-5.3904,-5.3494,-5.3493,-4.8472,-4.6343,-4.5944,2.3479,2.3711,2.6457,2.9529,2.9939,D00015_A16AA03,00000000000000000000040000000000000000000000000000000000000000001000000000000003000e0010000000000100000000004000000000000000000008000800000000000000000130800004003003400000000080000200000000000000000000000000000000000000080000040000000000000000000100000300,0500000c00e002,0200c0000400000000008800060000100000000000000000000000000000000000000000c02a04,00000000000021000000084e806030048c24467e09,0,0,18,2,0,4,21,20,-8.943999999999999,-0.25,1,,,-,0.8274,-,0.8274,https://www.genome.jp/dbget-bin/www_bget?dr:D00015
1257,D03634, Cysteamine (USAN), Amino acids and derivatives,A16AA04,ALIMENTARY TRACT AND METABOLISM,C(CS)[NH3+],78.1566,-0.8419,23.6221,66.44,9,2,1,UFULAYFCSOUIOV-UHFFFAOYSA-O,C2H8NS+,SCC[NH3+],"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1",-5.3705,-5.3686,-5.3681,-4.147,-1.1414,-1.0806,1.5465,1.5501,1.5609,1.7519,1.7611,D03634_A16AA04,0000010200000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000400000000000000000000000000000000000000000000000000000000000041000000000000000000000000000,0100000000e000,0000c0000c00000000000000000000000000000000000000000000000000000000000000c02200,000000000000210000008200884020000402442501,0,0,11,0,0,1,12,11,-12.834000000000001,-4.66,0,,,+,0.8404,-,0.8404,https://www.genome.jp/dbget-bin/www_bget?dr:D03634
1258,D03634, Cysteamine (USAN), Other ophthalmologicals,S01XA21,SENSORY ORGANS,C(CS)[NH3+],78.1566,-0.8419,23.6221,66.44,9,2,1,UFULAYFCSOUIOV-UHFFFAOYSA-O,C2H8NS+,SCC[NH3+],"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1",-5.3707,-5.3682,-5.3682,-4.147,-1.1414,-1.0807,1.5464,1.5501,1.5609,1.7519999999999998,1.7612,D03634_S01XA21,0000010200000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000400000000000000000000000000000000000000000000000000000000000041000000000000000000000000000,0100000000e000,0000c0000c00000000000000000000000000000000000000000000000000000000000000c02200,000000000000210000008200884020000402442501,0,0,11,0,0,1,12,11,-12.834000000000001,-4.66,0,,,+,0.8404,-,0.8404,https://www.genome.jp/dbget-bin/www_bget?dr:D03634
1259,D07130, Carglumic acid (JAN/USAN/INN), Amino acids and derivatives,A16AA05,ALIMENTARY TRACT AND METABOLISM,OC(=O)CC[C@@H](C(=O)O)NC(=O)N,190.15400000000002,0.0639,40.5977,129.72,15,4,7,LCQLHJZYVOQKHU-VKHMYHEASA-N,C6H10N2O5,OC(=O)CCC(C(=O)O)NC(=O)N,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",-5.8474,-5.32,-4.6778,-4.5849,-4.5529,-4.4428,2.4516,2.5453,2.5552,2.6165,2.9137,D07130_A16AA05,000a8000004008200100040000000000000000100000000000000000000000001800000000000003000e05100000000001000000000040000000000000000020080008000000000000000002209000040030004000002000800002000000000000200000000000000000000080001800000c0000000010000050000100000300,0400000c00a042,020000000000000000008800000000000040040000000000000000000000000000000000402804,000000001004200000100846806230048c2c467e09,0,0,19,3,0,6,23,22,-1.4469999999999998,7.4079999999999995,1,0.0,,-,1.1061,-,1.1061,https://www.genome.jp/dbget-bin/www_bget?dr:D07130
1260,D07523, Betaine (JAN), Amino acids and derivatives,A16AA06,ALIMENTARY TRACT AND METABOLISM,[N+](CC(=O)O)(C)(C)C,118.154,-0.2228,30.2952,37.3,13,1,2,KWIUHFFTVRNATP-UHFFFAOYSA-O,C5H12NO2+,OC(=O)C[N+](C)(C)C,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",-5.2466,-4.8139,-4.7996,-4.7989,-4.5706,-4.423,1.6256,2.3527,2.3749,2.469,2.8143,D07523_A16AA06,00020000004000000000040000000000000000000000000000000000000000000000000000000002000a0000000000000000000000000000000000000000000008000800000000000000000000800000002000400000200000000000000000000000000000000000000000008000000000040000000000000000000000000000,0500000c00e002,000040040400000000008800000000100000000000000000000000000000000000000000c02a00,00000020000001000002305088800406081418f709,0,0,18,1,0,2,20,19,-8.638,-0.41600000000000004,0,0.0,,-,0.7735,-,0.7735,https://www.genome.jp/dbget-bin/www_bget?dr:D07523
1261,D07524, Betaine aspartate, Amino acids and derivatives,A16AA06,ALIMENTARY TRACT AND METABOLISM,OC(=O)[C@H](CC(=O)O)[NH3+],134.111,-1.8438,28.8507,102.24,10,3,4,CKLJMWTZIZZHCS-REOHCLBHSA-O,C4H8NO4+,OC(=O)CC(C(=O)O)[NH3+],"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p+1/t2-/m0/s1",-5.382999999999999,-5.3654,-5.3288,-4.6174,-4.572,-4.5487,2.3821,2.5091,2.5334,2.6459,3.036,D07524_A16AA06,00000000000000000000040002000000000000000000000000000000000000001000000000000003000a001000000000010000000000c00000000000000000000800080000000000000000000080000c003000400000000000000000000000000000000000000000000000000000200000040000000000000000000000000400,0500000c00e002,0200c0000400000000008800000000100000000000000000000000000000000000000000c02a04,000000000000310000000042814000048c0c427e09,0,0,14,2,0,3,17,16,-5.176,3.536,1,-1.0,,-,0.7978,+,0.7978,https://www.genome.jp/dbget-bin/www_bget?dr:D07524
1262,D07525, Betaine citrate, Amino acids and derivatives,A16AA06,ALIMENTARY TRACT AND METABOLISM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5921,-4.5663,-4.5649,-4.4458,-4.4228,-4.4059,2.3627,2.3629,2.3697,2.3929,2.489,D07525_A16AA06,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.367,13.799000000000001,0,0.0,,-,0.8818,-,0.8818,https://www.genome.jp/dbget-bin/www_bget?dr:D07525
1263,D00086, Thioctic acid (JAN), Various alimentary tract and metabolism products,A16AX01,ALIMENTARY TRACT AND METABOLISM,S1SCC[C@@H]1CCCCC(=O)O,206.326,2.7851,55.4098,87.9,17,1,4,AGBQKNBQESQNJD-ZETCQYMHSA-N,C8H14O2S2,OC(=O)CCCCC1SSCC1,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1",-4.5569,-4.4415,-1.3345,-0.4204,-0.4178,-0.3136,0.3013,0.3404,0.3717,0.3823,2.3698,D00086_A16AX01,00004101000002200000000000000000000000000000000000000000000000001000000000010401000a00004000000001000c000020400000000000000000000800080000000000000084000c800004001002400000000000000000000020000000000000000000000100000000080000001040000000601000004300000100,0400000c00a203,020000004000000000008800000000000000000000000000000000800000000000000400402804,0020000008000000040085868000a08c0905045718,0,0,25,1,0,5,26,26,-4.236000000000001,0.33799999999999997,1,,8.46038e-06,-,1.1703,-,1.1703,https://www.genome.jp/dbget-bin/www_bget?dr:D00086
1264,D00048, Thioctic acid amide (JAN), Various alimentary tract and metabolism products,A16AX01,ALIMENTARY TRACT AND METABOLISM,S1SCC[C@@H]1CCCCC(=O)N,205.34099999999998,2.8861,56.5454,93.69,19,1,4,FCCDDURTIIUXBY-ZETCQYMHSA-N,C8H15NOS2,NC(=O)CCCCC1SSCC1,"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)/t7-/m0/s1",-4.769,-4.2282,-4.2115,-3.8433,-1.2263,-0.9583,0.3349,0.3709,1.1356,1.4461,1.482,D00048_A16AX01,00004101000002200000040000000000000000000000000000000000000000001000000000010400100600104000000001000c000020000000000000000000000000000000000000000004000c800004001003400000000080000000000020000000000000000000000100000000000000041040000000601000004300000100,0400000000a201,020000004000000000008000060000000000000000000000000000800000000000000400402804,002000000800000004008d8e8060b0880901442f19,0,0,26,1,0,5,27,27,-8.046,-1.499,1,0.0,0.24870477600000002,-,1.1542,-,1.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D00048
1265,D01584, Anetholtrithion (JAN), Various alimentary tract and metabolism products,A16AX02,ALIMENTARY TRACT AND METABOLISM,c1(=S)ssc(c1)c1ccc(cc1)OC,240.365,4.2147,64.958,97.8,10,0,4,KYLIZBIRMBGUOP-UHFFFAOYSA-N,C10H8OS3,COc1ccc(cc1)c1ssc(=S)c1,"InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3",-1.6593,-1.0274,-0.6696,-0.5851,-0.3355,-0.3149,0.24600000000000002,0.256,0.2659,0.3183,0.3361,D01584_A16AX02,884081020100040000000a0028420000400000000000020020000084000000100000408080000010820002080000000000000280000000040000410a040002000800080003000001000000001a0000000080014000181000410800020000080000000108800004030000000000300000404201a0080100200800000000200300,00000000503001,00000200000000000000800000000000000000000000c200000000000000000000000640402000,00000000080000a40401859000008168004180901e,0,11,11,1,0,2,22,23,-8.541,-2.333,0,,0.640527666,-,1.1938,-,1.1938,https://www.genome.jp/dbget-bin/www_bget?dr:D01584
1266,D05868, Sodium phenylbutyrate (JAN/USAN), Various alimentary tract and metabolism products,A16AX03,ALIMENTARY TRACT AND METABOLISM,c1cccc(c1)CCCC(=O)O,164.201,2.0939,47.6008,37.3,13,1,2,OBKXEAXTFZPCHS-UHFFFAOYSA-N,C10H12O2,OC(=O)CCCc1ccccc1,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",-4.5646,-4.4208,-1.3337,-0.3613,-0.3609,-0.3555,0.3305,0.3788,0.3833,0.4407,2.3657,D05868_A16AX03,00044000000000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000004000000000020000000008000800000000000000200000800004009000400000100840080800000800000000000000000000000000000000080000020100020100000000000100000100,0400000c00b003,020000000000000000008800000000000000000000000000000000000000000000000200402800,00000000000000000000000680002004080404561e,0,6,17,1,0,4,24,24,-4.25,2.87,0,0.0,1.0351299999999998e-06,-,0.3288,-,0.3288,https://www.genome.jp/dbget-bin/www_bget?dr:D05868
1267,D05177, Nitisinone (JAN/USAN/INN), Various alimentary tract and metabolism products,A16AX04,ALIMENTARY TRACT AND METABOLISM,c1cc(cc(c1C(=O)C1C(=O)CCCC1=O)[N](=O)O)C(F)(F)F,330.236,3.1492,71.20100000000001,100.87,16,1,3,QSNMEOKILGYMHD-UHFFFAOYSA-N,C14H11F3NO5,O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N](=O)O)C(F)(F)F,"InChI=1S/C14H11F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2,(H,22,23)",-5.2986,-4.3235,-4.1881,-4.1842,-4.1794,-2.9779,1.5303,1.5367,1.8432,2.0799,2.4525,D05177_A16AX04,000600240000328002000600020040000020009008010000000000c000080400140440000000002000020208000102404100000008200002000000020000040010000000400112200020200388800104049800400400100c70080a000009001600000000000c0003000001000000000000020140020130001008000102000100,1500000000f001,060100000000010000000000000000004001000000000000000000000000000000000240e02a03,000080000002814070000021218660cafaccaf6a1f,3,6,25,4,0,4,34,35,-11.2,-2.0669999999999997,0,1.0,0.61725229,+,1.0317,-,1.0317,https://www.genome.jp/dbget-bin/www_bget?dr:D05177
1268,D06408, Zinc acetate (USP), Various alimentary tract and metabolism products,A16AX05,ALIMENTARY TRACT AND METABOLISM,CC(=O)O,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5657,-4.4318,-1.334,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D06408_A16AX05,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.245,0,0.0,9.98934e-13,+,0.9621,-,0.9621,https://www.genome.jp/dbget-bin/www_bget?dr:D06408
1269,D05032, Miglustat (JAN/USAN/INN), Various alimentary tract and metabolism products,A16AX06,ALIMENTARY TRACT AND METABOLISM,[C@H]1([C@H]([C@@H]([C@H](C[N@@H+]1CCCC)O)O)O)CO,220.28599999999997,-1.3022,60.4909,85.36,26,5,4,UQRORFVVSGFNRO-UTINFBMNSA-O,C10H22NO4+,CCCC[NH+]1CC(O)C(C(C1CO)O)O,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/p+1/t7-,8+,9-,10-/m1/s1",-6.011,-4.5939,-4.5656,-4.5237,-2.0602,-2.0447,2.2294,2.3001,2.3182,2.4708,2.5031,D05032_A16AX06,002a00000000000000000400000000000000001000000000000000000100000010001000800000071000001000000000010200000020c001000000000000001008000800000028000000800202000000000001500000200080000000000000000000002000000000000000008000380000040000000010000000000100000000,0100003c00e001,033840020401000000000000000000000000000000000000000000000000000000000400c02204,0000000000003100800432478b502ec30d4feefd1d,0,0,37,0,0,4,37,37,-14.769,-4.204,5,0.0,1.5152999999999999e-05,-,0.2806,-,0.2806,https://www.genome.jp/dbget-bin/www_bget?dr:D05032
1270,D08505, Sapropterin (INN), Various alimentary tract and metabolism products,A16AX07,ALIMENTARY TRACT AND METABOLISM,[nH]1c([nH]c2c(c1=O)N[C@H](CN2)[C@H]([C@H](C)O)O)N,242.255,-0.6288,69.3368,139.19,22,7,6,WDFMZBWYGYRCLX-RPDRRWSUSA-N,C9H16N5O3,CC(C(C1CNc2c(N1)c(=O)[nH]c([nH]2)N)O)O,"InChI=1S/C9H16N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,14-16H,2H2,1H3,(H4,10,11,13,17)/t3-,4+,6-/m0/s1",-8.8955,-7.8597,-7.6937,-6.778,-5.7324,-5.6996,3.6885,3.9335,4.3197,4.376,4.4032,D08505_A16AX07,002a00000140180011000400000000080000001000000000000000000330010010001002a30000070006033000010000010200001000c000000000001000001008000800000010800320000002b0000b0030014002002002a00102000000000000200020040000000000000080001000000c0004000010000004000300000000,0400002c00a001,012840018001004200008000200000000000000000000000000000000000000000004400402804,000000012004300080d00a4e9b6b90411465c3fb1d,0,0,36,1,0,2,36,37,-11.287,-4.922,3,0.0,2.928e-05,-,0.8999,-,0.8999,https://www.genome.jp/dbget-bin/www_bget?dr:D08505
1271,D01798, Sapropterin dihydrochloride (USAN), Various alimentary tract and metabolism products,A16AX07,ALIMENTARY TRACT AND METABOLISM,[nH]1c([nH]c2c(c1=O)N[C@H](CN2)[C@H]([C@H](C)O)O)N,242.255,-0.6288,69.3368,139.19,22,7,6,WDFMZBWYGYRCLX-RPDRRWSUSA-N,C9H16N5O3,CC(C(C1CNc2c(N1)c(=O)[nH]c([nH]2)N)O)O,"InChI=1S/C9H16N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,14-16H,2H2,1H3,(H4,10,11,13,17)/t3-,4+,6-/m0/s1",-8.8996,-7.8596,-7.6883,-6.78,-5.7359,-5.7001,3.6975,3.9317,4.3087,4.3781,4.4029,D01798_A16AX07,002a00000140180011000400000000080000001000000000000000000330010010001002a30000070006033000010000010200001000c000000000001000001008000800000010800320000002b0000b0030014002002002a00102000000000000200020040000000000000080001000000c0004000010000004000300000000,0400002c00a001,012840018001004200008000200000000000000000000000000000000000000000004400402804,000000012004300080d00a4e9b6b90411465c3fb1d,0,0,36,1,0,2,36,37,-11.289000000000001,-4.92,3,0.0,2.92552e-05,-,0.8999,-,0.8999,https://www.genome.jp/dbget-bin/www_bget?dr:D01798
1272,D10127, Glycerol phenylbutyrate (USAN), Various alimentary tract and metabolism products,A16AX09,ALIMENTARY TRACT AND METABOLISM,O(CC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1)C(=O)CCCc1ccccc1,530.651,6.0533,151.535,78.9,44,0,6,ZSDBFLMJVAGKOU-UHFFFAOYSA-N,C33H38O6,O=C(OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1)CCCc1ccccc1,"InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2",-4.4519,-4.3718,-4.2032,-3.0572,-2.9849,-2.9619,1.5111,1.5268,1.5333,1.537,1.5733,D10127_A16AX09,00044000000000000a00020000020000200000000000000000000080000400001000400800000005000a00182001000001000000000040010000000200008200089008000000000000002000008000040090004000001008400808010028000040000000000000000000000040000800000301000a0500000000000140000100,04000000303005,020000000000000000009000000000000000000000000000000000000000000000000200402801,000000000000000080000001001020a4890a87571e,0,18,58,3,0,20,77,79,-9.853,0.408,0,-1.0,0.967512846,+,2.9822,-,2.9822,https://www.genome.jp/dbget-bin/www_bget?dr:D10127
1273,D09893, Eliglustat (USAN/INN), Various alimentary tract and metabolism products,A16AX10,ALIMENTARY TRACT AND METABOLISM,c12c(OCCO1)cc(cc2)[C@H]([C@H](NC(=O)CCCCCCC)C[NH+]1CCCC1)O,405.551,3.9753,119.399,72.23,42,3,5,FJZZPCZKBUKGGU-AUSIDOKSSA-O,C23H37N2O4+,CCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)C[NH+]1CCCC1,"InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/p+1/t19-,23-/m1/s1",-6.0102,-4.5889999999999995,-4.5521,-4.5438,-4.282,-3.8761,1.5812,1.7890000000000001,2.3849,2.6113,3.1477,D09893_A16AX10,00260000000002400b0006000002000c000080100000520000000080010000001800508b8100000730062038000100000102020002208800000000020000001008800c0005002801802000200ac080040090014000003008c0080800802900000c00002000020402104000c08010000000062104080110200872004b00000104,0500002c50f001,0328420204000000000080000a0000000000000000000000000000000000000000004600c02a04,0000000000003101804436ce9b79bf830dafcfff1f,0,6,61,1,0,12,66,68,-12.152000000000001,-3.676,2,0.0,0.339706004,+,1.6082,-,1.6082,https://www.genome.jp/dbget-bin/www_bget?dr:D09893
1274,D09894, Eliglustat tartrate (JAN/USAN), Various alimentary tract and metabolism products,A16AX10,ALIMENTARY TRACT AND METABOLISM,c12c(OCCO1)cc(cc2)[C@H]([C@H](NC(=O)CCCCCCC)C[NH+]1CCCC1)O,405.551,3.9753,119.399,72.23,42,3,5,FJZZPCZKBUKGGU-AUSIDOKSSA-O,C23H37N2O4+,CCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)C[NH+]1CCCC1,"InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/p+1/t19-,23-/m1/s1",-5.9563,-4.5935,-4.5276,-4.4824,-4.3517,-3.8296,1.5829,1.8998,2.2368,2.6362,3.1177,D09894_A16AX10,00260000000002400b0006000002000c000080100000520000000080010000001800508b8100000730062038000100000102020002208800000000020000001008800c0005002801802000200ac080040090014000003008c0080800802900000c00002000020402104000c08010000000062104080110200872004b00000104,0500002c50f001,0328420204000000000080000a0000000000000000000000000000000000000000004600c02a04,0000000000003101804436ce9b79bf830dafcfff1f,0,6,61,1,0,12,66,68,-12.162,-3.677,2,-1.0,0.339750856,+,1.6082,-,1.6082,https://www.genome.jp/dbget-bin/www_bget?dr:D09894
1275,D02277, Sodium benzoate (JP17/NF), Various alimentary tract and metabolism products,A16AX11,ALIMENTARY TRACT AND METABOLISM,c1(ccccc1)C(=O)O,122.12100000000001,1.3848,33.4013,37.3,7,1,2,WPYMKLBDIGXBTP-UHFFFAOYSA-N,C7H6O2,OC(=O)c1ccccc1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",-4.3941,-4.2717,-1.3332,-0.5534,-0.545,-0.5195,0.4881,0.4977,0.5115,0.5314,2.3224,D02277_A16AX11,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000000000000000000000020000000008000800000000000000000000800000008000400000000040080000000100000000000000000000004000000000000000020100000100000008000000000000,0400000c00b003,000000000000000000008800000000000001000000000000000000000000000000000240402800,00000000000000000000000000000004000400521e,0,6,8,1,0,1,15,15,-4.584,4.1610000000000005,0,1.0,3.4912400000000004e-08,-,0.1868,-,0.1868,https://www.genome.jp/dbget-bin/www_bget?dr:D02277
1276,D03798, Dicumarol (USAN), Vitamin K antagonists,B01AA01,BLOOD AND BLOOD FORMING ORGANS,c12c(oc(=O)c(c1O)Cc1c(c3c(oc1=O)cccc3)O)cccc2,336.295,2.9014,92.025,100.88,16,2,6,DOBMPNYZJYQDGZ-UHFFFAOYSA-N,C19H12O6,O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",-4.7161,-4.6995,-2.1925,-2.1049,-1.7129,-1.7073,1.1432,1.5826,1.5966,1.6364,1.7455,D03798_B01AA01,000400000000000202080201802000020000904a90004000004000a01200000810005800280002000800200a0000000000000220000000004200000220000000082000108020000080002000028400400080404020000008400808c0004008022802004100000002200140001302040000020100000108200820200000000000,0000000402b001,02000000000000000000a00000000000c00100000001a100000000000000000000004640403000,0000000000000001000000031201814484cda3561e,0,22,16,2,0,2,37,40,-9.068999999999999,-0.8440000000000001,0,-1.0,0.595718622,+,1.895,-,1.895,https://www.genome.jp/dbget-bin/www_bget?dr:D03798
1277,D08354, Phenindione (INN), Vitamin K antagonists,B01AA02,BLOOD AND BLOOD FORMING ORGANS,C1(c2ccccc2)C(=O)c2c(C1=O)cccc2,222.239,2.8494,64.39699999999999,34.14,12,0,2,NFBAXHOPROOJAW-UHFFFAOYSA-N,C15H10O2,O=C1C(c2ccccc2)C(=O)c2c1cccc2,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",-2.8481,-2.8476,-0.9705,-0.9703,-0.8829,-0.8825,0.4118,0.4122,0.9848,1.0604,1.0619,D08354_B01AA02,0005000000200080020002000000000000000000000000000100008000080000140040000040400040021208000140000100000008001000000000020000000000000200000000400010200000800005009000400000100840080800000900000000000000000000008000000000000000020100020100000008000100000000,14000000003001,040000000000010000000000000000000001000000000000000000000000000000004240402803,0000000000000020000000811001004080c0a1421e,0,12,15,2,0,1,27,29,-10.016,-0.97,0,-1.0,0.373464853,+,0.6082,-,0.6082,https://www.genome.jp/dbget-bin/www_bget?dr:D08354
1278,D08682, Warfarin (INN), Vitamin K antagonists,B01AA03,BLOOD AND BLOOD FORMING ORGANS,c1([C@H](c2ccccc2)CC(=O)C)c(c2c(oc1=O)cccc2)O,308.328,3.6096,88.581,67.51,19,1,4,PJVWKTKQMONHTI-HNNXBMFYSA-N,C19H16O4,CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1",-4.7343,-2.9864,-1.6989,-1.6017,-1.4315,-1.0461,0.9101,1.0572,1.0991,1.1241,1.1507,D08682_B01AA03,000400000000000202480205802000620000904a90004000004100a01218000810005800080000000802000a0001000001000200080000004000000220000000082000108020000080002000028400444090404020001008400808c0004808020802004100400006200140001302040000020100020108200820200100000000,1400000402b001,07000000000001000000a00000000000c00100000001a100000000000000000000004640403805,0000000000000001000000051201054488cda3d61e,0,17,22,2,0,4,39,41,-9.586,-1.094,1,0.0,0.5335870979999999,+,1.401,-,1.401,https://www.genome.jp/dbget-bin/www_bget?dr:D08682
1279,D00564, Warfarin sodium (USP), Vitamin K antagonists,B01AA03,BLOOD AND BLOOD FORMING ORGANS,c1([C@@H](CC(=O)C)c2ccccc2)c(c2c(oc1=O)cccc2)O,308.328,3.6096,88.581,67.51,18,1,4,PJVWKTKQMONHTI-HNNXBMFYSA-N,C19H16O4,CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1",-4.7206,-2.9896,-1.7041,-1.4703,-1.4382,-0.9841,0.9109,1.0517,1.1054,1.1088,1.2009999999999998,D00564_B01AA03,000400000000000202480205802000620000904a90004000004100a01218000810005800080000000802000a0001000001000200080000004000000220000000082000108020000080002000028400444090404020001008400808c0004808020802004100400006200140001302040000020100020108200820200100000000,1400000402b001,07000000000001000000a00000000000c00100000001a100000000000000000000004640403805,0000000000000001000000051201054488cda3d61e,0,17,22,2,0,4,39,41,-4.098,3.141,1,0.0,0.687214255,+,1.3302,-,1.3302,https://www.genome.jp/dbget-bin/www_bget?dr:D00564
1280,D01280, Warfarin potassium (JP17), Vitamin K antagonists,B01AA03,BLOOD AND BLOOD FORMING ORGANS,c1([C@@H](CC(=O)C)c2ccccc2)c(c2c(oc1=O)cccc2)O,308.328,3.6096,88.581,67.51,18,1,4,PJVWKTKQMONHTI-HNNXBMFYSA-N,C19H16O4,CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1",-4.7237,-2.987,-1.7049,-1.4373,-1.2534,-0.9722,0.9109999999999999,0.9647,1.0553,1.1081,1.143,D01280_B01AA03,000400000000000202480205802000620000904a90004000004100a01218000810005800080000000802000a0001000001000200080000004000000220000000082000108020000080002000028400444090404020001008400808c0004808020802004100400006200140001302040000020100020108200820200100000000,1400000402b001,07000000000001000000a00000000000c00100000001a100000000000000000000004640403805,0000000000000001000000051201054488cda3d61e,0,17,22,2,0,4,39,41,-4.098,3.1460000000000004,1,0.0,0.687214255,+,1.3302,-,1.3302,https://www.genome.jp/dbget-bin/www_bget?dr:D01280
1281,D05457, Phenprocoumon (USAN/INN), Vitamin K antagonists,B01AA04,BLOOD AND BLOOD FORMING ORGANS,c1cccc(c1)[C@H](c1c(=O)oc2c(c1O)cccc2)CC,280.318,4.0405,83.574,50.44,18,1,3,DQDAYGNAKTZFIW-CYBMUJFWSA-N,C18H16O3,CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1",-4.7356,-1.7034,-1.4329,-0.8439,-0.8007,-0.7384,0.4705,0.4847,0.8462,0.9084,1.0562,D05457_B01AA04,000400000000000202080201802000220000904a90004000004000a01200000810005800080000000800000a0001000001000200000000004000000220000000082000108020000080002000028400404080404020001008400808c0004808020802004100400002200140001302040000020100000108200820200000000000,0000000402b001,07000000000000000000a00000000000c00100000001a100000000000000000000004640403004,0000000000000001000000051201034400c5a3d61e,0,17,21,1,0,3,37,39,-9.346,-1.046,1,0.0,0.6387287970000001,+,1.0827,-,1.0827,https://www.genome.jp/dbget-bin/www_bget?dr:D05457
1282,D07064, Acenocoumarol (INN), Vitamin K antagonists,B01AA07,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)oc(=O)c(c2O)[C@@H](c1ccc(cc1)[N](=O)O)CC(=O)C,354.333,3.9324,95.8225,117.17,21,2,4,ZNNILVZOYNUXFB-OAHLLOKOSA-N,C19H16NO6,CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N](=O)O,"InChI=1S/C19H16NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3,(H,24,25)/t15-/m1/s1",-5.279,-4.7257,-4.2891,-2.984,-1.7019,-1.5015,1.0852,1.112,1.1353,1.6345,2.0511,D07064_B01AA07,000400040000000202480605802000631000904a90004000004100e01218000810005800080000200802000a000102400100020008000000400000022000000018200010c02110208000200002840144409040402400100c600808c0004808160802004100400006200140001302040000020140020108201828200102000000,1500000402f001,07000000000001000000a00000000000c00100000001a100000000000000000000004640c03a05,0000800000008141700000253201454edecdabfe1f,0,17,24,3,0,5,42,44,-9.988999999999999,-1.625,1,0.0,0.775536239,+,1.0979,-,1.0979,https://www.genome.jp/dbget-bin/www_bget?dr:D07064
1283,D07131, Ethyl biscoumacetate (INN), Vitamin K antagonists,B01AA08,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)c(c(c(=O)o2)C(c1c(=O)oc2c(c1O)cccc2)C(=O)OCC)O,408.358,3.0056,107.73100000000001,127.18,22,2,8,JCLHQFUTFHUXNN-UHFFFAOYSA-N,C22H16O8,CCOC(=O)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2,"InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3",-4.7214,-4.7192,-4.4021,-2.9763,-1.7604,-1.7,1.4653,1.5359,1.7391,1.7486,1.9383,D07131_B01AA08,000400000020000202080201802200820000904a90004000004400a0120c00081000580028000201080a200a2000010000008220080000044200000220000208082008108020044080002000028400410091404020000008400808c0004008026802004100000002200140005302060000020100000109300820200001000000,0400000432b005,05000000000000000000b00000000000c00100000001a100000000000000000000004640403801,0000000000000001000000011211836484cda3d71e,0,22,24,3,0,5,46,49,-9.422,-1.032,0,-2.0,0.710751951,+,2.4963,-,2.4963,https://www.genome.jp/dbget-bin/www_bget?dr:D07131
1284,D07135, Clorindione (INN), Vitamin K antagonists,B01AA09,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)C(=O)C(C2=O)c1ccc(cc1)Cl,256.684,3.5028,69.407,34.14,11,0,2,NJDUWAXIURWWLN-UHFFFAOYSA-N,C15H9ClO2,O=C1C(c2ccc(cc2)Cl)C(=O)c2c1cccc2,"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",-2.8483,-2.8479,-0.9705,-0.9704,-0.8836,-0.8835,0.4113,0.4118,0.985,1.0614,1.0625,D07135_B01AA09,0005020000200080020002000000000000000000000004000100008000280000140040000040400040031208000140000100000008001000000000020000000000000200000000400010200024800007009800400000100840080800000900000000000000000000008000000000000000020100020100000008000100800000,14000000003001,040000000000010000000000000000000001000000040000000000000000000000004240402803,00000000000000200000408150050040a0c0a1421e,0,12,15,2,0,1,27,29,-9.949,-1.07,0,0.0,0.57470268,+,0.5615,-,0.5615,https://www.genome.jp/dbget-bin/www_bget?dr:D07135
1285,D07136, Diphenadione (INN), Vitamin K antagonists,B01AA10,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)C(=O)C(C2=O)C(=O)C(c1ccccc1)c1ccccc1,340.371,4.083,98.698,51.21,19,0,3,JYGLAHSAISAEAL-UHFFFAOYSA-N,C23H16O3,O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1,"InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H",-2.9782,-2.8461,-2.8419,-1.2464,-1.1951,-1.1715,1.0829,1.0902,1.0975,1.1999,1.4343,D07136_B01AA10,000440000020008002000200820000000000004000000000010000a000080000140040000040000040020208000140000100000008201000000000020000000000000200200000400010200000800005009000400000100840080800000900000000000100000001008000000000000000020100020100000008000100000100,14000000003001,040000000000010000000000000000000001000000000000000000000000000000004240402803,0000000000000000000000811001004080c0a3421e,0,18,24,3,0,4,42,45,-9.793,-1.069,0,1.0,0.862903655,+,1.3867,-,1.3867,https://www.genome.jp/dbget-bin/www_bget?dr:D07136
1286,D07137, Tioclomarol (INN), Vitamin K antagonists,B01AA11,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)oc(=O)c(c2O)[C@@H](C[C@@H](c1ccc(cc1)Cl)O)c1ccc(s1)Cl,447.33099999999996,6.1225,117.12,98.91,19,2,5,WRGOVNKNTPWHLZ-HOTGVXAUSA-N,C22H16Cl2O4S,Clc1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(s1)Cl)O,"InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2/t15-,16-/m0/s1",-4.8187,-2.9107,-1.7037,-1.4523,-1.3565,-0.9554,0.9309999999999999,0.9504,1.064,1.1535,1.2192,D07137_B01AA11,1004c7000000004a02480315802100620505904a90004400004000a51220000e1000580048000001a90108ca0009000005000200000050004a0820022008000008200a108020000080002080b6940442c08860c020023008400848c00049080209a2004180400002204140001382040000220100020108200822200100800102,0000002c02b001,06280000000000000000a00000000000c00100000005e100000000000000000000004640403004,00000000080000010000c585d20581442ccda3561e,0,22,25,1,0,5,45,48,-9.522,-1.276,2,0.0,0.990927875,+,2.6045,-,2.6045,https://www.genome.jp/dbget-bin/www_bget?dr:D07137
1287,D07969, Fluindione (INN), Vitamin K antagonists,B01AA12,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)C(=O)C(C2=O)c1ccc(cc1)F,240.229,2.9885,64.355,34.14,11,0,2,NASXCEITKQITLD-UHFFFAOYSA-N,C15H9FO2,O=C1C(c2ccc(cc2)F)C(=O)c2c1cccc2,"InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",-2.8488,-2.8482,-0.9705,-0.9703,-0.8836,-0.8834,0.4113,0.4118,0.985,1.0615,1.0625,D07969_B01AA12,0007000000200080028002000000000001000000000000000100008000080000140040000040400040021208000140000100100008001000800000020000000000000200000000400010200000800005009000400000100840080800000900000000000000000000108000000000000000020102020110000008000100000000,14000000003001,040000000000010000000000000000000001000000080000000000000000000000004240402803,00000000000200200000408110050040a0c0a1421e,1,12,15,2,0,1,27,29,-9.945,-1.065,0,0.0,0.45527342,-,0.755,-,0.755,https://www.genome.jp/dbget-bin/www_bget?dr:D07969
1288,D07138, Ditazole (INN), Platelet aggregation inhibitors excl. heparin,B01AC01,BLOOD AND BLOOD FORMING ORGANS,o1c(c(nc1N(CCO)CCO)c1ccccc1)c1ccccc1,324.374,2.7996,93.5196,69.73,24,2,5,UUCMDZWCRNZCOY-UHFFFAOYSA-N,C19H20N2O3,OCCN(c1nc(c(o1)c1ccccc1)c1ccccc1)CCO,"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2",-4.9554,-3.4692,-2.9706,-2.9695,-1.9655,-1.9236,1.4242,1.8051,1.9238,2.7057,2.7595,D07138_B01AC01,00020000011804c0010006020e4000006000001800020004004008a001000400200250040088002628210008000028040800a0500006400400700002000002108e000d8000082320000030000214020002800040806020005008046000430000040088010014000048c00010810000011806210080210a801110080002004000,0000001c00b021,00180000800000000000000000000000000010000000b000000000000000000000000600402000,0000000010000021011036c48872b0835da7af7d1f,0,17,29,0,0,7,44,46,-8.414,-0.273,0,0.0,0.410230815,+,0.7679,-,0.7679,https://www.genome.jp/dbget-bin/www_bget?dr:D07138
1289,D07139, Cloricromen (INN), Platelet aggregation inhibitors excl. heparin,B01AC02,BLOOD AND BLOOD FORMING ORGANS,c1(ccc2c(c1Cl)oc(=O)c(c2C)CC[NH+](CC)CC)OCC(=O)OCC,396.885,2.1639,107.81299999999999,70.18,31,1,5,GYNNRVJJLAVVTQ-UHFFFAOYSA-O,C20H27ClNO5+,CCOC(=O)COc1ccc2c(c1Cl)oc(=O)c(c2C)CC[NH+](CC)CC,"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3/p+1",-6.0462,-4.7285,-4.5911,-4.5745,-4.5135,-4.4776,1.5669,1.5684,1.5685,1.7809,2.0177,D07139_B01AC02,000602000000000002080601002200463000900a3900040000c80080102400081000588908402004080b201a00400000000202000200000a400000822002020008080810a1802001800020000684804a00c840402000240c4008084080600e025002004000000006200150003312070000064100080118200820200040800004,0500000070f005,03004202040000000000b00000000000000100000004a100000000000000000000004640c03a00,000000000000010180007201da5d2b66a9dbfff71f,0,11,42,2,0,10,54,55,-11.752,-3.7910000000000004,0,0.0,0.112333894,+,1.0509,-,1.0509,https://www.genome.jp/dbget-bin/www_bget?dr:D07139
1290,D07736, Cloricromen hydrohloride, Platelet aggregation inhibitors excl. heparin,B01AC02,BLOOD AND BLOOD FORMING ORGANS,c1(ccc2c(c1Cl)oc(=O)c(c2C)CC[NH+](CC)CC)OCC(=O)OCC,396.885,2.1639,107.81299999999999,70.18,31,1,5,GYNNRVJJLAVVTQ-UHFFFAOYSA-O,C20H27ClNO5+,CCOC(=O)COc1ccc2c(c1Cl)oc(=O)c(c2C)CC[NH+](CC)CC,"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3/p+1",-6.0299,-4.7266,-4.5876,-4.5234,-4.4969,-4.4821,1.5657,1.5678,1.5768,1.6461,2.003,D07736_B01AC02,000602000000000002080601002200463000900a3900040000c80080102400081000588908402004080b201a00400000000202000200000a400000822002020008080810a1802001800020000684804a00c840402000240c4008084080600e025002004000000006200150003312070000064100080118200820200040800004,0500000070f005,03004202040000000000b00000000000000100000004a100000000000000000000004640c03a00,000000000000010180007201da5d2b66a9dbfff71f,0,11,42,2,0,10,54,55,-11.752,-3.7910000000000004,0,1.0,0.11233246300000001,+,1.0509,-,1.0509,https://www.genome.jp/dbget-bin/www_bget?dr:D07736
1291,D07140, Picotamide (BAN), Platelet aggregation inhibitors excl. heparin,B01AC03,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(c(c1)C(=O)NCc1cnccc1)OC)C(=O)NCc1cccnc1,376.409,3.127,103.49,93.21,27,2,7,KYWCWBXGRWWINE-UHFFFAOYSA-N,C21H20N4O3,COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1,"InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)",-4.1296,-4.1148,-3.8374,-3.8369999999999997,-3.6634,-3.6499,1.3983,1.4074,1.4222,1.4418,2.6003,D07140_B01AC03,000200800000048401000600000340000000008000082208000000c0000004000c00400000008020008e0208000000c0000002000008200004000002002002000c2004080104000100000000028800000080004004002009400c1000000000000014000200408412000102000110040010060100094100200888800102000010,0400000050b001,0000020000000000000080000a0000004001000000009000000000000000000000000640402800,0000000000000000018002190b20916184e3e3ff1f,0,18,30,2,0,9,48,50,-9.833,-0.562,0,-1.0,0.5709778670000001,+,1.0043,-,1.0043,https://www.genome.jp/dbget-bin/www_bget?dr:D07140
1292,D07729, Clopidogrel (USP/INN), Platelet aggregation inhibitors excl. heparin,B01AC04,BLOOD AND BLOOD FORMING ORGANS,[N@@H+]1([C@@H](c2c(cccc2)Cl)C(=O)OC)Cc2c(CC1)scc2,322.83,3.826,89.9207,58.98,19,1,3,GKTWGGQPFAXNFI-HNNXBMFYSA-O,C16H17ClNO2S+,COC(=O)C(c1ccccc1Cl)[NH+]1CCc2c(C1)ccs2,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/p+1/t15-/m0/s1",-6.2567,-6.1877,-6.0305,-4.553999999999999,-4.4264,-3.5261,2.1276,2.1635,2.228,2.6968,2.772,D07729_B01AC04,0106c3000060043802000600000300040501008000400100000200c400a000021000408100410013809b2858100c0200058200000040000428000002012202180840080000340cc2010020009ea8000380ba00c0000220084008480080002000401000028000000000000000e200100000060110040910000000000008800100,0500000030f005,02004002040000000000900000000000000000000004c000000000000000000000004600c02a04,00000000080001000004f7d4da45a0a721836dfb1f,0,11,28,1,0,4,38,40,-12.767999999999999,-4.381,2,0.0,0.001773611,-,0.6511,-,0.6511,https://www.genome.jp/dbget-bin/www_bget?dr:D07729
1293,D00769, Clopidogrel bisulfate (USAN), Platelet aggregation inhibitors excl. heparin,B01AC04,BLOOD AND BLOOD FORMING ORGANS,[N@@H+]1([C@@H](c2c(cccc2)Cl)C(=O)OC)Cc2c(CC1)scc2,322.83,3.826,89.9207,58.98,19,1,3,GKTWGGQPFAXNFI-HNNXBMFYSA-O,C16H17ClNO2S+,COC(=O)C(c1ccccc1Cl)[NH+]1CCc2c(C1)ccs2,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/p+1/t15-/m0/s1",-6.2782,-6.1923,-6.0287,-4.5352,-4.4399,-3.495,2.1082,2.1556,2.2175,2.6654,2.6948,D00769_B01AC04,0106c3000060043802000600000300040501008000400100000200c400a000021000408100410013809b2858100c0200058200000040000428000002012202180840080000340cc2010020009ea8000380ba00c0000220084008480080002000401000028000000000000000e200100000060110040910000000000008800100,0500000030f005,02004002040000000000900000000000000000000004c000000000000000000000004600c02a04,00000000080001000004f7d4da45a0a721836dfb1f,0,11,28,1,0,4,38,40,-12.765,-4.382,2,,0.001772648,-,0.6511,-,0.6511,https://www.genome.jp/dbget-bin/www_bget?dr:D00769
1294,D08594, Ticlopidine (INN), Platelet aggregation inhibitors excl. heparin,B01AC05,BLOOD AND BLOOD FORMING ORGANS,c1ccc(c(c1)Cl)C[N@H+]1CCc2c(C1)ccs2,264.79400000000004,4.1119,79.0217,32.68,15,1,1,PHWBOXQYWZNQIN-UHFFFAOYSA-O,C14H15ClNS+,Clc1ccccc1C[NH+]1CCc2c(C1)ccs2,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2/p+1",-6.2164,-6.0419,-5.8943,-4.553,-1.1974,-0.9747,1.5704,1.847,1.9792,2.0526,2.1574,D08594_B01AC05,0106c3000000043802000600000100040401008000400100000200c400a0000210004081004100008091285800080200058200000040000028000002012200000040000000340002010020009e280002808800c00002200040084800800000000010000280000000000000002200100000060110040910000000000008800100,0100000000f001,02004002040000000000000000000000000000000004c000000000000000000000004600c02204,00000000080001000004f784da45a08321836d2517,0,11,23,0,0,2,32,34,-12.754000000000001,-3.966,1,1.0,0.039060086,+,0.522,-,0.522,https://www.genome.jp/dbget-bin/www_bget?dr:D08594
1295,D01028, Ticlopidine hydrochloride (JP17/USAN), Platelet aggregation inhibitors excl. heparin,B01AC05,BLOOD AND BLOOD FORMING ORGANS,c1ccc(c(c1)Cl)C[N@H+]1CCc2c(C1)ccs2,264.79400000000004,4.1119,79.0217,32.68,15,1,1,PHWBOXQYWZNQIN-UHFFFAOYSA-O,C14H15ClNS+,Clc1ccccc1C[NH+]1CCc2c(C1)ccs2,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2/p+1",-6.2168,-6.0422,-5.8954,-4.552,-1.1973,-0.9747,1.5703,1.8475,1.9792,2.0523,2.1568,D01028_B01AC05,0106c3000000043802000600000100040401008000400100000200c400a0000210004081004100008091285800080200058200000040000028000002012200000040000000340002010020009e280002808800c00002200040084800800000000010000280000000000000002200100000060110040910000000000008800100,0100000000f001,02004002040000000000000000000000000000000004c000000000000000000000004600c02204,00000000080001000004f784da45a08321836d2517,0,11,23,0,0,2,32,34,-12.753,-3.965,1,0.0,0.038980614,+,0.522,-,0.522,https://www.genome.jp/dbget-bin/www_bget?dr:D01028
1296,D00302, Dipyridamole (JP17/USP/INN), Platelet aggregation inhibitors excl. heparin,B01AC07,BLOOD AND BLOOD FORMING ORGANS,c12c(c(N3CCCCC3)nc(n2)N(CCO)CCO)nc(nc1N1CCCCC1)N(CCO)CCO,504.626,0.1124,146.315,145.44,52,4,12,IZEKFCXSFNUWAM-UHFFFAOYSA-N,C24H40N8O4,OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",-6.2759,-6.2184,-4.8301,-4.819,-4.8004,-4.8003,3.1407,3.1462,3.1481,3.1727,3.2072,D00302_B01AC07,c0060000001000400218460008000200c000001000040000000010000200000010003000404880232000045c000010400502a0800000600808400000000004100c000c000100220000000000021000040010015004002001c0000020000140008008100000a0000010e00000c80008222006080800211800011080010a400100,0000001c00b021,021800008000000000000000000000010000000000009000000000000000000000004600402000,000000012000002001d432449a53a0835d2f0f7d1f,0,11,68,0,0,12,76,79,-7.761,-0.301,0,0.0,0.107953966,-,3.9432,-,3.9432,https://www.genome.jp/dbget-bin/www_bget?dr:D00302
1297,D03385, Carbaspirin calcium (USAN), Platelet aggregation inhibitors excl. heparin,B01AC08,BLOOD AND BLOOD FORMING ORGANS,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4273,-4.3959,-4.2551,-1.59,-1.5759999999999998,-1.3331,0.8215,1.0891,1.443,1.4684,2.3275,D03385_B01AC08,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6689999999999996,0,0.0,1.88661e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D03385
1298,D03385, Carbaspirin calcium (USAN), Salicylic acid and derivatives,N02BA15,NERVOUS SYSTEM,c1(c(cccc1)OC(=O)C)C(=O)O,180.157,1.3101,44.9003,63.6,11,1,4,BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,CC(=O)Oc1ccccc1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",-4.4321,-4.4096,-4.2288,-2.4924,-2.1744,-1.5859999999999999,1.0316,1.7378,2.0902,2.1259,2.3368,D03385_N02BA15,00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000000000010000016480cca2d21e,0,6,13,2,0,3,21,21,-4.697,3.6689999999999996,0,0.0,1.88661e-07,-,0.2905,-,0.2905,https://www.genome.jp/dbget-bin/www_bget?dr:D03385
1299,D00106, Epoprostenol (USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC09,BLOOD AND BLOOD FORMING ORGANS,[C@H]12[C@@H](O/C(=C\CCCC(=O)O)/C2)C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)O,352.465,3.4085,98.2584,86.99,36,3,5,KAQKFAOMNZTLHT-OZUDYXHBSA-N,C20H32O5,CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)O2)O,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",-4.5517,-4.4643,-2.8893,-1.936,-1.3399,-1.1526,1.0041,1.1482,1.1873,1.2417,2.3916,D00106_B01AC09,00000000000002240000000140420000000000800042400000040080001420001000000000800001000a0000200000000120000010604011000000000400800008100801040408020000800200800284009000400002000848801001000000000204002800000000000000004100280001010180000800000000048140000100,0400002c30a003,172800000000000000028800000000000000000000000000000000000000000000004400432804,00000000000000010008048794092ec40d4da6d618,0,0,55,3,0,10,57,58,-4.135,2.274,5,1.0,0.000423929,-,1.2407,-,1.2407,https://www.genome.jp/dbget-bin/www_bget?dr:D00106
1300,D01337, Epoprostenol sodium (JAN/USAN), Platelet aggregation inhibitors excl. heparin,B01AC09,BLOOD AND BLOOD FORMING ORGANS,[C@H]12[C@@H](O/C(=C\CCCC(=O)O)/C2)C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)O,352.465,3.4085,98.2584,86.99,36,3,5,KAQKFAOMNZTLHT-OZUDYXHBSA-N,C20H32O5,CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)O2)O,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",-4.5766,-4.4887,-2.8777,-1.9348,-1.3428,-1.1649,0.9275,0.9928,1.2096,1.2403,2.3772,D01337_B01AC09,00000000000002240000000140420000000000800042400000040080001420001000000000800001000a0000200000000120000010604011000000000400800008100801040408020000800200800284009000400002000848801001000000000204002800000000000000004100280001010180000800000000048140000100,0400002c30a003,172800000000000000028800000000000000000000000000000000000000000000004400432804,00000000000000010008048794092ec40d4da6d618,0,0,55,3,0,10,57,58,-4.1339999999999995,2.274,5,-1.0,0.000423747,-,1.2226,-,1.2226,https://www.genome.jp/dbget-bin/www_bget?dr:D01337
1301,D07141, Indobufen (INN), Platelet aggregation inhibitors excl. heparin,B01AC10,BLOOD AND BLOOD FORMING ORGANS,c1ccc2c(c1)CN(C2=O)c1ccc(cc1)[C@H](CC)C(=O)O,295.332,3.4902,87.6963,57.61,20,1,4,AYDXAULLCROVIT-HNNXBMFYSA-N,C18H17NO3,CCC(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C(=O)O,"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m0/s1",-4.5473,-4.4238,-3.6725,-2.6621,-2.0947,-1.3357,0.6938,1.2666,1.4719,1.6395,2.3719,D07141_B01AC10,000600002020048003000600008100008000008000000000000020c0000000001c00400000200121808e0208000112c0010000000000400800000002002004080800080040040440008030000288000500d000400400380840080800000800000010000280000000008000004000000000060150000100000008800002400000,0400000c00b003,070000000000000000008800200000000001000000000000000000000000000000004640403804,00000000000000200004148a18211247d0c52bff1f,0,12,27,2,0,4,39,41,-4.519,1.483,1,0.0,0.000161015,-,0.961,-,0.961,https://www.genome.jp/dbget-bin/www_bget?dr:D07141
1302,D02721, Iloprost (USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC11,BLOOD AND BLOOD FORMING ORGANS,[C@H]1([C@@H]2[C@H](C[C@H]1O)C/C(=C\CCCC(=O)O)/C2)/C=C/[C@H]([C@@H](CC#CC)C)O,360.48699999999997,3.5413,104.949,77.76,35,3,4,HIFJCPQKFCZDDL-GBSCXWAGSA-N,C22H32O4,CC#CCC(C(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)O)C,"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1",-4.5563,-4.4347,-2.8695,-1.9196,-1.3348,-1.1498,0.9973,1.0802,1.1805,1.235,2.3724,D02721_B01AC11,00000000000802240040000100000000000000800042600008040000001020001000000000880001000a0000080000000100000010204000000000000000000008000800040400000000800000800204081000408002000008801000000000000204002800002000000000000020480000000000000800000000000100020100,0400002c00a003,372800000000000000008800000000000000000000000000000000000000000000004000432804,00000100000002000008008694012cc40d4cb6d618,0,0,55,3,1,8,58,59,-4.362,2.742,6,0.0,0.001914479,-,1.0924,-,1.0924,https://www.genome.jp/dbget-bin/www_bget?dr:D02721
1303,D08065, Iloprost tromethamine, Platelet aggregation inhibitors excl. heparin,B01AC11,BLOOD AND BLOOD FORMING ORGANS,[C@H]1([C@@H]2[C@H](C[C@H]1O)C/C(=C\CCCC(=O)O)/C2)/C=C\[C@H]([C@@H](CC#CC)C)O,360.48699999999997,3.5413,104.949,77.76,35,3,4,HIFJCPQKFCZDDL-GBSCXWAGSA-N,C22H32O4,CC#CCC(C(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)O)C,"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1",-4.5809,-4.4341,-2.8723,-1.9191,-1.8686,-1.2590000000000001,1.0643,1.1069,1.173,1.2351,2.3957,D08065_B01AC11,00000000000802240040000100000000000000800042600008040000001020001000000000880001000a0000080000000100000010204000000000000000000008000800040400000000800000800204081000408002000008801000000000000204002800002000000000000020480000000000000800000000000100020100,0400002c00a003,372800000000000000008800000000000000000000000000000000000000000000004000432804,00000100000002000008008694012cc40d4cb6d618,0,0,55,3,1,8,58,59,-4.376,2.7289999999999996,6,1.0,0.0018947170000000002,-,1.0924,-,1.0924,https://www.genome.jp/dbget-bin/www_bget?dr:D08065
1304,D06888, Eptifibatide (INN), Platelet aggregation inhibitors excl. heparin,B01AC16,BLOOD AND BLOOD FORMING ORGANS,C1C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)[C@@H]2N(C(=O)N[C@@H](CSSC1)C(=O)N)CCC2)Cc1c2c([nH]c1)cccc2)CC(=O)O)CCCCNC(=[NH2])N,832.97,2.4785,235.926,376.66,70,11,20,MMGHDLVFILSADB-LFEPYJTBSA-N,C35H50N11O9S2,OC(=O)CC1NC(=O)CNC(=O)C(CCCCNC(=[NH2])N)NC(=O)CCSSCC(NC(=O)N2C(C(=O)C(NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N,"InChI=1S/C35H50N11O9S2/c36-31(52)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-34(37)38)32(53)41-17-28(48)43-24(15-29(49)50)33(54)44-23(14-19-16-40-21-7-2-1-6-20(19)21)30(51)26-9-5-12-46(26)35(55)45-25/h1-2,6-7,16,22-26,39-40H,3-5,8-15,17-18,37-38H2,(H2,36,52)(H,41,53)(H,42,47)(H,43,48)(H,44,54)(H,45,55)(H,49,50)/t22-,23-,24-,25+,26-/m1/s1",-12.5321,-12.5185,-10.8603,-6.207000000000001,-6.1985,-6.1898,3.8029,3.8125,3.8763,5.0108,5.0775,D06888_B01AC16,202ec10300421ea0338006001200000c200000100004004800008080013805001800509b83068021388e3d384001004001234c005824e00001000002000000000c001c0040000080012864001ab8001e00b0014004003008e2090b02800a50000c200020042000001001000000111400100f914502011060103c008102000700,1400000c00b243,0200c0004000010000008800260000400040040000008400000000800000000000004600402804,002000011804300005f09ece9963f0cf8d6fee7f1f,0,10,91,9,0,11,107,110,-5.715,-3.9789999999999996,5,1.0,0.094640277,-,12.9089,-,12.9089,https://www.genome.jp/dbget-bin/www_bget?dr:D06888
1305,D08607, Tirofiban (INN), Platelet aggregation inhibitors excl. heparin,B01AC17,BLOOD AND BLOOD FORMING ORGANS,c1(C[C@H](NS(=O)(=O)CCCC)C(=O)O)ccc(cc1)OCCCCC1CC[NH2+]CC1,441.605,4.9652,124.301,117.69,42,3,6,COKMIXFXJJXBQG-NRFANRHFSA-O,C22H37N2O5S+,CCCCS(=O)(=O)NC(C(=O)O)Cc1ccc(cc1)OCCCCC1CC[NH2+]CC1,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/p+1/t21-/m0/s1",-10.5254,-8.7137,-8.5469,-5.7010000000000005,-5.6988,-5.364,2.8325,2.8967,3.1221,3.3967,3.4432,D08607_B01AC17,600601010000020002000600000200040c000010000012000000008000080002700054d140010003110a009c00010400014602000820600000000002000080000820080001000091010084000380800400b0015000243008c0084800000804000000002000000702000000020090080002273101080110200800002540000004,0500000c50f003,070042010400000000008800000000000000000000000000000024000000000000000600c02a04,000000800100651a1401aa66aad23fed8f6fcfff1f,0,6,59,3,0,14,67,68,-5.796,-3.1439999999999997,1,0.0,0.015853282,-,1.6823,-,1.6823,https://www.genome.jp/dbget-bin/www_bget?dr:D08607
1306,D01029, Tirofiban hydrochloride (USAN), Platelet aggregation inhibitors excl. heparin,B01AC17,BLOOD AND BLOOD FORMING ORGANS,c1(C[C@H](NS(=O)(=O)CCCC)C(=O)O)ccc(cc1)OCCCCC1CC[NH2+]CC1,441.605,4.9652,124.301,117.69,42,3,6,COKMIXFXJJXBQG-NRFANRHFSA-O,C22H37N2O5S+,CCCCS(=O)(=O)NC(C(=O)O)Cc1ccc(cc1)OCCCCC1CC[NH2+]CC1,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/p+1/t21-/m0/s1",-10.2719,-8.6428,-8.6124,-5.6987,-5.6922,-5.3766,2.7877,3.1542,3.2624,3.4404,3.5928,D01029_B01AC17,600601010000020002000600000200040c000010000012000000008000080002700054d140010003110a009c00010400014602000820600000000002000080000820080001000091010084000380800400b0015000243008c0084800000804000000002000000702000000020090080002273101080110200800002540000004,0500000c50f003,070042010400000000008800000000000000000000000000000024000000000000000600c02a04,000000800100651a1401aa66aad23fed8f6fcfff1f,0,6,59,3,0,14,67,68,-5.791,-3.1439999999999997,1,,0.0020707110000000003,-,1.6823,-,1.6823,https://www.genome.jp/dbget-bin/www_bget?dr:D01029
1307,D07142, Triflusal (INN), Platelet aggregation inhibitors excl. heparin,B01AC18,BLOOD AND BLOOD FORMING ORGANS,c1cc(cc(c1C(=O)O)OC(=O)C)C(F)(F)F,248.155,2.3289,49.9023,63.6,10,1,4,RMWVZGDJPAKBDE-UHFFFAOYSA-N,C10H7F3O4,CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F,"InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)",-4.4291,-4.3882,-4.2748,-4.1877,-4.186,-4.1816,1.4516,1.4523,1.8246,2.0757,2.3207,D07142_B01AC18,00020010004010c00000020000030000010000900009000000000080000000000400400000000010200a020800000000000242000000080000800002000002000c200800010001018000000102828002288000400000000050080000000100000008000000042002004002000010000000020540080110200808004000000004,0400000c50b007,010100000000000000009800000000004001000000000000000000000000000000000240602801,00000000000200000000000100860164a0cca2d21e,3,6,16,2,0,4,24,24,-5.157,2.714,0,0.0,1.1310999999999999e-05,-,0.609,-,0.609,https://www.genome.jp/dbget-bin/www_bget?dr:D07142
1308,D02720, Beraprost (USAN), Platelet aggregation inhibitors excl. heparin,B01AC19,BLOOD AND BLOOD FORMING ORGANS,c12c(cccc1CCCC(=O)O)[C@H]1[C@@H](O2)C[C@H]([C@@H]1/C=C/[C@H]([C@H](CC#CC)C)O)O,398.49199999999996,3.2859,112.52600000000001,86.99,34,3,5,CTPOHARTNNSRSR-NOQAJONNSA-N,C24H30O5,CC#CCC(C(C=CC1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C,"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1",-4.5852,-4.4238,-2.8643,-1.9233,-1.7754,-1.7063,1.2151,1.2376,1.3168,2.0833,2.385,D02720_B01AC19,000441000008022402400301020300000400808000406004080400c0001020001004400240880001000a0008080100000120020010204015008000220000800818200800050404110000a0000280820448900040800210084a0818010008000042060028000020020000008241306800000311800a0900200800008100120104,0400002c50b003,372802000000000000008800000000000000000000000000000000000000000000004600432804,00000100000000010000048794012d440ccdb6d61e,0,6,52,2,1,8,59,61,-4.166,1.922,6,1.0,0.003200444,-,1.0864,-,1.0864,https://www.genome.jp/dbget-bin/www_bget?dr:D02720
1309,D01551, Beraprost sodium (JP17/USAN), Platelet aggregation inhibitors excl. heparin,B01AC19,BLOOD AND BLOOD FORMING ORGANS,c12c(cccc1CCCC(=O)O)[C@H]1[C@@H](O2)C[C@H]([C@@H]1/C=C/[C@H]([C@H](CC#CC)C)O)O,398.49199999999996,3.2859,112.52600000000001,86.99,34,3,5,CTPOHARTNNSRSR-NOQAJONNSA-N,C24H30O5,CC#CCC(C(C=CC1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C,"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1",-4.5629,-4.4322,-2.8817,-1.9266,-1.3804,-1.3349,1.149,1.185,1.2385,1.4582,2.3773,D01551_B01AC19,000441000008022402400301020300000400808000406004080400c0001020001004400240880001000a0008080100000120020010204015008000220000800818200800050404110000a0000280820448900040800210084a0818010008000042060028000020020000008241306800000311800a0900200800008100120104,0400002c50b003,372802000000000000008800000000000000000000000000000000000000000000004600432804,00000100000000010000048794012d440ccdb6d61e,0,6,52,2,1,8,59,61,-4.162,1.9080000000000001,6,,0.00320113,-,1.068,-,1.068,https://www.genome.jp/dbget-bin/www_bget?dr:D01551
1310,D06213, Treprostinil (JAN/USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC21,BLOOD AND BLOOD FORMING ORGANS,c1cc(c2c(c1)C[C@H]1[C@@H](C2)C[C@H]([C@@H]1CC[C@H](CCCCC)O)O)OCC(=O)O,390.51300000000003,3.5832,110.031,86.99,38,3,5,PAJMKGZZBBTTOY-ZFORQUDYSA-N,C23H34O5,CCCCCC(CCC1C(O)CC2C1Cc1cccc(c1C2)OCC(=O)O)O,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",-4.5724,-4.3871,-1.9289,-1.9202,-1.4303,-1.3730000000000002,1.053,1.078,1.3359999999999999,2.1378,2.3563,D06213_B01AC21,000400000000020002400201020300000000800008000000010000c0000000001004400800400005000a0008000100000102020000204800008000820002000008200800210020018000a0220280800040c000400000140840080800100801000102000000000002020000c000100800000201000a0100200800004300000004,0400002c50b003,072802000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000008000008690192fe40dcca7d71e,0,6,57,1,0,10,62,64,-4.503,3.3989999999999996,5,1.0,0.002134615,+,1.3645,-,1.3645,https://www.genome.jp/dbget-bin/www_bget?dr:D06213
1311,D08628, Treprostinil monosodium salt, Platelet aggregation inhibitors excl. heparin,B01AC21,BLOOD AND BLOOD FORMING ORGANS,c1cc(c2c(c1)C[C@H]1[C@@H](C2)C[C@H]([C@@H]1CC[C@H](CCCCC)O)O)OCC(=O)O,390.51300000000003,3.5832,110.031,86.99,38,3,5,PAJMKGZZBBTTOY-ZFORQUDYSA-N,C23H34O5,CCCCCC(CCC1C(O)CC2C1Cc1cccc(c1C2)OCC(=O)O)O,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",-4.5392,-4.4601,-1.9295,-1.9239,-1.4056,-1.3445,1.0465,1.0706,1.3121,2.1217,2.3618,D08628_B01AC21,000400000000020002400201020300000000800008000000010000c0000000001004400800400005000a0008000100000102020000204800008000820002000008200800210020018000a0220280800040c000400000140840080800100801000102000000000002020000c000100800000201000a0100200800004300000004,0400002c50b003,072802000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000008000008690192fe40dcca7d71e,0,6,57,1,0,10,62,64,-4.501,3.4010000000000002,5,0.0,0.002133669,+,1.3528,-,1.3528,https://www.genome.jp/dbget-bin/www_bget?dr:D08628
1312,D05597, Prasugrel hydrochloride (JAN/USAN), Platelet aggregation inhibitors excl. heparin,B01AC22,BLOOD AND BLOOD FORMING ORGANS,[N@@H+]1(CCc2c(C1)cc(s2)OC(=O)C)[C@H](c1ccccc1F)C(=O)C1CC1,374.449,4.0431,102.78299999999999,76.05,24,1,4,DTGLZDAWLRGWQN-LJQANCHMSA-O,C20H21FNO3S+,CC(=O)Oc1sc2c(c1)C[NH+](CC2)C(c1ccccc1F)C(=O)C1CC1,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/p+1/t19-/m1/s1",-6.2514,-6.2485,-6.0122,-4.5369,-4.38,-3.3955,1.9899,2.1551,2.2343,2.6858,2.7741,D05597_B01AC22,0126c1100060043002800600020300040500009000c05301000001c480a0200210805ca100c10010809e2858020d0200058202000060080128040002012202031c400800003401cb811020019aaa820780b001c000023008c00848808008000002100022c00204005000000022121000000611120e0990201800804588800104,1500000050f005,07004002040001000000900000000000000000000008c000000000000000000000004600c02a05,00002000080201000004f7c49a45a1e7a1c3effb1f,1,11,37,2,0,6,47,50,-12.685,-4.292,2,1.0,0.109444007,-,2.3258,-,2.3258,https://www.genome.jp/dbget-bin/www_bget?dr:D05597
1313,D01896, Cilostazol (JP17/USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC23,BLOOD AND BLOOD FORMING ORGANS,C1(CCCCC1)n1c(nnn1)CCCCOc1ccc2c(CCC(=O)N2)c1,369.461,3.6027,106.5,81.93,33,1,7,RRGUKTPIGVIEKM-UHFFFAOYSA-N,C20H27N5O2,O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",-3.7679,-3.2762,-2.8776,-1.4046,-1.2385,-1.0201,0.4923,0.5148,0.7935,0.9203,1.4954,D01896_B01AC23,000e0028000000800b400600048200008010001010000400000000c10008040010045000002000211006001800011640010286000820480a00080006008084000c200c004102035180209020a68080044090014024803808c0080810000800000803082000000006482000420010083000070100081130601802004302400004,0400000050b001,020002000000000000008000200000000000000000009800000000000000000000004600403800,000000002000082021d404ae9271b1eb5be1ed7f1f,0,11,45,1,0,7,54,57,-9.033999999999999,0.024,0,1.0,0.658847451,+,1.743,-,1.743,https://www.genome.jp/dbget-bin/www_bget?dr:D01896
1314,D09017, Ticagrelor (USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC24,BLOOD AND BLOOD FORMING ORGANS,n1(c2c(nn1)c(nc(n2)SCCC)N[C@H]1[C@@H](C1)c1cc(c(cc1)F)F)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO,522.568,2.0867,128.222,163.74,38,4,11,OEKWJQXRCDYSHL-FNOIDJSQSA-N,C23H28F2N6O4S,CCCSc1nc(NC2CC2c2ccc(c(c2)F)F)c2c(n1)n(nn2)C1CC(C(C1O)O)OCCO,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",-4.7876,-4.3247,-3.7872,-2.8064,-2.701,-1.9552,1.4825,1.6167,1.8291,2.0855,2.4975,D09017_B01AC24,c086210d001000c00a8046010802300eb15000100802049000020090022c20001500c88d445080275000341820011280412036002000c099884001068010a4040cd00e108102427000118c0324100104009901500c003009c068881100090200022910100081000414e00000600038202027190aa00110e0180b00a30b400100,0000003c30b121,07b808002001000000000000000000010000000000089800000000000000000000004600403804,00002000204228a4a1d4c7e79357a6eb7fefeffd1f,2,16,52,0,0,10,64,68,-9.008,-0.938,6,0.0,0.7305617329999999,+,3.9619,-,3.9619,https://www.genome.jp/dbget-bin/www_bget?dr:D09017
1315,D03359, Cangrelor (USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC25,BLOOD AND BLOOD FORMING ORGANS,n1(c2c(nc1)c(nc(n2)SCCC(F)(F)F)NCCSC)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O,776.3589999999999,2.9235,152.389,335.94,39,7,19,PAEBIVWUMLRPSK-IDTAVKCVSA-N,C17H25Cl2F3N5O12P3S2,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O,"InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1",-10.5216,-10.2734,-8.5937,-8.577,-8.5478,-8.3677,5.03,5.7165,5.7385,6.0022,7.1776,D03359_B01AC25,c2a20343001068c15440460008020a24f04005900846000e47011050520600501400980c445880275089051f20005880035420802000c0990a40010528002f050cca1e10a110480024058e0300100104449101400cc0200db04e800300414600001d001000cd800100c01000e4003800212e1989300558a00019c4210a100100,0000002c30b121,822909003001000000000000000000010000000000009800000000001004200000004601643804,0000001020c630a591d4b7dffbf7bc6bfe6feefd1f,3,10,58,3,0,16,69,71,4.0169999999999995,5.109,4,1.0,1.7677200000000002e-25,-,4.7845,-,4.7845,https://www.genome.jp/dbget-bin/www_bget?dr:D03359
1316,D03361, Cangrelor tetrasodium (USAN), Platelet aggregation inhibitors excl. heparin,B01AC25,BLOOD AND BLOOD FORMING ORGANS,n1(c2c(nc1)c(nc(n2)SCCC(F)(F)F)NCCSC)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O,776.3589999999999,2.9235,152.389,335.94,39,7,19,PAEBIVWUMLRPSK-IDTAVKCVSA-N,C17H25Cl2F3N5O12P3S2,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O,"InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1",-10.4892,-10.1961,-8.6078,-8.5623,-8.5069,-8.3718,5.0194,5.6387,5.7519,5.7646,7.2261,D03361_B01AC25,c2a20343001068c15440460008020a24f04005900846000e47011050520600501400980c445880275089051f20005880035420802000c0990a40010528002f050cca1e10a110480024058e0300100104449101400cc0200db04e800300414600001d001000cd800100c01000e4003800212e1989300558a00019c4210a100100,0000002c30b121,822909003001000000000000000000010000000000009800000000001004200000004601643804,0000001020c630a591d4b7dffbf7bc6bfe6feefd1f,3,10,58,3,0,16,69,71,4.1419999999999995,5.2,4,1.0,3.24027e-25,-,4.7845,-,4.7845,https://www.genome.jp/dbget-bin/www_bget?dr:D03361
1317,D09765, Vorapaxar (USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC26,BLOOD AND BLOOD FORMING ORGANS,[C@@H]12[C@@H](C[C@H]3[C@H]([C@@H]1/C=C/c1ccc(cn1)c1cc(ccc1)F)CC[C@H](C3)NC(=O)OCC)C(=O)O[C@@H]2C,492.582,6.0204,136.053,77.52,39,1,6,ZBGXUVOIWDMMJE-QHNZEKIYSA-N,C29H33FN2O4,CCOC(=O)NC1CCC2C(C1)CC1C(C2C=Cc2ccc(cn2)c2cccc(c2)F)C(OC1=O)C,"InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1",-6.0372,-5.2302,-4.4388,-3.8648,-3.5717,-2.9699,1.3638,1.5357,1.5419,2.0424,2.0765,D09765_B01AC26,00020000200002a40380060004424000418220d04062400802000882010404011800510020808031508e14182000004103200010002860060400080a000482000c101e8202040a0100108000088802040090015004002000d8a810000003000608040008800000801880000420100c0010070192004310000010408142200500,0400000030b005,17000000000000000000a000000000000040000100089000000000000000000000004640433805,000040000002002101004486967fb2e5b169d7ff1f,1,12,58,3,0,7,69,73,-9.48,-0.8640000000000001,7,-1.0,0.9700905679999999,-,2.4801,-,2.4801,https://www.genome.jp/dbget-bin/www_bget?dr:D09765
1318,D09766, Vorapaxar sulfate (JAN/USAN), Platelet aggregation inhibitors excl. heparin,B01AC26,BLOOD AND BLOOD FORMING ORGANS,[C@@H]12[C@@H](C[C@H]3[C@H]([C@@H]1/C=C/c1ccc(cn1)c1cc(ccc1)F)CC[C@H](C3)NC(=O)OCC)C(=O)O[C@@H]2C,492.582,6.0204,136.053,77.52,39,1,6,ZBGXUVOIWDMMJE-QHNZEKIYSA-N,C29H33FN2O4,CCOC(=O)NC1CCC2C(C1)CC1C(C2C=Cc2ccc(cn2)c2cccc(c2)F)C(OC1=O)C,"InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1",-6.0423,-5.285,-4.4385,-3.8454,-3.5364,-2.9699,1.3664,1.536,1.5439,2.0299,2.0539,D09766_B01AC26,00020000200002a40380060004424000418220d04062400802000882010404011800510020808031508e14182000004103200010002860060400080a000482000c101e8202040a0100108000088802040090015004002000d8a810000003000608040008800000801880000420100c0010070192004310000010408142200500,0400000030b005,17000000000000000000a000000000000040000100089000000000000000000000004640433805,000040000002002101004486967fb2e5b169d7ff1f,1,12,58,3,0,7,69,73,-9.479,-0.865,7,1.0,0.970254719,-,2.4801,-,2.4801,https://www.genome.jp/dbget-bin/www_bget?dr:D09766
1319,D09994, Selexipag (JAN/USAN/INN), Platelet aggregation inhibitors excl. heparin,B01AC27,BLOOD AND BLOOD FORMING ORGANS,c1(c(ncc(n1)N(CCCCOCC(=O)NS(=O)(=O)C)C(C)C)c1ccccc1)c1ccccc1,496.62199999999996,5.3697,138.618,109.87,40,1,8,QXWZQTURMXZVHJ-UHFFFAOYSA-N,C26H32N4O4S,O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C,"InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)",-9.2143,-8.6828,-8.5618,-6.0467,-4.9832,-4.7354,2.8111,2.9282,3.0096,3.1161,3.5454,D09994_B01AC27,e00a010000180000011846000c420000ec000010000600080000188123040412540040400028002300a60078200010000142e00800004004006000820000020a0c100c88011882a0010030000280000000c0004080202000c00800300000041000101820008000001820000c4000102130073191800110800100000002000000,0400000030b021,038000000000000000008000000000010000000000009000000020000000000000000600402800,000000802100443a9553b07daafab8abdbbb7fff1f,0,18,48,3,0,13,67,69,-8.677999999999999,-1.599,0,0.0,0.8096809979999999,-,1.7194,-,1.7194,https://www.genome.jp/dbget-bin/www_bget?dr:D09994
1320,D00181, Argatroban (USAN), Direct thrombin inhibitors,B01AE03,BLOOD AND BLOOD FORMING ORGANS,c12c(S(=O)(=O)N[C@H](C(=O)N3[C@H](C[C@@H](CC3)C)C(=O)O)CCCNC(=[NH2])N)cccc1C[C@@H](CN2)C,509.642,3.8653,141.46,188.26,47,6,10,HSBRFDADFCMARY-MXSMSXNCSA-N,C23H37N6O5S,NC(=[NH2])NCCCC(C(=O)N1CCC(CC1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C,"InChI=1S/C23H37N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,26-28H,4,6,8-13,24-25H2,1-2H3,(H,31,32)/t14-,15+,17+,18-/m1/s1",-12.7664,-12.4473,-10.7165,-10.152999999999999,-9.826,-8.9272,4.3328,4.8864,5.0093,5.2523,5.7884,D00181_B01AE03,7026012082e008a08b000622108400088c1000102000004004010081084000023800503a01000023310e0538000114c001660000082060080000000200a104100a811c00c0007a80010080001a90000600f0037004203008c2084800100aa00000200020000002004020010080810820000eb101002110010252800392400110,0400000c00b023,0700c0800000000000008800120000800040000000000000000024000000000000004640403804,000000810104549e14f59b6ebbe3fc8fc7af7fff1f,0,6,63,5,0,11,72,74,-5.956,-3.525,4,,0.042500290999999996,-,2.5283,-,2.5283,https://www.genome.jp/dbget-bin/www_bget?dr:D00181
1321,D07143, Melagatran (INN), Direct thrombin inhibitors,B01AE04,BLOOD AND BLOOD FORMING ORGANS,C1(CCCCC1)[C@H](C(=O)N1[C@H](C(=O)NCc2ccc(cc2)C(=[NH2])N)CC1)[NH2+]CC(=O)O,431.529,1.1277,122.54899999999999,155.36,40,5,7,PDGRWBTXKORGDF-PKOBYXMFSA-O,C22H33N5O4+,OC(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=[NH2])N)C1CCCCC1,"InChI=1S/C22H32N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13,23-24H2,(H,26,30)(H,28,29)/p+1/t17-,19+/m0/s1",-6.0283,-6.0262,-5.6954,-5.6861,-4.8365,-4.8316,2.4631,2.6166,2.6413,2.9459,3.5524,D07143_B01AE04,002280000040066001000600080100080000009000000040000000c0000000001800500203000002108e043800000080010200000020000200000002000000100800080001041880032000000a88008600b8034000202000c3080100000120000810002200000000000000008000000000060104000110000030800100000300,0500000c00f003,0600c00104000000000088001a0000100100000000000000000000000000000000000640c02a04,800400002004210000741a4e886070878d2f6f7f1f,0,6,56,4,0,11,64,66,-9.811,-5.4670000000000005,2,1.0,0.0018251779999999998,-,2.4258,-,2.4258,https://www.genome.jp/dbget-bin/www_bget?dr:D07143
1322,D01981, Ximelagatran (JAN/USAN/INN), Direct thrombin inhibitors,B01AE05,BLOOD AND BLOOD FORMING ORGANS,[C@H]1(CCN1C(=O)[C@H]([NH2+]CC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(=[NH2])NO,475.58099999999996,1.3169,132.5,150.6,46,5,8,YVADISUCMLNQLE-PZJWPPBQSA-O,C24H37N5O5+,CCOC(=O)C[NH2+]C(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=[NH2])NO)C1CCCCC1,"InChI=1S/C24H36N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,28,33H,2-7,12-15,25H2,1H3,(H,27,31)/p+1/t19-,21+/m0/s1",-6.0162,-5.7434,-5.7321,-4.8926,-4.8643,-4.8355,2.3478,2.5418,2.6344,2.6665,2.951,D01981_B01AE05,002280000040066001000600080300080100009000000040000000c0000400001800500203000012108e043800000080010200000020000200000002000002101800080009141880032000000a88008600b8034000202000c3080100000120000810202200000000040000008000000000060184000110401030800100000300,0500000030f005,0700c00104000000000090001a0000000100000000000000000000000000000000000640c02a04,800480002004210058741a6e287872af8d2f6fff1f,0,6,63,4,0,14,71,73,-14.592,-6.737,2,,0.00012047,-,2.59,-,2.59,https://www.genome.jp/dbget-bin/www_bget?dr:D01981
1323,D07144, Dabigatran etexilate (USAN/INN), Direct thrombin inhibitors,B01AE07,BLOOD AND BLOOD FORMING ORGANS,C(C)OC(=O)CCN(C(=O)c1cc2c(cc1)n(c(n2)CNc1ccc(cc1)/C(=[NH]\C(=O)OCCCCCC)/N)C)c1ncccc1,628.741,6.5901,179.855,165.52,53,3,11,JTUZDNQMHULNMQ-LETMKSKHSA-N,C34H42N7O5,CCCCCCOC(=O)[NH]=C(c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)N,"InChI=1S/C34H42N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37,39H,4-7,10,18,20-21,23,35H2,1-3H3/b39-32+",-7.7689,-7.4224,-5.8665,-5.3874,-5.1029,-4.919,2.2899,2.3876,2.5956,3.3286,3.6322,D07144_B01AE07,a0430000009004e6430846004c834000800004c0c0100040830000c1015410001c00600081288121b08e171c210010c00102a0001020e088054040020808a6000c011c02400502000881d8000298000800d023700c803901c31808200001000005101082000000100040300060000e20000f0598004918000098642102400000,0400000030b025,030040800000000000009000120000010041000100009800000000000000000000004640403801,000040002004000001741e9e1b7bfea7ddbb7fff1f,0,22,65,4,0,19,88,91,-11.052999999999999,-5.542000000000001,0,0.0,0.734687984,+,4.1843,-,4.1843,https://www.genome.jp/dbget-bin/www_bget?dr:D07144
1324,D07082, Dabigatran etexilate mesylate (USAN), Direct thrombin inhibitors,B01AE07,BLOOD AND BLOOD FORMING ORGANS,C(C)OC(=O)CCN(C(=O)c1cc2c(cc1)n(c(n2)CNc1ccc(cc1)/C(=[NH]\C(=O)OCCCCCC)/N)C)c1ncccc1,628.741,6.5901,179.855,165.52,53,3,11,JTUZDNQMHULNMQ-LETMKSKHSA-N,C34H42N7O5,CCCCCCOC(=O)[NH]=C(c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)N,"InChI=1S/C34H42N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37,39H,4-7,10,18,20-21,23,35H2,1-3H3/b39-32+",-7.6156,-7.2549,-5.9584,-5.2439,-5.1739,-4.8903,2.3697,2.4563,2.4617,3.3080000000000003,3.6179,D07082_B01AE07,a0430000009004e6430846004c834000800004c0c0100040830000c1015410001c00600081288121b08e171c210010c00102a0001020e088054040020808a6000c011c02400502000881d8000298000800d023700c803901c31808200001000005101082000000100040300060000e20000f0598004918000098642102400000,0400000030b025,030040800000000000009000120000010041000100009800000000000000000000004640403801,000040002004000001741e9e1b7bfea7ddbb7fff1f,0,22,65,4,0,19,88,91,-11.052,-5.5360000000000005,0,1.0,0.694073677,+,4.1843,-,4.1843,https://www.genome.jp/dbget-bin/www_bget?dr:D07082
1325,D07086, Rivaroxaban (JAN/USAN/INN), Direct factor Xa inhibitors,B01AF01,BLOOD AND BLOOD FORMING ORGANS,O1CC(=O)N(CC1)c1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)c1sc(cc1)Cl,435.881,3.0408,114.089,116.42,26,1,9,KGFYHTZWPPHNLQ-AWEZNQCLSA-N,C19H18ClN3O5S,O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl,"InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1",-5.4515,-5.2642,-4.7737,-3.8382,-3.8357,-3.7910000000000004,1.5538,1.6554,1.6628,1.8056,1.8498,D07086_B01AF01,0002cb00000000a01100068000830000850000800000841802000844000400061c00401002200032918f0c580010106008024000000820080c008082009007110801181048340200200210005298080280c8204004222c00e0090800050200000a5000028000000000800000808000200026008000131002005c40004ac00100,0400000030b001,0080000000000000000080002a000000004100010004c000000000000000000000000640402804,00004000080000218084f7ca4a76b0c7f96bef7f1f,0,11,36,3,0,6,47,50,-9.25,-0.946,1,0.0,0.41882857700000004,+,2.7213,-,2.7213,https://www.genome.jp/dbget-bin/www_bget?dr:D07086
1326,D03213, Apixaban (JAN/USAN/INN), Direct factor Xa inhibitors,B01AF02,BLOOD AND BLOOD FORMING ORGANS,C1CC(=O)N(CC1)c1ccc(cc1)N1CCc2c(C1=O)n(nc2C(=O)N)c1ccc(cc1)OC,459.49699999999996,3.5299,132.702,110.76,33,1,9,QNZCBYKSOIHPEH-UHFFFAOYSA-N,C25H25N5O4,COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N,"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)",-6.0331,-4.7860000000000005,-4.7573,-4.417,-4.2413,-4.2010000000000005,1.712,1.8499,1.8563,2.3796,2.892,D03213_B01AF02,a007108320800ec40900461184830004800800900000260841000040104020001d0010930168812060a62518010092c001022200000948882000c082000204000c200c08410c0201000230209288000400f0115024003901c00c1940840900000c3400000020841202e0008020100821100e0011880118200812a0430e400100,0400000050b001,020002000000000000008000260000000001000000009800000000000000000000004640403801,000000000000082001c41cfc1b61b1ebd9ebeffb1f,0,17,43,3,0,5,59,63,-8.863,-0.496,0,,0.6399306060000001,+,3.0579,-,3.0579,https://www.genome.jp/dbget-bin/www_bget?dr:D03213
1327,D01844, Fondaparinux sodium (JAN/USAN/INN), Other antithrombotic agents,B01AX05,BLOOD AND BLOOD FORMING ORGANS,[C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1COS(=O)(=O)O)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1[C@H](OS(=O)(=O)O)[C@H]([C@H](O[C@@H]1COS(=O)(=O)O)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@H]1C(=O)O)O[C@H]1[C@H](O)[C@H]([C@H](O[C@@H]1COS(=O)(=O)O)OC)NS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)NS(=O)(=O)O)O)O,1508.26,-3.931,260.04200000000003,872.52,95,19,52,KANJSNBRCNMZMV-ABRZTLGGSA-N,C31H53N3O49S8,COC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)OS(=O)(=O)O)OC1OC(C(=O)O)C(C(C1O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)O,"InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1",-13.161,-12.8013,-12.6266,-11.6498,-10.9697,-10.9222,6.5465,7.2078,8.9672,9.771,9.8972,D01844_B01AX05,600001000800e0840000040000820278200400a4020a004001000000270400175400005aa0000007000a00302000100005c0000800a0c01100a000800408a00008902b2802144001034088032880001400d0014000200000a000100100202000400c0008002800a00000200040003c800005e181000000000000020540000500,0400002c30a003,002800008001804000008800000000000000000000000000002801000000000000000437402804,00000000c184701b940180772392906c9e6febff1d,0,0,130,18,0,30,144,148,9.98,15.96,25,,0.0,-,36.5817,-,36.5817,https://www.genome.jp/dbget-bin/www_bget?dr:D01844
1328,D00160, Aminocaproic acid (USP/INN), Amino acids,B02AA01,BLOOD AND BLOOD FORMING ORGANS,C(CC(=O)O)CCC[NH3+],132.181,-0.1267,36.6929,64.94,15,2,2,SLXKOJJOQWFEFD-UHFFFAOYSA-O,C6H14NO2+,[NH3+]CCCCCC(=O)O,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)/p+1",-5.3859,-5.3776,-5.3286,-4.5654,-4.4189,-4.2009,1.7718,1.775,1.8069,2.3855,2.3884,D00160_B02AA01,00000000000000000000040000000000000000000000000000000000000000001000000000000001100a0010000000000100000000204000000000000000000008000800000000000000800008800004001001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000100,0500000c00e002,0200c0000400000000008800000000000000000000000000000000000000000000000000c02a00,000000000000010000000206884020840d04447709,0,0,21,1,0,5,23,22,-6.307,-2.376,0,0.0,,-,0.5158,-,0.5158,https://www.genome.jp/dbget-bin/www_bget?dr:D00160
1329,D01136, Tranexamic acid (JP17/USAN/INN), Amino acids,B02AA02,BLOOD AND BLOOD FORMING ORGANS,C1C[C@H](CC[C@@H]1C(=O)O)C[NH3+],158.218,0.1193,44.1929,64.94,17,2,2,GYDJEQRTZSCIOI-LJGSYFOKSA-O,C8H16NO2+,[NH3+]CC1CCC(CC1)C(=O)O,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/p+1/t6-,7-",-5.3764,-5.3728,-5.3702,-4.5739,-4.4374,-4.1604,1.5607,1.7586,1.7617,1.7645,2.3746,D01136_B02AA02,00000000000002000000040000000000000000000000000000000000000000001000000000000001100a0010000000000100000000204002000000000000000008000800000000000000800008800004001001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000100,0500000c00e003,0600c0000400000000008800000000000000000000000000000000000000000000000000c02a04,00000000000001000000020608002084050444771d,0,0,26,1,0,2,27,27,-6.67,-2.052,0,0.0,5.1709399999999995e-09,-,0.491,-,0.491,https://www.genome.jp/dbget-bin/www_bget?dr:D01136
1330,D07568, Aminomethylbenzoic acid, Amino acids,B02AA03,BLOOD AND BLOOD FORMING ORGANS,c1c(ccc(c1)C[NH3+])C(=O)O,152.17,0.1267,42.3324,64.94,11,2,2,QCTBMLYLENLHLA-UHFFFAOYSA-O,C8H10NO2+,[NH3+]Cc1ccc(cc1)C(=O)O,"InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)/p+1",-5.3837,-5.3798,-5.3789,-5.3712,-4.4077,-4.2676,1.7647,2.0064,2.0135,2.0156,2.3044,D07568_B02AA03,00000000000004c00000060000000000000000000000000000000080000000000400400000000000208a0208000000000000000000000000000000020000000008000800000000000000000000880080008000400000000040080000000100000010000000000000004000000000000000060540000100000008000000000000,0500000c00f003,0000c0000400000000008800000000000001000000000000000000000000000000000240c02a00,00000000000001000000020008000004040440771f,0,6,14,1,0,2,21,21,-7.255,-1.776,0,-1.0,2.0831999999999996e-09,-,0.1751,-,0.1751,https://www.genome.jp/dbget-bin/www_bget?dr:D07568
1331,D07606, Camostat (INN), Proteinase inhibitors,B02AB04,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(cc1)NC(=[NH2])N)C(=O)Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C,399.42,2.4723,107.791,136.98,32,3,8,DOHQYERQKCEHMF-UHFFFAOYSA-N,C20H23N4O5,CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)NC(=[NH2])N)C,"InChI=1S/C20H23N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10,23H,11-12,21-22H2,1-2H3",-9.9577,-9.9525,-6.5374,-6.2045,-6.1922,-6.1909,3.0179,3.0242,3.0486,3.8282,3.8775,D07606_B02AB04,00460016002000c00300060010820000800000000000124000200080000410101410c00000000033200e020820000340000002000000000c00000082000006080800080a49100541008001000280800100d00040040020084208080000010000412000000000040200400000c0100000000e0980080300201808000002000004,0400000070b005,0200c0000000000000009000120000000041000000000000000000000000000000000240402801,00000001000400008032385800725966dd68dbff1f,0,12,37,4,0,11,52,53,-10.777999999999999,-5.626,0,2.0,0.006237986,+,1.5356,-,1.5356,https://www.genome.jp/dbget-bin/www_bget?dr:D07606
1332,D01766, Camostat mesilate (JP17), Proteinase inhibitors,B02AB04,BLOOD AND BLOOD FORMING ORGANS,c1(ccc(cc1)NC(=[NH2])N)C(=O)Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C,399.42,2.4723,107.791,136.98,32,3,8,DOHQYERQKCEHMF-UHFFFAOYSA-N,C20H23N4O5,CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)NC(=[NH2])N)C,"InChI=1S/C20H23N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10,23H,11-12,21-22H2,1-2H3",-9.9607,-9.9322,-6.5367,-6.2068,-6.2064,-6.1917,3.0101,3.0207,3.04,3.8163,3.878,D01766_B02AB04,00460016002000c00300060010820000800000000000124000200080000410101410c00000000033200e020820000340000002000000000c00000082000006080800080a49100541008001000280800100d00040040020084208080000010000412000000000040200400000c0100000000e0980080300201808000002000004,0400000070b005,0200c0000000000000009000120000000041000000000000000000000000000000000240402801,00000001000400008032385800725966dd68dbff1f,0,12,37,4,0,11,52,53,-10.779000000000002,-5.626,0,,0.006178966,+,1.5356,-,1.5356,https://www.genome.jp/dbget-bin/www_bget?dr:D01766
1333,D00148, Phytonadione (JP17/USP), Vitamin K,B02BA01,BLOOD AND BLOOD FORMING ORGANS,c12c(C(=O)C(=C(C1=O)C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)C)cccc2,450.69599999999997,9.1576,144.716,34.14,48,0,2,MBWXNTAXLNYFJB-NKFFZRIASA-N,C31H46O2,CC(CCCC(CCCC(C)C)C)CCCC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)C,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",-3.1279,-3.0607,-0.9463,-0.9414,-0.785,-0.7588,0.5891,0.7269,0.8509,0.8541,0.8797,D00148_B02BA01,00040000000002a40200028000000000000000800040400001200084000020001408400000c00000c0020208010140000108020200203100000010020400000000000000200400000000200000800204009000400000100840089800000800810304000001000020028080000000000000020900020100000008000102000000,14000000003001,170000000000010000000000000000000001000000000000000000000000000000004240407004,0000000000000200000a000014092cc081d0b5c61e,0,6,70,4,0,14,79,80,-9.647,-1.43,2,2.0,0.9955882429999999,+,2.5407,-,2.5407,https://www.genome.jp/dbget-bin/www_bget?dr:D00148
1334,D02335, Menadione (USP), Vitamin K,B02BA02,BLOOD AND BLOOD FORMING ORGANS,c12c(C(=O)C=C(C1=O)C)cccc2,172.18,2.0119,49.05,34.14,10,0,2,MJVAVZPDRWSRRC-UHFFFAOYSA-N,C11H8O2,O=C1C=C(C)C(=O)c2c1cccc2,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",-3.148,-3.1443,-0.9364,-0.9359999999999999,-0.6214,-0.5623,0.43700000000000006,0.4393,0.4668,0.4749,0.8762,D02335_B02BA02,00040000000000840200020000000000000000000000400001000084000000001400400000c00000c0020208000140000108000000003100000010020400000000000000000000000000200000800000009000400000100840089800000800810304000001000020028080000000000000020100000100000008000000000000,14000000003001,110000000000010000000000000000000001000000000000000000000000000000004240405800,0000000000000200000800001401004080c0a1c21e,0,6,13,3,0,0,21,22,-10.674000000000001,-1.521,0,,0.06869027,+,0.4776,-,0.4776,https://www.genome.jp/dbget-bin/www_bget?dr:D02335
1335,D08177, Menadione sodium bisulfite (INN), Vitamin K,B02BA02,BLOOD AND BLOOD FORMING ORGANS,c12c(C(=O)C[C@@](C1=O)(C)S(=O)(=O)O)cccc2,254.25900000000001,2.1830000000000003,60.0978,96.89,14,1,5,WIXFIQKTHUVFDI-LLVKDONJSA-N,C11H10O5S,O=C1CC(C)(C(=O)c2c1cccc2)S(=O)(=O)O,"InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1",-8.9276,-8.9225,-8.3922,-3.8948,-2.8306,-2.8254,2.1181,2.4136,2.5844,2.6021,3.0917,D08177_B02BA02,200449810000008012480200020000004000000000000002090000800048000414004402004100004102020800014020010040000060100008800002000200000000000020000080020024000080080440900040002010084008090100080100010200000000000002800000400004000002510002010000000c000500000100,1400000000b001,030000000000010000000000000000000001000000000000000022000000000000004240402805,00000000c080449a16018103308304488accabc21e,0,6,18,4,0,1,27,28,-6.882000000000001,2.182,1,0.0,1.44751e-05,+,0.5429999999999999,-,0.5429999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D08177
1336,D01282, Ethamsylate (USAN), Other systemic hemostatics,B02BX01,BLOOD AND BLOOD FORMING ORGANS,c1c(ccc(c1S(=O)(=O)O)O)O,190.174,1.4253,40.3468,103.21,10,3,5,IKQCSJBQLWJEPU-UHFFFAOYSA-N,C6H6O5S,Oc1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)",-9.6575,-9.6494,-9.0923,-3.8077,-2.2302,-2.0338,1.9666,2.4059,2.434,2.5885,2.5905,D01282_B02BX01,200001000000000200000200000000000000004000000800000000000080000008000008200000000000000800000080002002000000000000000000000200000800000000022080020000000200000000800020002000004008080000200000000200000000000200000400000400000002d000000000200800800000000000,0000000402b001,000000000000000000000000000000000000000000010000000022000000000000000240403800,00000000c080549e140181012082014886ccaa501e,0,6,10,2,0,1,18,18,-5.746,3.4789999999999996,0,,2.73296e-08,+,0.2762,-,0.2762,https://www.genome.jp/dbget-bin/www_bget?dr:D01282
1337,D01864, Carbazochrome (JAN/INN), Other systemic hemostatics,B02BX02,BLOOD AND BLOOD FORMING ORGANS,C1(=O)/C(=N\NC(=O)N)/C=C2C(=C1)N(C[C@H]2O)C,236.227,-0.2609,62.9639,108.02,19,3,7,XSXCZNVKFKNLPR-DKBJHAQFSA-N,C10H12N4O3,NC(=O)NN=C1C=C2C(O)CN(C2=CC1=O)C,"InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-/t9-/m1/s1",-5.8565,-4.6264,-4.2302,-4.2193,-3.7218,-3.0657,1.85,1.9804,2.2154,2.272,2.6281,D01864_B02BX02,400200404008000402040c01f000100400050490000048400004010000102004100000008080804380060010080208020328000090048b004099000d0040013048012800042000001800012002810200041240c110822100830010004044011302440119e10218001100100084200140000c200000089003208004081800c007,1400002c00a041,102840028000010000080000000000004043001000000000000000000000000000004440407804,0000000210140a00107c3cf09d23544b9c65eafb1d,0,0,25,5,0,2,29,30,-8.794,-1.5419999999999998,1,,0.006757712,-,1.0523,-,1.0523,https://www.genome.jp/dbget-bin/www_bget?dr:D01864
1338,D01525, Carbazochrome sodium sulfonate hydrate, Other systemic hemostatics,B02BX02,BLOOD AND BLOOD FORMING ORGANS,C1(=O)/C(=N\NC(=O)N)/C=C2C(=C1)N([C@H](C2)S(=O)(=O)O)C,300.291,1.063,72.3379,150.54,20,3,9,OZCACMPSTYQSMM-TXEUWIOXSA-N,C10H12N4O5S,NC(=O)NN=C1C=C2CC(N(C2=CC1=O)C)S(=O)(=O)O,"InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19)/b12-6-/t9-/m0/s1",-8.9311,-8.9278,-8.3836,-5.8539,-5.7848,-4.6275,2.5257,2.5867,2.6234,2.9027,4.643,D01525_B02BX02,200201614008200402540c01f000100400050490000248420800010000002004100004040081004081060010080008020328100088140b00c09b000d004001a040012000002800801a200d2202a10220c412444110a021008b0010024044013302468111e90018111103100004200140088c7000c040b8016080040c1800c007,1400000000a041,120000000000010000080000000000004043001000000000000022000000000000004440407804,00000002d0d44e9a147d9df235eb584b966deaea1d,0,0,26,7,0,3,32,33,-5.852,0.907,1,,4.8102999999999995e-06,+,1.2148,-,1.2148,https://www.genome.jp/dbget-bin/www_bget?dr:D01525
1339,D03978, Eltrombopag olamine (JAN/USAN), Other systemic hemostatics,B02BX05,BLOOD AND BLOOD FORMING ORGANS,N1=C(/C(=N\Nc2c(c(ccc2)c2cccc(c2)C(=O)O)O)/C(=O)N1c1cc(c(cc1)C)C)C,442.467,4.1384,135.157,114.59,29,3,8,XDXWLKQMMKQXPV-HPNDGRJYSA-N,C25H22N4O4,OC(=O)c1cccc(c1)c1cccc(c1O)NN=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C,"InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22+",-4.3958,-4.2891,-4.257,-2.5861,-2.465,-2.2016,1.4855,1.6961,2.286,2.3795,2.3975,D03978_B02BX05,00020000020220c003000e0000c04110c100005000020050020048880000040014406000002800f0210e021c000018c0030a22400004000c001000024000060008600828400282000080300002804005009000400c002b00d108002080810002024000210118001240640004050000240016032080013a60080800000660b201,0402000c02b003,010000000000000000008800000000000001000000010000200000000000000000000640403801,000000000000282010e404e80120d14fd6fdfbfa1f,0,18,36,4,0,5,55,58,-4.821000000000001,0.321,0,,0.016976021,+,2.0472,-,2.0472,https://www.genome.jp/dbget-bin/www_bget?dr:D03978
1340,D08016, Ferrous sulfate glycine," Iron bivalent, oral preparations",B03AA01,BLOOD AND BLOOD FORMING ORGANS,OS(=O)(=O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8416,-10.8206,-10.2302,-10.228,-1.8608,-1.8533,2.6065,2.6147,2.6169,2.7042,5.6599,D08016_B03AA01,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235,0,-1.0,2.3512e-32,+,0.9133,-,0.9133,https://www.genome.jp/dbget-bin/www_bget?dr:D08016
1341,D01194, Ferrous fumarate (JAN/USP)," Iron bivalent, oral preparations",B03AA02,BLOOD AND BLOOD FORMING ORGANS,C(=O)(/C=C/C(=O)O)O,116.072,-0.2882,24.4116,74.6,6,2,4,VZCYOOQTPOCHFL-OWOJBTEDSA-N,C4H4O4,OC(=O)C=CC(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",-4.909,-4.9081,-4.7569,-4.7519,-1.3935,-1.3893,1.0958,1.9029,2.3586,2.3598,2.5696,D01194_B03AA02,00000000000000040000000000000000000000000000400000100000001000000000000000000000000a0000000000000000000010002100000000000000000008000800000000000000000000800000000000400000000000000000000000010004000000000000000000000000000000000000000000000000000000000000,0400000c00a002,100000000000000000008800000000000000000000000000000000000000000000000040436800,00000000000000000000000004000004840c025208,0,0,8,3,0,2,12,11,-0.877,8.958,0,,7.960750000000001e-23,-,0.5991,-,0.5991,https://www.genome.jp/dbget-bin/www_bget?dr:D01194
1342,D01194, Ferrous fumarate (JAN/USP), Iron in combination with folic acid,B03AD02,BLOOD AND BLOOD FORMING ORGANS,C(=O)(/C=C/C(=O)O)O,116.072,-0.2882,24.4116,74.6,6,2,4,VZCYOOQTPOCHFL-OWOJBTEDSA-N,C4H4O4,OC(=O)C=CC(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",-4.9089,-4.9077,-4.7526,-4.7506,-1.3882,-1.3874,1.0877,1.9008,2.36,2.3602,2.568,D01194_B03AD02,00000000000000040000000000000000000000000000400000100000001000000000000000000000000a0000000000000000000010002100000000000000000008000800000000000000000000800000000000400000000000000000000000010004000000000000000000000000000000000000000000000000000000000000,0400000c00a002,100000000000000000008800000000000000000000000000000000000000000000000040436800,00000000000000000000000004000004840c025208,0,0,8,3,0,2,12,11,-0.877,8.958,0,,7.960750000000001e-23,-,0.5991,-,0.5991,https://www.genome.jp/dbget-bin/www_bget?dr:D01194
1343,D02394, Ferrous gluconate (USP)," Iron bivalent, oral preparations",B03AA03,BLOOD AND BLOOD FORMING ORGANS,OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.4919,-4.4411,-2.6501,-2.3575,-2.3214,-2.2157,2.3394,2.3413,2.3579,2.4383,2.4444,D02394_B03AA03,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.737,5.345,4,0.0,,+,0.6581,-,0.6581,https://www.genome.jp/dbget-bin/www_bget?dr:D02394
1344,D08015, Ferrous succinate," Iron bivalent, oral preparations",B03AA06,BLOOD AND BLOOD FORMING ORGANS,C(CC(=O)O)C(=O)O,118.088,-0.0642,24.8856,74.6,8,2,4,KDYFGRWQOYBRFD-UHFFFAOYSA-N,C4H6O4,OC(=O)CCC(=O)O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",-4.5861,-4.5825,-4.4186,-4.4033,-2.4798,-2.0392,2.0226,2.1121,2.3622,2.3727,2.3944,D08015_B03AA06,00000000000000000000000002000000000000000000000000000000000000001000000000000001000a0000000000000100000000004000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000400,0400000c00a002,020000000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000000002800020048c0c065608,0,0,11,2,0,3,14,13,-0.275,11.41,0,0.0,,-,0.6911,-,0.6911,https://www.genome.jp/dbget-bin/www_bget?dr:D08015
1345,D01725, Ferrous sulfate (USP)," Iron bivalent, oral preparations",B03AA07,BLOOD AND BLOOD FORMING ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8264,-10.8258,-10.2277,-10.2269,-1.7394,-1.7393,2.6003,2.6003,2.6004,2.6767,5.6505,D01725_B03AA07,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.237,0,0.0,2.35278e-32,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D01725
1346,D01725, Ferrous sulfate (USP), Iron in combination with folic acid,B03AD03,BLOOD AND BLOOD FORMING ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8268,-10.8257,-10.2272,-10.2271,-1.7394,-1.7393,2.6003,2.6003,2.6003,2.6767,5.6504,D01725_B03AD03,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.237,0,0.0,2.35278e-32,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D01725
1347,D04172," Ferrous sulfate, dried (USP)"," Iron bivalent, oral preparations",B03AA07,BLOOD AND BLOOD FORMING ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8262,-10.8261,-10.2275,-10.2271,-1.7394,-1.7393,2.6003,2.6003,2.6004,2.6767,5.6504,D04172_B03AA07,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235,0,1.0,2.34984e-32,+,0.9387,-,0.9387,https://www.genome.jp/dbget-bin/www_bget?dr:D04172
1348,D04172," Ferrous sulfate, dried (USP)", Iron in combination with folic acid,B03AD03,BLOOD AND BLOOD FORMING ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8263,-10.8254,-10.2275,-10.2271,-1.7393,-1.7393,2.6002,2.6003,2.6004,2.6767,5.6506,D04172_B03AD03,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235,0,1.0,2.34984e-32,+,0.9387,-,0.9387,https://www.genome.jp/dbget-bin/www_bget?dr:D04172
1349,D07145, Sodium feredetate (INN)," Iron trivalent, oral preparations",B03AB03,BLOOD AND BLOOD FORMING ORGANS,C(C(=O)O)[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0178,-5.9949,-5.0147,-4.9716,-4.9297,-4.9172,3.0141,3.2873,3.5069999999999997,3.5082,3.523,D07145_B03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.141,4.4510000000000005,0,-2.0,,-,1.6914,-,1.6914,https://www.genome.jp/dbget-bin/www_bget?dr:D07145
1350,D00070, Folic acid (JP17/USP/INN), Folic acid and derivatives,B03BB01,BLOOD AND BLOOD FORMING ORGANS,c12c(nc(cn1)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(=O)[nH]c([nH]2)N,442.405,1.2145,112.881,216.18,29,7,11,IKSKPISZQHOGHI-LBPRGKRZSA-N,C19H20N7O6,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)[nH]c([nH]2)N,"InChI=1S/C19H20N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21,25H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,26,30)/t12-/m0/s1",-8.9015,-7.8544,-7.6589,-6.7724,-5.7745,-5.7031,3.7803,3.8982,4.3252,4.3859,4.4003,D00070_B03BB01,002a8000014014a011000600008100088000009000000000000000c0003001001e00400223000023008e07380001106001020000100040080000000210000410080008004004020001a0000222b8000f00b0004006002002e00b02000000000000300022040000000000000080001820000e018420011000005c00030ac00300,0400000c00b023,0200408100000042000088002a0000000001000000000000000000000000000000004640402804,000000012004300000d00a4e9b63b045dc6f477f1f,0,6,51,4,0,10,59,61,-3.531,-2.622,1,,2.9465900000000002e-08,-,2.9801,-,2.9801,https://www.genome.jp/dbget-bin/www_bget?dr:D00070
1351,D07985, Folate sodium, Folic acid and derivatives,B03BB01,BLOOD AND BLOOD FORMING ORGANS,c12c(nc(cn1)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(=O)[nH]c([nH]2)N,442.405,1.2145,112.881,216.18,29,7,11,IKSKPISZQHOGHI-LBPRGKRZSA-N,C19H20N7O6,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)[nH]c([nH]2)N,"InChI=1S/C19H20N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21,25H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,26,30)/t12-/m0/s1",-8.8915,-7.8438,-7.6283,-6.7661,-5.7768,-5.7028,3.7637,3.8905,4.2965,4.3663,4.3965,D07985_B03BB01,002a8000014014a011000600008100088000009000000000000000c0003001001e00400223000023008e07380001106001020000100040080000000210000410080008004004020001a0000222b8000f00b0004006002002e00b02000000000000300022040000000000000080001820000e018420011000005c00030ac00300,0400000c00b023,0200408100000042000088002a0000000001000000000000000000000000000000004640402804,000000012004300000d00a4e9b63b045dc6f477f1f,0,6,51,4,0,10,59,61,-3.531,-2.6210000000000004,1,2.0,3.48674e-08,-,2.9412,-,2.9412,https://www.genome.jp/dbget-bin/www_bget?dr:D07985
1352,D00396, Tromethamine (USP), Solutions affecting the electrolyte balance,B05BB03,BLOOD AND BLOOD FORMING ORGANS,C(CO)(CO)(CO)[NH3+],122.14299999999999,-3.056,28.8305,88.33,15,4,3,LENZDBCJOHFCAS-UHFFFAOYSA-O,C4H12NO3+,OCC(CO)(CO)[NH3+],"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1",-5.3913,-5.3774,-5.3454,-4.0721,-2.042,-2.0411,1.7302,1.735,1.7352,3.0217,3.0534,D00396_B05BB03,0000000000000000000004000000000000000000000000000000000000000000100000000000000300000000000000000000000000000001000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000040000000000000000000000000000,0100001c00e000,0018c0000400000000000000000000000000000000000000000000000000000000000000c02200,00000000000031000200024380d000000406427d09,0,0,19,0,0,3,20,19,-15.446,-4.553,0,0.0,,+,0.452,-,0.452,https://www.genome.jp/dbget-bin/www_bget?dr:D00396
1353,D00396, Tromethamine (USP), Other i.v. solution additives,B05XX02,BLOOD AND BLOOD FORMING ORGANS,C(CO)(CO)(CO)[NH3+],122.14299999999999,-3.056,28.8305,88.33,15,4,3,LENZDBCJOHFCAS-UHFFFAOYSA-O,C4H12NO3+,OCC(CO)(CO)[NH3+],"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1",-5.3888,-5.3726,-5.3458,-4.0709,-2.0429,-2.0422,1.7287,1.7299,1.7354,3.0382,3.0612,D00396_B05XX02,0000000000000000000004000000000000000000000000000000000000000000100000000000000300000000000000000000000000000001000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000040000000000000000000000000000,0100001c00e000,0018c0000400000000000000000000000000000000000000000000000000000000000000c02200,00000000000031000200024380d000000406427d09,0,0,19,0,0,3,20,19,-15.446,-4.553,0,0.0,,+,0.452,-,0.452,https://www.genome.jp/dbget-bin/www_bget?dr:D00396
1354,D00023, Urea (JP17/USP), Solutions producing osmotic diuresis,B05BC02,BLOOD AND BLOOD FORMING ORGANS,C(=O)(N)N,60.0553,0.4244,12.9248,69.11,7,2,3,XSQUKJJJFZCRTK-UHFFFAOYSA-N,CH4N2O,NC(=O)N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",-5.905,-5.9047,-4.641,-4.2372,-4.2371,-4.2183,1.7709,1.8189,1.8191,2.9106,2.9106,D00023_B05BC02,0000000000000000000004000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000,0000000000a040,000000000000000000000000000000000040040000000000000000000000000000000000400800,000000001004000000100800002210000420402a09,0,0,6,1,0,0,8,7,-10.434000000000001,2.012,0,0.0,0.000797759,+,0.8907,-,0.8907,https://www.genome.jp/dbget-bin/www_bget?dr:D00023
1355,D00023, Urea (JP17/USP), Carbamide products,D02AE01,DERMATOLOGICALS,C(=O)(N)N,60.0553,0.4244,12.9248,69.11,7,2,3,XSQUKJJJFZCRTK-UHFFFAOYSA-N,CH4N2O,NC(=O)N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",-5.905,-5.905,-4.6411,-4.2371,-4.237,-4.2181,1.7709,1.819,1.819,2.9107,2.9107,D00023_D02AE01,0000000000000000000004000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000,0000000000a040,000000000000000000000000000000000040040000000000000000000000000000000000400800,000000001004000000100800002210000420402a09,0,0,6,1,0,0,8,7,-10.434000000000001,2.012,0,0.0,0.000797759,+,0.8907,-,0.8907,https://www.genome.jp/dbget-bin/www_bget?dr:D00023
1356,D03383, Carbamide peroxide (USP), Solutions producing osmotic diuresis,B05BC02,BLOOD AND BLOOD FORMING ORGANS,C(=O)(N)N,60.0553,0.4244,12.9248,69.11,7,2,3,XSQUKJJJFZCRTK-UHFFFAOYSA-N,CH4N2O,NC(=O)N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",-5.905,-5.9049,-4.6414,-4.2369,-4.2369,-4.2184,1.7709,1.819,1.819,2.9107,2.9108,D03383_B05BC02,0000000000000000000004000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000,0000000000a040,000000000000000000000000000000000040040000000000000000000000000000000000400800,000000001004000000100800002210000420402a09,0,0,6,1,0,0,8,7,-10.434000000000001,2.012,0,-2.0,0.000797394,+,0.8907,-,0.8907,https://www.genome.jp/dbget-bin/www_bget?dr:D03383
1357,D03383, Carbamide peroxide (USP), Carbamide products,D02AE01,DERMATOLOGICALS,C(=O)(N)N,60.0553,0.4244,12.9248,69.11,7,2,3,XSQUKJJJFZCRTK-UHFFFAOYSA-N,CH4N2O,NC(=O)N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",-5.9051,-5.905,-4.6414,-4.2371,-4.2369,-4.218,1.7709,1.819,1.819,2.9107,2.9108,D03383_D02AE01,0000000000000000000004000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000,0000000000a040,000000000000000000000000000000000040040000000000000000000000000000000000400800,000000001004000000100800002210000420402a09,0,0,6,1,0,0,8,7,-10.434000000000001,2.012,0,-2.0,0.000797394,+,0.8907,-,0.8907,https://www.genome.jp/dbget-bin/www_bget?dr:D03383
1358,D07666, Cetylpyridinium (DCF), Antiinfectives,B05CA01,BLOOD AND BLOOD FORMING ORGANS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1458,-2.1346,-2.131,0.0,0.0,0.0,0.0,0.0,0.0,0.4219,0.4316,D07666_B05CA01,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.074000000000002,-5.582000000000001,0,1.0,0.36904582399999997,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D07666
1359,D07666, Cetylpyridinium (DCF), Quaternary ammonium compounds,D08AJ03,DERMATOLOGICALS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.141,-2.1362,-2.1327,0.0,0.0,0.0,0.0,0.0,0.0,0.4245,0.4293,D07666_D08AJ03,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.074000000000002,-5.582000000000001,0,1.0,0.36904582399999997,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D07666
1360,D07666, Cetylpyridinium (DCF), Medicated dressings with antiinfectives,D09AA07,DERMATOLOGICALS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1788,-2.168,-2.1263,0.0,0.0,0.0,0.0,0.0,0.0,0.4131,0.433,D07666_D09AA07,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.074000000000002,-5.582000000000001,0,1.0,0.36904582399999997,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D07666
1361,D07666, Cetylpyridinium (DCF), Antiseptics,R02AA06,RESPIRATORY SYSTEM,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1505,-2.1368,-2.1304,0.0,0.0,0.0,0.0,0.0,0.0,0.4242,0.4265,D07666_R02AA06,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.074000000000002,-5.582000000000001,0,1.0,0.36904582399999997,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D07666
1362,D01062, Cetylpyridinium chloride (USP), Antiinfectives,B05CA01,BLOOD AND BLOOD FORMING ORGANS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1493,-2.1417,-2.1382,0.0,0.0,0.0,0.0,0.0,0.0,0.428,0.4332,D01062_B05CA01,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.079,-5.582000000000001,0,,0.36904916200000004,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D01062
1363,D01062, Cetylpyridinium chloride (USP), Quaternary ammonium compounds,D08AJ03,DERMATOLOGICALS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.168,-2.1678,-2.1581,0.0,0.0,0.0,0.0,0.0,0.0,0.4174,0.4214,D01062_D08AJ03,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.079,-5.582000000000001,0,,0.36904916200000004,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D01062
1364,D01062, Cetylpyridinium chloride (USP), Medicated dressings with antiinfectives,D09AA07,DERMATOLOGICALS,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1378,-2.1346,-2.1287,0.0,0.0,0.0,0.0,0.0,0.0,0.4273,0.4342,D01062_D09AA07,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.079,-5.582000000000001,0,,0.36904916200000004,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D01062
1365,D01062, Cetylpyridinium chloride (USP), Antiseptics,R02AA06,RESPIRATORY SYSTEM,C(CCCCCCCCCCCCCCn1ccccc1)C,304.533,7.2505,102.206,4.93,38,0,0,MLAIZWCPEMTXQZ-UHFFFAOYSA-N,C21H38N,CCCCCCCCCCCCCCCCn1ccccc1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3",-2.1594,-2.1494,-2.1309,0.0,0.0,0.0,0.0,0.0,0.0,0.4119,0.4218,D01062_R02AA06,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0000000000a001,030040020000000000000000000000000000000000000000000000000000000000000400402000,0000000000000000000430000a482e8301030ca515,0,0,65,0,0,15,65,65,-12.079,-5.582000000000001,0,,0.36904916200000004,+,2.8497,-,2.8497,https://www.genome.jp/dbget-bin/www_bget?dr:D01062
1366,D00862, Nitrofurazone (USP), Antiinfectives,B05CA03,BLOOD AND BLOOD FORMING ORGANS,c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.865,-5.6725,-4.6337,-4.6004,-4.2282,-4.2199,1.8467,1.9791,2.0415,2.2069,2.5459,D00862_B05CA03,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1367,D00862, Nitrofurazone (USP), Nitrofuran derivatives,D08AF01,DERMATOLOGICALS,c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.8604,-5.6729,-4.6336,-4.6009,-4.2285,-4.2181,1.8494,1.982,2.0412,2.2256,2.5465,D00862_D08AF01,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1368,D00862, Nitrofurazone (USP), Medicated dressings with antiinfectives,D09AA03,DERMATOLOGICALS,c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.8662,-5.672999999999999,-4.6262,-4.5998,-4.2275,-4.2183,1.8473,1.9806,2.0416,2.2121,2.5455,D00862_D09AA03,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1369,D00862, Nitrofurazone (USP), Nitrofuran derivatives,P01CC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.8643,-5.6729,-4.635,-4.6004,-4.229,-4.2186,1.8493,1.9791,2.0413,2.2154,2.5459,D00862_P01CC02,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1370,D00862, Nitrofurazone (USP), Other antiinfectives,S01AX04,SENSORY ORGANS,c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.8557,-5.6737,-4.6402,-4.6001,-4.2284,-4.218,1.8476,1.9826,2.0407,2.2272,2.546,D00862_S01AX04,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1371,D00862, Nitrofurazone (USP), Antiinfectives,S02AA02,SENSORY ORGANS,c1(/C=N/NC(=O)N)oc(cc1)[N](=O)O,199.144,1.6958,45.5056,130.28,13,3,5,FBEFNDDZTPRXAZ-FPYGCLRLSA-N,C6H7N4O4,NC(=O)NN=Cc1ccc(o1)[N](=O)O,"InChI=1S/C6H7N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H,12,13)(H3,7,9,11)/b8-3+",-5.8698,-5.6723,-4.6285,-4.6003,-4.2261,-4.2202,1.8447,1.9782,2.0416,2.1952,2.5456,D00862_S02AA02,00000004000821000a000e00080000011000000810200044000800400000000000004800000044600004020800000a0100080010001402000000008201500000120008422000002000010000008401c00010804064000004210000000043001508402801010000004010000000200010004a000000010a00300a22000a008800,0100000000f041,00000000000000000000000000000000004000100000a000000000000000000000000640c32a00,0000800010048941f0700ce82122500ad62dca6a1b,0,5,13,3,0,4,21,21,-10.383,-2.219,0,1.0,0.025714615,+,0.6151,-,0.6151,https://www.genome.jp/dbget-bin/www_bget?dr:D00862
1372,D00870, Sulfamethizole (JP17/USP/INN), Antiinfectives,B05CA04,BLOOD AND BLOOD FORMING ORGANS,c1(S(=O)(=O)Nc2sc(nn2)C)ccc(cc1)N,270.33099999999996,2.9645,66.3931,134.59,16,2,7,VACCAVUAMIDAGB-UHFFFAOYSA-N,C9H10N4O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",-9.3712,-9.3527,-8.6486,-5.1052,-5.1048,-4.1638,1.6159,2.4064,2.5364,2.6118,3.9745,D00870_B05CA04,6000010000030000000007200c0400004c000004000000020000000c0000000208004008000000608010580a000000c0016020002080400000000000002000802d6140004020218001080000000000008080006004240000420800100000000010000100c001020080000000170000050102b000000080010820800012000000,0000000000b021,01004008000000000000000000000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18da021829009d62148e81f,0,11,15,2,0,3,27,28,-9.531,-1.357,0,,0.056011226,+,0.8201,-,0.8201,https://www.genome.jp/dbget-bin/www_bget?dr:D00870
1373,D00870, Sulfamethizole (JP17/USP/INN), Sulfonamides,D06BA04,DERMATOLOGICALS,c1(S(=O)(=O)Nc2sc(nn2)C)ccc(cc1)N,270.33099999999996,2.9645,66.3931,134.59,16,2,7,VACCAVUAMIDAGB-UHFFFAOYSA-N,C9H10N4O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",-9.383,-9.3472,-8.6675,-5.1059,-5.1042,-4.1634,1.6171,2.4046,2.5349,2.6273,3.9602,D00870_D06BA04,6000010000030000000007200c0400004c000004000000020000000c0000000208004008000000608010580a000000c0016020002080400000000000002000802d6140004020218001080000000000008080006004240000420800100000000010000100c001020080000000170000050102b000000080010820800012000000,0000000000b021,01004008000000000000000000000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18da021829009d62148e81f,0,11,15,2,0,3,27,28,-9.531,-1.357,0,,0.056011226,+,0.8201,-,0.8201,https://www.genome.jp/dbget-bin/www_bget?dr:D00870
1374,D00870, Sulfamethizole (JP17/USP/INN), Short-acting sulfonamides,J01EB02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2sc(nn2)C)ccc(cc1)N,270.33099999999996,2.9645,66.3931,134.59,16,2,7,VACCAVUAMIDAGB-UHFFFAOYSA-N,C9H10N4O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",-9.3698,-9.3539,-8.6624,-5.1043,-5.1039,-4.1634,1.6193,2.4074,2.5388,2.6122,3.9679,D00870_J01EB02,6000010000030000000007200c0400004c000004000000020000000c0000000208004008000000608010580a000000c0016020002080400000000000002000802d6140004020218001080000000000008080006004240000420800100000000010000100c001020080000000170000050102b000000080010820800012000000,0000000000b021,01004008000000000000000000000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18da021829009d62148e81f,0,11,15,2,0,3,27,28,-9.531,-1.357,0,,0.056011226,+,0.8201,-,0.8201,https://www.genome.jp/dbget-bin/www_bget?dr:D00870
1375,D00870, Sulfamethizole (JP17/USP/INN), Sulfonamides,S01AB01,SENSORY ORGANS,c1(S(=O)(=O)Nc2sc(nn2)C)ccc(cc1)N,270.33099999999996,2.9645,66.3931,134.59,16,2,7,VACCAVUAMIDAGB-UHFFFAOYSA-N,C9H10N4O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",-9.3751,-9.3509,-8.6563,-5.105,-5.105,-4.1655,1.6167,2.4072,2.5355,2.6119,3.9673,D00870_S01AB01,6000010000030000000007200c0400004c000004000000020000000c0000000208004008000000608010580a000000c0016020002080400000000000002000802d6140004020218001080000000000008080006004240000420800100000000010000100c001020080000000170000050102b000000080010820800012000000,0000000000b021,01004008000000000000000000000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18da021829009d62148e81f,0,11,15,2,0,3,27,28,-9.531,-1.357,0,,0.056011226,+,0.8201,-,0.8201,https://www.genome.jp/dbget-bin/www_bget?dr:D00870
1376,D07146, Taurolidine (INN), Antiinfectives,B05CA05,BLOOD AND BLOOD FORMING ORGANS,C1S(=O)(=O)NC[N@@H+](C1)C[N@@H+]1CNS(=O)(=O)CC1,286.372,0.4523,78.4438,117.98,24,4,6,AJKIRUJIDFJUKJ-UHFFFAOYSA-P,C7H18N4O4S2++,O=S1(=O)CC[NH+](CN1)C[NH+]1CCS(=O)(=O)NC1,"InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2/p+2",-10.3778,-10.3224,-9.3184,-9.3109,-8.6902,-8.6876,5.0627,5.2434,5.3921,5.4246,6.3033,D07146_B05CA05,600621020100000000000400000000002c040000000004800100000000000000200008080000000000000300010100000040060040000000000002000000000000000000000000c04100040000000000000000c000242006002000020000020000200000040000000000000000000000000c3002008000040000000400000000,0100000000e001,000000000000000000000000000000000000000000000000000024000000000000000400c02a04,000000880904551a1495b226abc2b0cb8f6b4f6d1d,0,0,32,4,0,2,35,36,-18.611,-9.587,2,-1.0,4.37679e-13,-,34.2493,-,34.2493,https://www.genome.jp/dbget-bin/www_bget?dr:D07146
1377,D07426, Noxytiolin (INN), Antiinfectives,B05CA07,BLOOD AND BLOOD FORMING ORGANS,N(C(=S)NCO)C,120.17299999999999,-0.1881,31.0912,76.38,12,3,4,JLMHZVYLAQPMOZ-UHFFFAOYSA-N,C3H8N2OS,CNC(=S)NCO,"InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)",-4.2563,-4.039,-3.8727,-3.8652,-3.8552,-3.8253,1.5374,1.5838,1.6743,1.7639,3.1834,D07426_B05CA07,0800010000000000010004000000800000000000000000000000000000000000080000000000000000000000000100000002000000000000000000000000000008001000000000000000000000000000000000000000200000000000000200000020002000000000000000000000000000080000000000000000000000000000,0000000c00a000,000000000000000003000000000000000040080000000000000000000000000000000000402800,000000080044100000118312093a1000042440bd09,0,0,13,1,0,3,15,14,-8.413,0.266,0,-1.0,,-,1.0390000000000001,-,1.0390000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D07426
1378,D01248, Acrinol hydrate (JP17), Antiinfectives,B05CA08,BLOOD AND BLOOD FORMING ORGANS,c1c(OCC)cc2c(c1)nc1c(c2N)ccc(c1)N,253.299,4.1135,79.3568,74.16,19,2,4,CIKWKGFPFXJVGW-UHFFFAOYSA-N,C15H15N3O,CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,"InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)",-5.1101,-5.1079,-5.1076,-5.103,-2.0696,-2.0676,0.9201,1.3667,1.3865,1.6892,1.787,D01248_B05CA08,400000000000040000000600000280000000000080800400000000000020000000000080000080200880000800000040000002000000200000000000000000000c000c00410000010000400006088000008000400400000040080000000000000800000000800802000000000010040000020000084000200800000002000004,0000000050b021,010042080000000000000000000000000000000000009000000000000000000000004600403000,000000000000000001800800121103615461c1bd1f,0,16,20,0,0,2,34,36,-7.547000000000001,-0.674,0,,0.218112633,+,0.5298,-,0.5298,https://www.genome.jp/dbget-bin/www_bget?dr:D01248
1379,D01248, Acrinol hydrate (JP17), Acridine derivatives,D08AA01,DERMATOLOGICALS,c1c(OCC)cc2c(c1)nc1c(c2N)ccc(c1)N,253.299,4.1135,79.3568,74.16,19,2,4,CIKWKGFPFXJVGW-UHFFFAOYSA-N,C15H15N3O,CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,"InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)",-5.1095,-5.1085,-5.1076,-5.1024,-2.073,-2.0709,0.9156,1.3668,1.386,1.6914,1.7854,D01248_D08AA01,400000000000040000000600000280000000000080800400000000000020000000000080000080200880000800000040000002000000200000000000000000000c000c00410000010000400006088000008000400400000040080000000000000800000000800802000000000010040000020000084000200800000002000004,0000000050b021,010042080000000000000000000000000000000000009000000000000000000000004600403000,000000000000000001800800121103615461c1bd1f,0,16,20,0,0,2,34,36,-7.547000000000001,-0.674,0,,0.218112633,+,0.5298,-,0.5298,https://www.genome.jp/dbget-bin/www_bget?dr:D01248
1380,D05855, Sodium citrate (USP), Salt solutions,B05CB02,BLOOD AND BLOOD FORMING ORGANS,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5953,-4.5745,-4.5612,-4.4805,-4.4617,-4.4404,2.3743,2.3787,2.3897,2.4423,2.5121,D05855_B05CB02,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.363,13.794,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D05855
1381,D01781, Sodium citrate hydrate (JP17), Salt solutions,B05CB02,BLOOD AND BLOOD FORMING ORGANS,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5879,-4.586,-4.5824,-4.4097,-4.4039,-4.4015,2.3655,2.3742,2.3797,2.3919,2.4398,D01781_B05CB02,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.363,13.795,0,1.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D01781
1382,D01203, Sodium bicarbonate (JP17/USP), Salt solutions,B05CB04,BLOOD AND BLOOD FORMING ORGANS,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.108,-6.1078,-5.8858,-1.8078,-1.8078,-1.5615,0.9813,2.3631,2.3631,2.7797,3.4071,D01203_B05CB04,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.364,16.424,0,,0.0,-,0.9804,-,0.9804,https://www.genome.jp/dbget-bin/www_bget?dr:D01203
1383,D01203, Sodium bicarbonate (JP17/USP), Electrolyte solutions,B05XA02,BLOOD AND BLOOD FORMING ORGANS,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1082,-6.1079,-5.8858,-1.8079,-1.8078,-1.5615,0.9813,2.3632,2.3632,2.7796,3.407,D01203_B05XA02,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.364,16.424,0,,0.0,-,0.9804,-,0.9804,https://www.genome.jp/dbget-bin/www_bget?dr:D01203
1384,D00009, Glucose (JP17), Other irrigating solutions,B05CX01,BLOOD AND BLOOD FORMING ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-VFUOTHLCSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",-3.8559,-3.1678,-2.244,-1.9218,-1.9165,-1.9127,1.6722,1.9797,2.3286,2.3299,2.3393,D00009_B05CX01,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.587,1.459,5,1.0,0.000390792,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D00009
1385,D00009, Glucose (JP17), Tests for diabetes,V04CA02,VARIOUS,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-VFUOTHLCSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",-3.8558,-3.1679,-2.2439,-1.9216,-1.9165,-1.9125,1.6722,1.98,2.3285,2.3299,2.3393,D00009_V04CA02,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.587,1.459,5,1.0,0.000390792,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D00009
1386,D00009, Glucose (JP17), Carbohydrates,V06DC01,VARIOUS,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-VFUOTHLCSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",-3.8558,-3.1677,-2.244,-1.9217,-1.9165,-1.9126,1.6722,1.9799,2.3285,2.3298,2.3394,D00009_V06DC01,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.587,1.459,5,1.0,0.000390792,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D00009
1387,D02325, Dextrose (USP), Other irrigating solutions,B05CX01,BLOOD AND BLOOD FORMING ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-DVKNGEFBSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",-3.8555,-3.1668,-2.2486,-1.9214,-1.9154,-1.909,1.6819,1.9726,2.3268,2.3393,2.3528,D02325_B05CX01,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.585,1.455,5,1.0,0.00039085300000000003,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D02325
1388,D02325, Dextrose (USP), Tests for diabetes,V04CA02,VARIOUS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-DVKNGEFBSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",-3.8537,-3.1704,-2.2461,-1.9217,-1.9134,-1.9086,1.6821,1.8755,2.3275,2.3301,2.3604,D02325_V04CA02,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.585,1.455,5,1.0,0.00039085300000000003,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D02325
1389,D02325, Dextrose (USP), Carbohydrates,V06DC01,VARIOUS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-DVKNGEFBSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1",-3.8579,-3.1723,-2.2325,-1.9198,-1.9171,-1.9079,1.6569999999999998,1.9752,2.3179,2.3377,2.346,D02325_V06DC01,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.585,1.455,5,1.0,0.00039085300000000003,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D02325
1390,D00011, Glycine (JP17/USP), Other irrigating solutions,B05CX03,BLOOD AND BLOOD FORMING ORGANS,OC(=O)C[NH3+],76.0745,-1.6871,17.4649,64.94,7,2,2,DHMQDGOQFOQNFH-UHFFFAOYSA-O,C2H6NO2+,OC(=O)C[NH3+],"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1",-5.3824,-5.3688,-5.3667,-4.6344,-4.5834,-4.4428,1.7549,2.1645,2.3807,2.5249,2.5518,D00011_B05CX03,00000000000000000000040000000000000000000000000000000000000000000000000000000002000a0000000000000000000000000000000000000000000008000800000000000000000000800000002000400000000000000000000000000000000000000000000000000000000000040000000000000000000000000000,0500000c00e002,0000c0000400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000000240880000040c04407709,0,0,9,1,0,1,11,10,-8.889,-0.36200000000000004,0,,,-,0.6725,-,0.6725,https://www.genome.jp/dbget-bin/www_bget?dr:D00011
1391,D01779, Sodium acetate (USP), Electrolyte solutions,B05XA08,BLOOD AND BLOOD FORMING ORGANS,CC(=O)O,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5657,-4.4319999999999995,-1.3341,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D01779_B05XA08,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.9760000000000004,8.242,0,,9.94283e-13,+,0.9621,-,0.9621,https://www.genome.jp/dbget-bin/www_bget?dr:D01779
1392,D04836, Magnesium phosphate (USP), Electrolyte solutions,B05XA10,BLOOD AND BLOOD FORMING ORGANS,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.3952,-10.0207,-9.7162,-9.7162,-2.4796,-2.1144,3.4275,3.5962,3.6375,4.8269,5.0039,D04836_B05XA10,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.902,22.776999999999997,0,0.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D04836
1393,D01154, Potassium acetate (JAN/USP), Electrolyte solutions,B05XA17,BLOOD AND BLOOD FORMING ORGANS,O=C(O)C,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5657,-4.4314,-1.334,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.362,D01154_B05XA17,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.245,0,,2.32229e-12,-,0.8228,-,0.8228,https://www.genome.jp/dbget-bin/www_bget?dr:D01154
1394,D01126, Arginine hydrochloride (USP), Amino acids,B05XB01,BLOOD AND BLOOD FORMING ORGANS,NC(=[NH2])NCCC[C@@H](C(=O)O)[NH3+],176.217,-0.6501,46.7554,129.01,20,5,4,ZGXZWDXIKAVAMI-BYPYZUCNSA-O,C6H16N4O2+,NC(=[NH2])NCCCC(C(=O)O)[NH3+],"InChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,10H,1-3,7-9H2,(H,11,12)/p+1/t4-/m0/s1",-12.512,-12.4968,-10.8107,-6.2074,-6.1859,-6.1819,3.7861,3.7887,3.8674,5.0026,5.0601,D01126_B05XB01,00020000000008800000040010000000000000100000004000000000000000001000100000000003000a01100000000001000000000040000000000000000000080018000000000000000001109000040030034000002000820000000002200000200000000000000000000000000800000c0000000010000000000100000100,0500000c00e002,0200c0000400000000008800000000100040000000000000000000000000000000000000c02a04,000000010004210000300a46884260040424447f09,0,0,25,2,0,6,28,27,-11.001,-5.608,1,2.0,,+,0.8136,-,0.8136,https://www.genome.jp/dbget-bin/www_bget?dr:D01126
1395,D06483, Arginine hydrochloride, Amino acids,B05XB01,BLOOD AND BLOOD FORMING ORGANS,NC(=[NH2])NCCC[C@@H](C(=O)O)[NH3+],176.217,-0.6501,46.7554,129.01,20,5,4,ZGXZWDXIKAVAMI-BYPYZUCNSA-O,C6H16N4O2+,NC(=[NH2])NCCCC(C(=O)O)[NH3+],"InChI=1S/C6H15N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4,10H,1-3,7-9H2,(H,11,12)/p+1/t4-/m0/s1",-12.5243,-12.4794,-10.8063,-6.2037,-6.1865,-6.1746,3.7771,3.7915,3.8856,4.9954,5.0681,D06483_B05XB01,00020000000008800000040010000000000000100000004000000000000000001000100000000003000a01100000000001000000000040000000000000000000080018000000000000000001109000040030034000002000820000000002200000200000000000000000000000000800000c0000000010000000000100000100,0500000c00e002,0200c0000400000000008800000000100040000000000000000000000000000000000000c02a04,000000010004210000300a46884260040424447f09,0,0,25,2,0,6,28,27,-11.001,-5.607,1,1.0,,+,0.8136,-,0.8136,https://www.genome.jp/dbget-bin/www_bget?dr:D06483
1396,D02304, Lysine (USAN/INN), Amino acids,B05XB03,BLOOD AND BLOOD FORMING ORGANS,[C@H](CCCC[NH3+])(C(=O)O)[NH3+],148.203,-1.9063,40.658,92.58,17,3,2,KDXKERNSBIXSRK-YFKPBYRVSA-P,C6H16N2O2++,[NH3+]CCCCC(C(=O)O)[NH3+],"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1",-5.3781,-5.3689,-5.3667,-5.3581,-5.3541,-5.345,1.7836,2.3316,2.3363,2.3658,2.3919,D02304_B05XB03,00000000000000000000040000000000000000000000000000000000000000001000000000000003300a0010000000000100000000204000000000000000000008000800000000000000800008800004003001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000100,0500000c00e002,0200c0000400000000008800000000100000000000000000000000000000000000000000c02a04,000000000000210000000246884020040524447f09,0,0,24,1,0,5,26,25,-10.917,-4.747,1,0.0,,-,0.6257,-,0.6257,https://www.genome.jp/dbget-bin/www_bget?dr:D02304
1397,D04492, Icatibant acetate (JAN/USAN), Drugs used in hereditary angioedema,B06AC02,BLOOD AND BLOOD FORMING ORGANS,N1(C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=[NH2])N)[NH3+])CCCNC(=[NH2])N)[C@@H](CCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1Cc2c(C[C@@H]1C(=O)N1[C@@H](C[C@H]3[C@@H]1CCCC3)C(=O)N[C@@H](CCCNC(=[NH2])N)C(=O)O)cccc2)CO)Cc1cccs1)O,1308.55,0.8107,355.397,552.59,123,18,29,PIZXKLFFROLXLF-SKXRKSCCSA-O,C59H93N19O13S+,OCC(C(=O)N1Cc2ccccc2CC1C(=O)N1C2CCCCC2CC1C(=O)NC(C(=O)O)CCCNC(=[NH2])N)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(CN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCNC(=[NH2])N)[NH3+])CCCNC(=[NH2])N)O,"InChI=1S/C59H92N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,67-69,79-80H,3-8,11,14-22,24-31,60-66H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)/p+1/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1",-12.5883,-12.5434,-12.5118,-12.4995,-12.4912,-12.3293,5.0323,5.0443,5.104,5.9194,5.9603,D04492_B06AC02,102ec10000400eb80b0086001001000c0402009000400040050000c6012840021800508383400003b08e3d7800090280050200000860c002280000020202001008401c1280241882032020019ab8001680b003c000023008c2084900800a20000c3000228000000110000000a0001800000e0114000110000072800108800500,0500003c00f003,0638c00004000000000088001a0000c0014000000000c000000000000000000000004600c02a04,000000010804210000749fcf9b73f0c78defef7f1f,0,11,167,13,0,42,185,191,-9.067,-8.49,12,1.0,,+,30.6245,-,30.6245,https://www.genome.jp/dbget-bin/www_bget?dr:D04492
1398,D06881, Acetyldigitoxin (INN), Digitalis glycosides,C01AA01,CARDIOVASCULAR SYSTEM,[C@H]1(O[C@@H]([C@H]([C@H](C1)OC(=O)C)O)C)O[C@H]1[C@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@H](O[C@H](C[C@@H]1O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@]([C@@H]3CC[C@@H]2C1)(CC[C@@H]4C1=CC(=O)OC1)O)C)C)C)O,806.9760000000001,3.8181,204.674,188.9,80,4,14,HPMZBILYSWLILX-UMDUKNJSSA-N,C43H66O14,CC(=O)OC1CC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C)OC(C1O)C,"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1",-4.7262,-4.4185,-3.2768,-3.1897,-3.1823,-3.1557,1.8709,1.9073,1.9243,1.94,2.1103,D06881_C01AA01,100080000000a2240a00000100020000200000a40040400000040000001400001000000800800005800a0010200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000500000000008140000000,0400006c30a005,1f680000000080400000b000000000000001000000000000000000000000000000004477407805,0000000000000221820804879699ace48d5db7d31c,0,0,127,3,0,9,123,130,-10.15,-0.171,20,0.0,0.664147735,+,8.7433,-,8.7433,https://www.genome.jp/dbget-bin/www_bget?dr:D06881
1399,D07555, Acetyldigoxin, Digitalis glycosides,C01AA02,CARDIOVASCULAR SYSTEM,O([C@@H]1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC(=O)C)O)C)C)C,822.975,2.7889,205.83599999999998,209.13,81,5,15,HWKJSYYYURVNQU-DXJNJSHLSA-N,C43H66O15,CC(=O)OC1CC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)OC(C1O)C,"InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1",-4.8482,-4.4318,-3.2015,-3.185,-3.1756,-3.1726,1.8614,1.8892,1.8901,1.9108,1.9133,D07555_C01AA02,100080000000a2240a00000100020000200000a40040400000040000001400001000000800800005800a0010200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000500000000008140000000,0400006c30a005,1f680000000080400000b000000000000001000000000000000000000000000000004477407805,0000000000001221820804879699ace48d5db7d31c,0,0,128,3,0,9,124,131,-10.127,-0.342,21,-1.0,0.398357123,+,8.8952,-,8.8952,https://www.genome.jp/dbget-bin/www_bget?dr:D07555
1400,D00297, Digitoxin (JP17/USP/INN), Digitalis glycosides,C01AA04,CARDIOVASCULAR SYSTEM,C1(=CC(=O)OC1)[C@@H]1[C@@]2([C@@]([C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@H](CC4)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O)O)O)C)CC2)(CC1)O)C,764.939,3.2473,194.937,182.83,77,5,13,WDJUZGPOPHTGOT-XUDUSOBPSA-N,C41H64O13,O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",-4.7809,-3.2177,-3.1753,-3.174,-3.1735,-3.1714,1.8915,1.9084,1.9177,1.9502,1.9722,D00297_C01AA04,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000100000000008140000000,0400006c30a005,1f680000000180400000a000000000000001000000000000000000000000000000004477407804,0000000000002221820804879699ace40d5db7d31c,0,0,123,2,0,7,118,125,-10.082,-0.268,20,,0.514423549,+,7.6093,-,7.6093,https://www.genome.jp/dbget-bin/www_bget?dr:D00297
1401,D00298, Digoxin (JP17/USP), Digitalis glycosides,C01AA05,CARDIOVASCULAR SYSTEM,O([C@@H]1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O)C)C)C,780.938,2.2181,196.09900000000002,203.06,78,6,14,LTMHDMANZUZIPE-PUGKRICDSA-N,C41H64O14,O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",-4.7053,-3.2427,-3.2227,-3.1821,-3.1659,-3.1639,1.9004,1.9495,1.9932,2.0025,2.0081,D00298_C01AA05,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000100000000008140000000,0400006c30a005,1f680000000180400000a000000000000001000000000000000000000000000000004477407804,0000000000003221820804879699ace40d5db7d31c,0,0,124,2,0,7,119,126,-10.126,-0.045,21,1.0,0.359983802,+,7.7434,-,7.7434,https://www.genome.jp/dbget-bin/www_bget?dr:D00298
1402,D01972, Lanatoside C (JP17/INN), Digitalis glycosides,C01AA06,CARDIOVASCULAR SYSTEM,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@@H](O[C@@H]1C)O[C@@H]1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O)C)OC(=O)C)CO)O)O,985.1160000000001,0.6131,238.21900000000002,288.28,96,8,20,JAYAGJDXJIDEKI-PTGWOZRBSA-N,C49H76O20,OCC1OC(OC2C(C)OC(CC2OC(=O)C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)C(C(C1O)O)O,"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1",-4.8748,-4.4308,-3.1951,-3.1882,-3.1866,-3.1713,1.9244,1.9385,1.9628,1.9936,2.1774,D01972_C01AA06,100080000000a2240a00000100020000200000a40040400000040000001400001000000800800005800a0010200010000120000010a04113000000001000820008902a00000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100080500000000008140000000,0400007c30a005,1f780000000180400000b000000000000001000000000000000000000000000000004477407805,0000000000003221820806879699ace48d5fb7d71c,0,0,150,3,0,12,145,153,-10.127,0.135,26,1.0,0.333989799,+,12.5904,-,12.5904,https://www.genome.jp/dbget-bin/www_bget?dr:D01972
1403,D01240, Deslanoside (JP17/USP/INN), Digitalis glycosides,C01AA07,CARDIOVASCULAR SYSTEM,[C@@H]1(C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O[C@@H]1[C@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@H](O[C@@H]2C[C@@H]3[C@@]([C@@H]4[C@H]([C@@]5([C@@]([C@@H](C4)O)(C)[C@H](CC5)C4=CC(=O)OC4)O)CC3)(CC2)C)O[C@@H]1C)O)C,943.079,0.0423,228.482,282.21,93,9,19,OBATZBGFDSVCJD-LALPQLPRSA-N,C47H74O19,OCC1OC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)C(C(C1O)O)O,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",-4.6008,-3.2482,-3.1628,-3.1596,-3.1594,-3.159,1.9316,1.9548,1.9865,2.3009,2.35,D01240_C01AA07,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902a00000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000100000000008140000000,0400007c30a005,1f780000000180400000a000000000000001000000000000000000000000000000004477407804,0000000000003221820806879699ace40d5fb7d71c,0,0,146,2,0,10,140,148,-10.029,-0.204,26,1.0,0.147043496,+,11.1554,-,11.1554,https://www.genome.jp/dbget-bin/www_bget?dr:D01240
1404,D09847, Metildigoxin (INN), Digitalis glycosides,C01AA08,CARDIOVASCULAR SYSTEM,[C@@H]1([C@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@@H](O[C@@H]1C)O[C@@H]1C[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@@]2([C@@]([C@@H](C1)O)(C)[C@H](CC2)C1=CC(=O)OC1)O)C)O)C)O)OC,794.965,2.8722,200.829,192.06,80,5,14,IYJMSDVSVHDVGT-PEQKVOOWSA-N,C42H66O14,COC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1CCC2(C(C1)CCC1C2CC(O)C2(C1(O)CCC2C1=CC(=O)OC1)C)C,"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1",-4.6977,-3.2407,-3.1631,-3.1611,-3.1596,-3.1561,1.7912,1.8767,1.9155,1.9308,1.9311,D09847_C01AA08,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000100000000008140000000,0400006c30a005,1fe80000000080400000a000000000000001000000000000000000000000000000004477407804,0000000000001221820804979699ace40d5db7d31c,0,0,127,2,0,8,122,129,-10.127,-0.113,21,-1.0,0.562796593,+,8.1761,-,8.1761,https://www.genome.jp/dbget-bin/www_bget?dr:D09847
1405,D02587, Metildigoxin (JP17), Digitalis glycosides,C01AA08,CARDIOVASCULAR SYSTEM,[C@@]12([C@@]([C@H](CC2)C2=CC(=O)OC2)([C@@H](C[C@H]2[C@H]1CC[C@H]1[C@@]2(CC[C@@H](C1)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)OC)C)O)O)C)O)C)O,794.965,2.8722,200.829,192.06,80,5,14,IYJMSDVSVHDVGT-PEQKVOOWSA-N,C42H66O14,COC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1CCC2(C(C1)CCC1C2CC(O)C2(C1(O)CCC2C1=CC(=O)OC1)C)C,"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1",-4.6856,-3.2429,-3.2035,-3.1723,-3.1512,-3.1448,1.8456,1.8756,1.8816,1.9074,1.9529,D02587_C01AA08,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902800000400000000800200800200008000400000004028001001002020014004000880280000000800004000288000038100000100000000008140000000,0400006c30a005,1fe80000000080400000a000000000000001000000000000000000000000000000004477407804,0000000000001221820804979699ace40d5db7d31c,0,0,127,2,0,8,122,129,-10.068999999999999,0.19699999999999998,21,1.0,0.44353836799999996,+,8.1761,-,8.1761,https://www.genome.jp/dbget-bin/www_bget?dr:D02587
1406,D07147, Gitoformate (INN), Digitalis glycosides,C01AA09,CARDIOVASCULAR SYSTEM,C1[C@@H]2[C@H]([C@]3([C@@](C1)([C@@H]([C@H](C3)OC=O)C1=CC(=O)OC1)C)O)CC[C@H]1[C@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC=O)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC=O)OC=O)C)OC=O)C)C,920.9889999999999,6.3011,222.695,233.41,83,1,19,DOMHWKQEPDYUQX-VPFMGRJWSA-N,C46H64O19,O=COC1CC(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CC(C3C2=CC(=O)OC2)OC=O)C)C)OC(C1OC1CC(OC=O)C(C(O1)C)OC1CC(OC=O)C(C(O1)C)OC=O)C,"InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26+,28-,29+,30-,31-,32-,33-,34+,35+,37+,38+,39-,40-,41+,42+,43-,44-,45+,46-/m1/s1",-4.8223,-4.5236,-4.468,-4.4379,-4.4286,-4.3479,1.6132,1.6629,1.8652,1.9102,1.9161,D07147_C01AA09,100080000000a2240a00000100020000200000a40060400000040000001400001000000800a00005800a00102000100001a0000010a041130000000010008200089028000404000000008002008002000080004000020040280010010020200140040028802a0000000800004000288000038100080500000000008140000000,0400004c30a005,1f480000000080400000b000000000000001000000000000000000000000000000004477407804,0000000000000221820804879699ace4895db7d31c,0,0,129,7,0,17,129,136,-10.628,-0.595,21,-1.0,0.612858295,+,12.3029,-,12.3029,https://www.genome.jp/dbget-bin/www_bget?dr:D07147
1407,D01379, Proscillaridin (JAN/USAN/INN), Scilla glycosides,C01AB01,CARDIOVASCULAR SYSTEM,C1[C@@H](C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C,530.65,3.0138,140.60299999999998,129.59,49,4,8,MYEJFUXQJGHEQK-ALRJYLEOSA-N,C30H42O8,OC1C(OC2CCC3(C(=C2)CCC2C3CCC3(C2(O)CCC3c2ccc(=O)oc2)C)C)OC(C(C1O)O)C,"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1",-4.7454,-3.1745,-3.1448,-2.3459,-2.2402,-1.9102,1.5398,1.8238,1.8367,1.9164,1.9344,D01379_C01AB01,100400000000a2240200020102220062210090ae1040400001440080501420001000580848c000050000000a200110000100000010a04033200000022000800008902a10800400008000a002008402480080404820001040680018410048200202040008006800020009c0005101288000038100020108000000200140000400,0000006c30b001,1f680000000180400000a00000000000000100000000a100000000000000000000004677402004,0000000200003221820800879689ade40d5db7d21e,0,6,77,2,0,3,80,85,-9.324,-0.445,12,-1.0,0.7070077659999999,+,3.6633,-,3.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D01379
1408,D00112, G-Strophanthin (JAN), Strophantus glycosides,C01AC01,CARDIOVASCULAR SYSTEM,[C@]12([C@@H]3[C@H]([C@@]4([C@](C[C@H]3O)([C@H](CC4)C3=CC(=O)OC3)C)O)CC[C@@]1(C[C@H](C[C@H]2O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)CO,584.6519999999999,-1.515,140.664,206.6,56,8,12,LPMXVESGRSUGHW-HBYQJFLCSA-N,C29H44O12,OCC12C(O)CC(CC2(O)CCC2C1C(O)CC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",-4.752,-3.2215,-3.1509,-3.1408,-2.254,-2.2254,1.9316,2.2762,2.3924,2.4097,2.5043,D00112_C01AC01,100080000000a2240200000100020000200000a40040400000040000001400001000000800800005800a0000200010000120000010a04113000000001000820008902a00000400000000800200800200008000400000004028001001000020010004000880280000000800004000288000030100000100000000008140000000,0400007c30a005,1f780000000180400000a000000000000001000000000000000000000000000000004477407804,0000000000003221820806879699ace40d4fb7d71c,0,0,88,2,0,4,85,90,-10.342,-0.293,15,0.0,0.039855178,+,4.0857,-,4.0857,https://www.genome.jp/dbget-bin/www_bget?dr:D00112
1409,D08458, Quinidine (BAN)," Antiarrhythmics, class Ia",C01BA01,CARDIOVASCULAR SYSTEM,c12c([C@@H]([C@@H]3[N@@H+]4C[C@@H]([C@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-LHHVKLHASA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19+,20-/m0/s1",-6.044,-4.5789,-4.54,-4.4712,-2.9142,-2.2489,1.474,1.5373,1.5541,1.5671,1.9583,D08458_C01BA01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.567,-3.812,5,0.0,0.00137466,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D08458
1410,D00642, Quinidine gluconate (USP)," Antiarrhythmics, class Ia",C01BA01,CARDIOVASCULAR SYSTEM,c12c([C@@H]([C@@H]3[N@@H+]4C[C@@H]([C@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-LHHVKLHASA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19+,20-/m0/s1",-6.0471,-4.5682,-4.5395,-4.4521,-2.8975,-2.2383,1.4731,1.5333,1.5573,1.5663,1.9486,D00642_C01BA01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.57,-3.82,5,,0.001244901,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D00642
1411,D00643, Quinidine polygalacturonate," Antiarrhythmics, class Ia",C01BA01,CARDIOVASCULAR SYSTEM,c12c([C@@H]([C@@H]3[N@@H+]4C[C@@H]([C@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-LHHVKLHASA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19+,20-/m0/s1",-6.0474,-4.5819,-4.5360000000000005,-4.4564,-2.897,-2.2518,1.4744,1.536,1.5582,1.5649,1.9553,D00643_C01BA01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.571,-3.8139999999999996,5,,0.00137407,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D00643
1412,D02272, Quinidine sulfate (USP)," Antiarrhythmics, class Ia",C01BA01,CARDIOVASCULAR SYSTEM,c12c([C@@H]([C@@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-SMHQJORMSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19+,20-/m0/s1",-6.0473,-4.5539,-4.548,-4.4381,-2.8921,-2.2453,1.4736,1.5282,1.556,1.5668,1.9498,D02272_C01BA01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.57,-3.821,5,0.0,0.015951442,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D02272
1413,D08459, Quinidine phenylethylbarbiturate," Antiarrhythmics, class Ia",C01BA01,CARDIOVASCULAR SYSTEM,c12c([C@@H]([C@@H]3[N@@H+]4C[C@@H]([C@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-LHHVKLHASA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19+,20-/m0/s1",-6.0211,-4.5723,-4.5692,-4.5024,-2.878,-2.2268,1.5461,1.5534,1.5637,1.617,1.9443,D08459_C01BA01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.572000000000001,-3.8139999999999996,5,1.0,0.0013747579999999998,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D08459
1414,D08421, Procainamide (INN)," Antiarrhythmics, class Ia",C01BA02,CARDIOVASCULAR SYSTEM,c1(C(=O)NCC[NH+](CC)CC)ccc(cc1)N,236.333,0.8954,72.0313,59.56,25,3,3,REQCZEXYDRLIBE-UHFFFAOYSA-O,C13H22N3O+,CC[NH+](CCNC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/p+1",-5.9583,-5.1017,-5.0991,-4.6185,-4.5936,-4.5403,1.5739,1.6044,1.6064,2.6235,3.0929,D08421_C01BA02,000200000000048001000600000100080000008000000000000000c0000000000c0040020000002000860228000000400000000000000000000000020000000000000000400400000020000002880000008000400400200040080100000000000810000200000000000000000000000000060184000100000028000002000000,0500000000f021,0100400a04000000000080000a0000000001000000000000000000000000000000000240c02a00,000000000000210000403a0c88683a0255225caf1f,0,6,32,1,0,7,39,39,-10.807,-4.112,0,2.0,0.000529653,-,0.2464,-,0.2464,https://www.genome.jp/dbget-bin/www_bget?dr:D08421
1415,D00477, Procainamide hydrochloride (JP17/USP)," Antiarrhythmics, class Ia",C01BA02,CARDIOVASCULAR SYSTEM,c1(C(=O)NCC[NH+](CC)CC)ccc(cc1)N,236.333,0.8954,72.0313,59.56,25,3,3,REQCZEXYDRLIBE-UHFFFAOYSA-O,C13H22N3O+,CC[NH+](CCNC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)/p+1",-5.9597,-5.1113,-5.1001,-4.5948,-4.5825,-4.5409,1.5732,1.5887,1.617,2.64,3.1008,D00477_C01BA02,000200000000048001000600000100080000008000000000000000c0000000000c0040020000002000860228000000400000000000000000000000020000000000000000400400000020000002880000008000400400200040080100000000000810000200000000000000000000000000060184000100000028000002000000,0500000000f021,0100400a04000000000080000a0000000001000000000000000000000000000000000240c02a00,000000000000210000403a0c88683a0255225caf1f,0,6,32,1,0,7,39,39,-10.808,-4.114,0,,0.0005295769999999999,-,0.2464,-,0.2464,https://www.genome.jp/dbget-bin/www_bget?dr:D00477
1416,D00303, Disopyramide (JP17/USAN/INN)," Antiarrhythmics, class Ia",C01BA03,CARDIOVASCULAR SYSTEM,c1ccnc(c1)[C@@](c1ccccc1)(CC[NH+](C(C)C)C(C)C)C(=O)N,340.48199999999997,2.6451,103.897,60.42,33,2,3,UVTNFZQICZKOEM-NRFANRHFSA-O,C21H30N3O+,CC([NH+](C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=O)N)C,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/p+1/t21-/m0/s1",-6.0455,-4.917,-4.4514,-4.4454,-4.4302,-4.2542,1.6677,1.8301,1.9069999999999998,1.9393,2.0997,D00303_C01BA03,00068020007000000a008600840000040001005040000000800000a0000000001000408100008020008600180001006001020000080020000100000e00000000840004020000024000000000028800050090824004803008c00a080000082000001000212000000000000800200004000006011020411000000200000a000200,0500000000f001,0b0040020400000000008000060000000000000000009000000000000000000000000600c02a04,000000000000010003821a0e8be8380304315daf1f,0,12,43,1,0,8,55,56,-12.423,-3.813,1,,0.07117407,+,0.5933,-,0.5933,https://www.genome.jp/dbget-bin/www_bget?dr:D00303
1417,D00637, Disopyramide phosphate (JAN/USP)," Antiarrhythmics, class Ia",C01BA03,CARDIOVASCULAR SYSTEM,c1ccnc(c1)[C@@](c1ccccc1)(CC[NH+](C(C)C)C(C)C)C(=O)N,340.48199999999997,2.6451,103.897,60.42,33,2,3,UVTNFZQICZKOEM-NRFANRHFSA-O,C21H30N3O+,CC([NH+](C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=O)N)C,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/p+1/t21-/m0/s1",-6.0349,-4.7725,-4.4715,-4.4608,-4.4518,-4.2134,1.5824,1.6544,1.7838,1.8116,2.4278,D00637_C01BA03,00068020007000000a008600840000040001005040000000800000a0000000001000408100008020008600180001006001020000080020000100000e00000000840004020000024000000000028800050090824004803008c00a080000082000001000212000000000000800200004000006011020411000000200000a000200,0500000000f001,0b0040020400000000008000060000000000000000009000000000000000000000000600c02a04,000000000000010003821a0e8be8380304315daf1f,0,12,43,1,0,8,55,56,-12.429,-3.81,1,,0.071181648,+,0.5933,-,0.5933,https://www.genome.jp/dbget-bin/www_bget?dr:D00637
1418,D01041, Sparteine (INN)," Antiarrhythmics, class Ia",C01BA04,CARDIOVASCULAR SYSTEM,C1CC[N@@H+]2[C@H](C1)[C@@H]1C[C@H](C2)[C@H]2[N@H+](C1)CCCC2,236.396,2.6493,81.3104,8.88,28,2,0,SLRCCWJSBJZJBV-TUVASFSCSA-P,C15H28N2++,C1CCC2[NH+](C1)CC1CC2C[NH+]2C1CCCC2,"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/p+2/t12-,13-,14-,15+/m1/s1",-6.0314,-6.0191,-4.6005,-4.5338,-4.5253,-4.523,1.5802,1.5812,1.5894,1.6113,1.6178,D01041_C01BA04,00220000000002001000040000000000000000100000000000000000000000001000100000000000300000100000000001020000002000000000000000000000000000000000000000000000020000000000015000002000a0010000000000000000002000000000000000000000000000040000000010000004000100000000,0100000000e001,060040020400000000000000000000000000000000000000000000000000000000004400c00204,0000000000001100008032069a41a08305234d2915,0,0,48,0,0,0,45,48,-17.964000000000002,-7.444,6,0.0,1.4531399999999998e-08,+,1.4736,-,1.4736,https://www.genome.jp/dbget-bin/www_bget?dr:D01041
1419,D02239, Sparteine sulfate (JAN/USAN)," Antiarrhythmics, class Ia",C01BA04,CARDIOVASCULAR SYSTEM,C1CC[N@@H+]2[C@H](C1)[C@@H]1C[C@H](C2)[C@H]2[N@H+](C1)CCCC2,236.396,2.6493,81.3104,8.88,28,2,0,SLRCCWJSBJZJBV-TUVASFSCSA-P,C15H28N2++,C1CCC2[NH+](C1)CC1CC2C[NH+]2C1CCCC2,"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/p+2/t12-,13-,14-,15+/m1/s1",-6.0122,-6.0067,-4.5999,-4.5364,-4.5265,-4.524,1.58,1.5822,1.5884,1.6123,1.6172,D02239_C01BA04,00220000000002001000040000000000000000100000000000000000000000001000100000000000300000100000000001020000002000000000000000000000000000000000000000000000020000000000015000002000a0010000000000000000002000000000000000000000000000040000000010000004000100000000,0100000000e001,060040020400000000000000000000000000000000000000000000000000000000004400c00204,0000000000001100008032069a41a08305234d2915,0,0,48,0,0,0,45,48,-17.963,-7.444,6,0.0,1.45446e-08,+,1.4736,-,1.4736,https://www.genome.jp/dbget-bin/www_bget?dr:D02239
1420,D00199, Ajmaline (JP17)," Antiarrhythmics, class Ia",C01BA05,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)[C@@]13[C@@H](N2C)[C@H]2[N@H+]4[C@@H](C1)[C@H]([C@@H](C2)[C@@H]([C@H]4O)CC)[C@H]3O,327.441,1.7716,100.837,48.14,30,3,3,CJDRUOGAGYHKKD-RQBLFBSQSA-O,C20H27N2O2+,CCC1C2CC3[NH+](C1O)C1C2C(O)C2(C3N(C)c3c2cccc3)C1,"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/p+1/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1",-7.2218,-6.0344,-5.4627,-4.5534,-4.5313,-3.0434,2.2581,2.3053,2.3149,2.4802,3.4978,D00199_C01BA05,002e0020800002800a1006010280080c8010001000000000000000800100000013005083810000217001207800011040010200800820c00800000002008024080a001c00400106000020a003020000000080035004003008c00a0800000ab000000000200000000340a001004000182000060104220110000002000102400000,0100002c00f021,0f2840000100000000000000000000000000000000000000000000000000000000006600c02204,00000400000411000244149e93e992c345e5f9fc1f,0,6,50,0,0,1,51,56,-11.479000000000001,-3.7769999999999997,10,,0.001338596,-,2.494,-,2.494,https://www.genome.jp/dbget-bin/www_bget?dr:D00199
1421,D04774, Lorajmine hydrochloride (USAN)," Antiarrhythmics, class Ia",C01BA12,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)[C@@]13[C@@H](N2C)[C@H]2[N@H+]4[C@@H](C1)[C@H]([C@@H](C2)[C@@H]([C@H]4O)CC)[C@H]3OC(=O)CCl,403.92199999999997,2.5613,115.37,54.21,32,2,4,LAHDERDHXJFFJU-ZWNKPRIXSA-O,C22H28ClN2O3+,CCC1C2CC3[NH+](C1O)C1C2C(OC(=O)CCl)C2(C3N(C)c3c2cccc3)C1,"InChI=1S/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3/p+1/t11-,12-,15-,16-,18-,19-,20+,21+,22+/m0/s1",-7.2170000000000005,-6.034,-5.459,-4.5645,-4.5136,-4.4233,2.2525,2.3089,2.3141,2.4805,3.4815,D04774_C01BA12,002e0220800002800e1006010682080cc01000100002000000000088010400001300508381000021700b207820011140010200800820c00c000000020080a6080a101c00400106000020a803028000000080037004003008c00a0800000ab000400000200000000340a001004000182200070104220110000102000102400800,0500000c30f025,8f0040000100000000009000000000000000000000000000000000000000000000006600c02a04,00000400000401000244149ed3e992e76de5fbff1f,0,6,54,1,0,4,56,61,-11.466,-3.9010000000000002,10,1.0,0.006760306,-,2.4856,-,2.4856,https://www.genome.jp/dbget-bin/www_bget?dr:D04774
1422,D00358, Lidocaine (JP17/USP/INN)," Antiarrhythmics, class Ib",C01BB01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0096,-5.0202,-4.5760000000000005,-4.5568,-3.7437,-3.2717,1.5915,1.7782,1.9791,1.9884,2.7519,D00358_C01BB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1423,D00358, Lidocaine (JP17/USP/INN), Local anesthetics,C05AD01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0184,-5.0712,-4.5757,-4.5595,-3.8065,-3.2209,1.6073,1.7727,1.9121,2.0014,2.7493,D00358_C05AD01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1424,D00358, Lidocaine (JP17/USP/INN), Anesthetics for topical use,D04AB01,DERMATOLOGICALS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0299,-5.0503,-4.5808,-4.5802,-3.8357,-3.2356,1.6386,1.7747,1.9533,1.9824,2.7317,D00358_D04AB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1425,D00358, Lidocaine (JP17/USP/INN), Amides,N01BB02,NERVOUS SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0241,-4.9939,-4.5799,-4.5627,-3.8302,-3.2362,1.609,1.7562,1.9442,1.9814,2.7318,D00358_N01BB02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1426,D00358, Lidocaine (JP17/USP/INN)," Anesthetics, local",R02AD02,RESPIRATORY SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0419,-5.024,-4.5689,-4.5521,-3.8389,-3.2155,1.6162,1.7754,1.9352,1.9596,2.7532,D00358_R02AD02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1427,D00358, Lidocaine (JP17/USP/INN), Local anesthetics,S01HA07,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0147,-5.02,-4.5705,-4.5607,-3.784,-3.22,1.617,1.7629,1.8995,1.9783,2.6703,D00358_S01HA07,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1428,D00358, Lidocaine (JP17/USP/INN), Analgesics and anesthetics,S02DA01,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0262,-5.0678,-4.5844,-4.5602,-3.7733,-3.2569999999999997,1.6124,1.7733,1.9674,1.9712,2.7258,D00358_S02DA01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.317,0,0.0,0.0025114029999999997,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D00358
1429,D02086, Lidocaine hydrochloride (JAN/USP)," Antiarrhythmics, class Ib",C01BB01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0325,-5.0249,-4.5764,-4.5747,-3.7701,-3.2814,1.6241,1.7712,1.9574,1.9936,2.7379,D02086_C01BB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1430,D02086, Lidocaine hydrochloride (JAN/USP), Local anesthetics,C05AD01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0121,-4.986000000000001,-4.5874,-4.5692,-3.7673,-3.2338,1.6199,1.7674,1.9196,1.9598,2.8275,D02086_C05AD01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1431,D02086, Lidocaine hydrochloride (JAN/USP), Anesthetics for topical use,D04AB01,DERMATOLOGICALS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0245,-5.0352,-4.5582,-4.5581,-3.7752,-3.2163,1.6147,1.7745,1.9069,1.9847,2.6608,D02086_D04AB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1432,D02086, Lidocaine hydrochloride (JAN/USP), Amides,N01BB02,NERVOUS SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0376,-5.0659,-4.5736,-4.5601,-3.7655,-3.2579,1.6156,1.7791,1.9486,1.9807,2.7077,D02086_N01BB02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1433,D02086, Lidocaine hydrochloride (JAN/USP)," Anesthetics, local",R02AD02,RESPIRATORY SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0125,-5.0045,-4.579,-4.5352,-3.7564,-3.2312,1.6192,1.7481,1.9129,2.0048,2.7758,D02086_R02AD02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1434,D02086, Lidocaine hydrochloride (JAN/USP), Local anesthetics,S01HA07,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0462,-4.9787,-4.5629,-4.5629,-3.8117,-3.2515,1.6148,1.761,1.9331,2.0051,2.725,D02086_S01HA07,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1435,D02086, Lidocaine hydrochloride (JAN/USP), Analgesics and anesthetics,S02DA01,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0313,-5.0103,-4.5722,-4.5644,-3.8078,-3.2407,1.6089,1.761,1.9369,1.9875,2.7239999999999998,D02086_S02DA01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.254000000000001,-4.3180000000000005,0,,0.002382281,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D02086
1436,D08127, Lidocaine hydrochloride monohydrate," Antiarrhythmics, class Ib",C01BB01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0145,-5.0398,-4.5684,-4.5643,-3.7822,-3.2418,1.5953,1.7696,1.9074,2.0889,2.5789999999999997,D08127_C01BB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1437,D08127, Lidocaine hydrochloride monohydrate, Local anesthetics,C05AD01,CARDIOVASCULAR SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0351,-5.0253,-4.5762,-4.5741,-3.8326,-3.2461,1.6255,1.7718,1.9527,1.9831,2.7063,D08127_C05AD01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1438,D08127, Lidocaine hydrochloride monohydrate, Anesthetics for topical use,D04AB01,DERMATOLOGICALS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0251,-5.018,-4.5835,-4.5758,-3.793,-3.263,1.6248,1.7704,1.9574,1.9893,2.7605,D08127_D04AB01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1439,D08127, Lidocaine hydrochloride monohydrate, Amides,N01BB02,NERVOUS SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0321,-5.0343,-4.5805,-4.5798,-3.7801,-3.2656,1.6266,1.7739,1.9558,1.9879,2.7388,D08127_N01BB02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1440,D08127, Lidocaine hydrochloride monohydrate," Anesthetics, local",R02AD02,RESPIRATORY SYSTEM,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0193,-5.0417,-4.5708,-4.5508,-3.7572,-3.2285,1.6049,1.7733,1.9186,1.9956,2.7354,D08127_R02AD02,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1441,D08127, Lidocaine hydrochloride monohydrate, Local anesthetics,S01HA07,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0335,-5.0229,-4.5719,-4.5704,-3.7964,-3.2272,1.6273,1.767,1.9254,1.9604,2.7034,D08127_S01HA07,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1442,D08127, Lidocaine hydrochloride monohydrate, Analgesics and anesthetics,S02DA01,SENSORY ORGANS,c1(NC(=O)C[NH+](CC)CC)c(cccc1C)C,235.345,1.2396,74.0684,33.54,25,2,2,NNJVILVZKWQKPM-UHFFFAOYSA-O,C14H23N2O+,CC[NH+](CC(=O)Nc1c(C)cccc1C)CC,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)/p+1",-6.0189,-5.007,-4.5745,-4.5689,-3.8446,-3.2193,1.6243,1.7617,1.9289,1.9589,2.779,D08127_S02DA01,000200000040000001000600008000088010000010000000000000800000000002004002002000200006002800001040000000000000000800000002000024000800000040000200002010000280000200a0004004002800400a0000000000000000000000000000400000000100000000060104200100000000000002400000,0500000000f001,0100400204000000000080000a0000000000000000000000000000000000000000000200c02a00,00000000000021000040324c88601a025cb278af1f,0,6,33,1,0,6,40,40,-12.258,-4.245,0,0.0,0.002562715,+,0.1942,-,0.1942,https://www.genome.jp/dbget-bin/www_bget?dr:D08127
1443,D08215, Mexiletine (INN)," Antiarrhythmics, class Ib",C01BB02,CARDIOVASCULAR SYSTEM,c1(c(cccc1C)C)OC[C@@H](C)[NH3+],180.267,1.3126,56.4451,36.87,19,1,1,VLPIATFUUWWMKC-SNVBAGLBSA-O,C11H18NO+,CC(COc1c(C)cccc1C)[NH3+],"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/p+1/t10-/m1/s1",-5.3766,-5.3732,-5.3642,-4.1273,-1.3814,-1.0696,1.5457,1.5462,1.5589,1.7485,1.7565,D08215_C01BB02,0000000000000000000006000003000000000000000000000000008000000000100040000000000300000408000000000000020000000000008002220000000008200800011000010000000002008000008000400000000040080000000000000000000000000002000000020110000002060100080100200800000000000004,0100000050f001,0100c2000400000000000000000000000000000000000000000000000000000000000200c02204,0000000000000100000000408058056000d0f0bd1f,0,6,25,0,0,3,31,31,-12.259,-4.343,1,1.0,1.7963299999999998e-05,+,0.2814,-,0.2814,https://www.genome.jp/dbget-bin/www_bget?dr:D08215
1444,D00639, Mexiletine hydrochloride (JP17/USP)," Antiarrhythmics, class Ib",C01BB02,CARDIOVASCULAR SYSTEM,c1(c(cccc1C)C)OC[C@@H](C)[NH3+],180.267,1.3126,56.4451,36.87,19,1,1,VLPIATFUUWWMKC-SNVBAGLBSA-O,C11H18NO+,CC(COc1c(C)cccc1C)[NH3+],"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/p+1/t10-/m1/s1",-5.3765,-5.3742,-5.3615,-4.1294,-1.3893,-1.0836,1.5446,1.5459,1.5676,1.7519999999999998,1.7521,D00639_C01BB02,0000000000000000000006000003000000000000000000000000008000000000100040000000000300000408000000000000020000000000008002220000000008200800011000010000000002008000008000400000000040080000000000000000000000000002000000020110000002060100080100200800000000000004,0100000050f001,0100c2000400000000000000000000000000000000000000000000000000000000000200c02204,0000000000000100000000408058056000d0f0bd1f,0,6,25,0,0,3,31,31,-12.259,-4.342,1,,1.79684e-05,+,0.2814,-,0.2814,https://www.genome.jp/dbget-bin/www_bget?dr:D00639
1445,D06172, Tocainide (USAN/INN)," Antiarrhythmics, class Ib",C01BB03,CARDIOVASCULAR SYSTEM,c1(NC(=O)[C@H](C)[NH3+])c(cccc1C)C,193.265,0.9453,59.4588,56.74,19,2,2,BUJAGSGYPOAWEI-VIFPVBQESA-O,C11H17N2O+,CC(C(=O)Nc1c(C)cccc1C)[NH3+],"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)/p+1/t9-/m0/s1",-5.3928,-5.3626,-5.3558,-4.5974,-3.7842,-3.2527,1.7527,1.7978,1.7991,1.9217,2.6912,D06172_C01BB03,000200000000000001000600008000088010000010000000000000800000000010004000002000200006003800001040000000000000000800000002000024000a00000040000200000010000080000000b0004004002800400a0000000000000000000000000000400000000100002000060100200110000000000002400000,0500000000f001,0100c00004000000000080000a0000000000000000000000000000000000000000000200c02a04,0000000000002100004000480020100054b070aa1f,0,6,24,1,0,3,31,31,-12.405,-4.603,1,-1.0,7.255160000000001e-06,-,0.149,-,0.149,https://www.genome.jp/dbget-bin/www_bget?dr:D06172
1446,D02088, Tocainide hydrochloride (USP)," Antiarrhythmics, class Ib",C01BB03,CARDIOVASCULAR SYSTEM,c1(NC(=O)[C@H](C)[NH3+])c(cccc1C)C,193.265,0.9453,59.4588,56.74,19,2,2,BUJAGSGYPOAWEI-VIFPVBQESA-O,C11H17N2O+,CC(C(=O)Nc1c(C)cccc1C)[NH3+],"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)/p+1/t9-/m0/s1",-5.3929,-5.3617,-5.3592,-4.603,-3.785,-3.2542,1.7530000000000001,1.7958,1.7997,1.9203,2.6701,D02088_C01BB03,000200000000000001000600008000088010000010000000000000800000000010004000002000200006003800001040000000000000000800000002000024000a00000040000200000010000080000000b0004004002800400a0000000000000000000000000000400000000100002000060100200110000000000002400000,0500000000f001,0100c00004000000000080000a0000000000000000000000000000000000000000000200c02a04,0000000000002100004000480020100054b070aa1f,0,6,24,1,0,3,31,31,-12.404000000000002,-4.604,1,0.0,7.26265e-06,-,0.149,-,0.149,https://www.genome.jp/dbget-bin/www_bget?dr:D02088
1447,D02969, Aprindine (USAN/INN)," Antiarrhythmics, class Ib",C01BB04,CARDIOVASCULAR SYSTEM,N(CCC[NH+](CC)CC)(c1ccccc1)C1Cc2c(C1)cccc2,323.495,2.9752,105.791,7.68,32,1,1,NZLBHDRPUJLHCE-UHFFFAOYSA-O,C22H31N2+,CC[NH+](CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3/p+1",-6.0411,-4.5669,-4.5609,-4.5533,-3.011,-2.9205,1.4353,1.4404,1.5908,1.5932,1.5994,D02969_C01BB04,0026000000000000120006000080000480000000000000000000008000000000110040810040002000002018000110600102000000000008000000020002040000000200400002000010200002000000008000400400300860090800800800000000000000000000000000002000002000060100020110000004000102400000,0100000000f021,030040020500000000000000000000000000000000000000000000000000000000004200c02200,00000000000001000080328298492a8251a25dad17,0,12,45,0,0,8,55,57,-11.34,-3.819,0,2.0,0.09308257699999999,+,1.0154,-,1.0154,https://www.genome.jp/dbget-bin/www_bget?dr:D02969
1448,D01326, Aprindine hydrochloride (JP17/USAN)," Antiarrhythmics, class Ib",C01BB04,CARDIOVASCULAR SYSTEM,N(CCC[NH+](CC)CC)(c1ccccc1)C1Cc2c(C1)cccc2,323.495,2.9752,105.791,7.68,32,1,1,NZLBHDRPUJLHCE-UHFFFAOYSA-O,C22H31N2+,CC[NH+](CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3/p+1",-6.0434,-4.5665,-4.5436,-4.5294,-3.0011,-2.8985,1.4244,1.4419,1.58,1.5816,1.5934,D01326_C01BB04,0026000000000000120006000080000480000000000000000000008000000000110040810040002000002018000110600102000000000008000000020002040000000200400002000010200002000000008000400400300860090800800800000000000000000000000000002000002000060100020110000004000102400000,0100000000f021,030040020500000000000000000000000000000000000000000000000000000000004200c02200,00000000000001000080328298492a8251a25dad17,0,12,45,0,0,8,55,57,-11.339,-3.818,0,,0.09307532,+,1.0154,-,1.0154,https://www.genome.jp/dbget-bin/www_bget?dr:D01326
1449,D08435, Propafenone (INN)," Antiarrhythmics, class Ic",C01BC03,CARDIOVASCULAR SYSTEM,c1(c(C(=O)CCc2ccccc2)cccc1)OC[C@H](C[NH2+]CCC)O,342.452,2.2152,101.679,63.14,31,2,3,JWHAUXFOSRPERK-SFHVURJKSA-O,C21H28NO3+,CCC[NH2+]CC(COc1ccccc1C(=O)CCc1ccccc1)O,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/p+1/t18-/m0/s1",-5.7145,-5.6857,-4.381,-4.3431,-2.7933,-2.0455,1.5631,1.5651,1.5753,1.735,1.7712,D08435_C01BC03,402600000000008002400600000300000000800000080000000000c001080000140440088000000700020218000100000102020008008000008000220000201008200a000100280100002000028080046090004000003008400808001008000000020000000000020000028280100000000601000a0110200808000100000004,1500002c50f001,032842010400010000000000000000004001000000000000000000000000000000000240c02a05,000000000000210080002a47895827e00dc6e7f71f,0,12,41,1,0,11,53,54,-12.298,-3.877,1,2.0,0.014381586000000002,-,0.55,-,0.55,https://www.genome.jp/dbget-bin/www_bget?dr:D08435
1450,D00640, Propafenone hydrochloride (JP17/USP)," Antiarrhythmics, class Ic",C01BC03,CARDIOVASCULAR SYSTEM,c1(c(C(=O)CCc2ccccc2)cccc1)OC[C@H](C[NH2+]CCC)O,342.452,2.2152,101.679,63.14,31,2,3,JWHAUXFOSRPERK-SFHVURJKSA-O,C21H28NO3+,CCC[NH2+]CC(COc1ccccc1C(=O)CCc1ccccc1)O,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/p+1/t18-/m0/s1",-5.6847,-5.6522,-4.3932,-4.3722,-2.7871,-2.0469999999999997,1.5727,1.5842,1.6011,1.7651,2.3752,D00640_C01BC03,402600000000008002400600000300000000800000080000000000c001080000140440088000000700020218000100000102020008008000008000220000201008200a000100280100002000028080046090004000003008400808001008000000020000000000020000028280100000000601000a0110200808000100000004,1500002c50f001,032842010400010000000000000000004001000000000000000000000000000000000240c02a05,000000000000210080002a47895827e00dc6e7f71f,0,12,41,1,0,11,53,54,-12.299000000000001,-3.8760000000000003,1,1.0,0.014382599999999999,-,0.55,-,0.55,https://www.genome.jp/dbget-bin/www_bget?dr:D00640
1451,D07962, Flecainide (INN)," Antiarrhythmics, class Ic",C01BC04,CARDIOVASCULAR SYSTEM,C1C[NH2+][C@@H](CC1)CNC(=O)c1c(ccc(c1)OCC(F)(F)F)OCC(F)(F)F,415.351,4.3746,92.0186,64.17,25,2,4,DJBNUMBKLMJRSA-NSHDSACASA-O,C17H21F6N2O3+,O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCC[NH2+]1,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/p+1/t11-/m0/s1",-5.707999999999999,-5.6848,-4.3964,-4.3395,-4.1454,-3.8164,1.8045,2.0797,2.6425,2.6834,2.6957,D07962_C01BC04,00060002000004a401000600000300080000009000080800000000c0000000001c80540201000000108606384000000001020200002408000080000200000000082008200144000180200000028880002080015000002008c0081100000000000814002300000002000102000010000000060104080110200838004500008004,0500000050f001,0201420104000000000080000a0000004001000000000000000000000000000000000640e02a04,000000000002210000400a0f8bf631e125e3e77f1f,6,6,43,1,0,10,49,50,-12.370999999999999,-4.046,1,-2.0,0.027956039,-,1.7316,-,1.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D07962
1452,D00638, Flecainide acetate (JP17/USP)," Antiarrhythmics, class Ic",C01BC04,CARDIOVASCULAR SYSTEM,C1C[NH2+][C@@H](CC1)CNC(=O)c1c(ccc(c1)OCC(F)(F)F)OCC(F)(F)F,415.351,4.3746,92.0186,64.17,25,2,4,DJBNUMBKLMJRSA-NSHDSACASA-O,C17H21F6N2O3+,O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCC[NH2+]1,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/p+1/t11-/m0/s1",-5.7347,-5.6581,-4.4018,-4.3743,-4.1276,-3.8284,1.7894,2.6193,2.6705,2.6869,3.0467,D00638_C01BC04,00060002000004a401000600000300080000009000080800000000c0000000001c80540201000000108606384000000001020200002408000080000200000000082008200144000180200000028880002080015000002008c0081100000000000814002300000002000102000010000000060104080110200838004500008004,0500000050f001,0201420104000000000080000a0000004001000000000000000000000000000000000640e02a04,000000000002210000400a0f8bf631e125e3e77f1f,6,6,43,1,0,10,49,50,-11.492,-4.159,1,,0.030287754,-,1.7316,-,1.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D00638
1453,D08020, Lorcainide (INN)," Antiarrhythmics, class Ic",C01BC07,CARDIOVASCULAR SYSTEM,c1cc(ccc1Cl)N(C(=O)Cc1ccccc1)[C@@H]1CC[N@@H+](CC1)C(C)C,371.92400000000004,4.9406,114.462,24.75,30,1,2,XHOJAWVAWFHGHL-UHFFFAOYSA-O,C22H28ClN2O+,CC([NH+]1CCC(CC1)N(c1ccc(cc1)Cl)C(=O)Cc1ccccc1)C,"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3/p+1",-6.0182,-4.5832,-4.5794,-4.4544,-3.8016,-2.7758,1.5746,1.5859,1.5976,1.7027,1.7075,D08020_C01BC07,00260202002000001300060000800004800000100000080000000080002000001900508100200020000728180000106001020000000000080000000200000400000000004000024000001000068000030098015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102c00000,0500000000f001,030040020400000000008000120000000000000000040000000000000000000000000600c02a05,00000000000001000086720cca6c388379235daf1f,0,12,43,1,0,6,54,56,-11.673,-3.886,0,1.0,0.094862603,+,0.8394,-,0.8394,https://www.genome.jp/dbget-bin/www_bget?dr:D08020
1454,D04778, Lorcainide hydrochloride (USAN)," Antiarrhythmics, class Ic",C01BC07,CARDIOVASCULAR SYSTEM,c1cccc(c1)CC(=O)N([C@@H]1CC[N@@H+](CC1)C(C)C)c1ccc(cc1)Cl,371.92400000000004,4.9406,114.462,24.75,30,1,2,XHOJAWVAWFHGHL-UHFFFAOYSA-O,C22H28ClN2O+,CC([NH+]1CCC(CC1)N(c1ccc(cc1)Cl)C(=O)Cc1ccccc1)C,"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3/p+1",-6.0357,-4.575,-4.5548,-4.4778,-3.8142,-2.7394,1.5490000000000002,1.556,1.577,1.5830000000000002,1.702,D04778_C01BC07,00260202002000001300060000800004800000100000080000000080002000001900508100200020000728180000106001020000000000080000000200000400000000004000024000001000068000030098015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102c00000,0500000000f001,030040020400000000008000120000000000000000040000000000000000000000000600c02a05,00000000000001000086720cca6c388379235daf1f,0,12,43,1,0,6,54,56,-11.665999999999999,-3.887,0,0.0,0.096725561,+,0.8394,-,0.8394,https://www.genome.jp/dbget-bin/www_bget?dr:D04778
1455,D07894, Encainide (INN)," Antiarrhythmics, class Ic",C01BC08,CARDIOVASCULAR SYSTEM,c1(c(CC[C@@H]2CCCC[N@@H+]2C)cccc1)NC(=O)c1ccc(cc1)OC,353.478,4.5895,111.42299999999999,42.77,32,2,3,PJWPNDMDCLXCOM-IBGZPJMESA-O,C22H29N2O2+,COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCC[NH+]1C,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1",-5.9427,-4.6238,-4.6094,-4.6059,-3.6376,-3.095,1.5862,1.5930000000000002,1.6255,1.6985,1.9485,D07894_C01BC08,00260020800006800b000600028308008010009010002200000000800000000014005400002001201086021800011040010202000820000800000002008004000800040041000201000030000288000000c0015024003808c00808000008000000100022000004034000000000100000000601000b011020080a000102400000,0500000050f001,0200420204000000000080000a0000000001000000000000000000000000000000000640c02a04,00000000000001000004321e8a683de355e1fdff1f,0,12,44,1,0,7,55,57,-11.28,-3.915,2,-1.0,0.13064684,-,1.084,-,1.084,https://www.genome.jp/dbget-bin/www_bget?dr:D07894
1456,D03991, Encainide hydrochloride (USAN)," Antiarrhythmics, class Ic",C01BC08,CARDIOVASCULAR SYSTEM,c1(c(CC[C@@H]2CCCC[N@@H+]2C)cccc1)NC(=O)c1ccc(cc1)OC,353.478,4.5895,111.42299999999999,42.77,32,2,3,PJWPNDMDCLXCOM-IBGZPJMESA-O,C22H29N2O2+,COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCC[NH+]1C,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1",-6.0069,-4.6112,-4.5963,-4.5181,-3.6247,-3.1156,1.4668,1.5857,1.5903,1.5977,1.9423,D03991_C01BC08,00260020800006800b000600028308008010009010002200000000800000000014005400002001201086021800011040010202000820000800000002008004000800040041000201000030000288000000c0015024003808c00808000008000000100022000004034000000000100000000601000b011020080a000102400000,0500000050f001,0200420204000000000080000a0000000001000000000000000000000000000000000640c02a04,00000000000001000004321e8a683de355e1fdff1f,0,12,44,1,0,7,55,57,-11.274000000000001,-3.9139999999999997,2,,0.130492434,-,1.084,-,1.084,https://www.genome.jp/dbget-bin/www_bget?dr:D03991
1457,D02910, Amiodarone (USAN/INN)," Antiarrhythmics, class III",C01BD01,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c(o2)CCCC)C(=O)c1cc(c(c(c1)I)OCC[NH+](CC)CC)I,646.32,5.5191,145.59,43.88,32,1,3,IYIKLHRQXLHMJQ-UHFFFAOYSA-O,C25H30I2NO3+,CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC[NH+](CC)CC)cccc2,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3/p+1",-6.0208,-4.5693,-4.5679,-4.5299,-3.7497,-1.5116,1.4262,1.4417,1.5892,1.5918,1.5956,D02910_C01BD01,000600400000208002800601802200021500844a14005204014200a01200000814004800004000524a020608400541000110020000011000000001022040001018000810213008418020200243848840008c00402000300c400808000049020009022041000405020a81000081120000020601040b0138a00808204100304004,1500000050f001,03004202040001000000000000000000400100000020a000000000000000000000004640c03200,0000000400000101000076c1985d2f6229d3fff71f,0,16,46,1,0,11,61,63,-10.823,-4.202,0,1.0,0.215508416,+,0.8337,-,0.8337,https://www.genome.jp/dbget-bin/www_bget?dr:D02910
1458,D00636, Amiodarone hydrochloride (JP17/USAN)," Antiarrhythmics, class III",C01BD01,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c(o2)CCCC)C(=O)c1cc(c(c(c1)I)OCC[NH+](CC)CC)I,646.32,5.5191,145.59,43.88,32,1,3,IYIKLHRQXLHMJQ-UHFFFAOYSA-O,C25H30I2NO3+,CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC[NH+](CC)CC)cccc2,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3/p+1",-6.0196,-4.5733,-4.5692,-4.5687,-3.7625,-1.5274,1.4391,1.4544,1.5813,1.5829,1.5943,D00636_C01BD01,000600400000208002800601802200021500844a14005204014200a01200000814004800004000524a020608400541000110020000011000000001022040001018000810213008418020200243848840008c00402000300c400808000049020009022041000405020a81000081120000020601040b0138a00808204100304004,1500000050f001,03004202040001000000000000000000400100000020a000000000000000000000004640c03200,0000000400000101000076c1985d2f6229d3fff71f,0,16,46,1,0,11,61,63,-10.821,-4.203,0,0.0,0.215518147,+,0.8337,-,0.8337,https://www.genome.jp/dbget-bin/www_bget?dr:D00636
1459,D00645, Bretylium tosylate (USP)," Antiarrhythmics, class III",C01BD02,CARDIOVASCULAR SYSTEM,c1(c(cccc1)Br)C[N+](CC)(C)C,243.16299999999998,3.0454,60.7104,0.0,17,0,0,AAQOQKQBGPPFNS-UHFFFAOYSA-N,C11H17BrN+,CC[N+](Cc1ccccc1Br)(C)C,"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1",-6.0024,-4.8151,-4.7912,-4.7704,-0.8823,-0.6311,1.4434,1.4458,1.4708,1.8468,1.8503,D00645_C01BD02,000200080800042000000600000100000000008000000200000000c000000000000040000000000000800008000000000000000000000000000000020000000000000000000400400000000012080000008000400000200040080000000000000010000200000000000000000000000000060100000100000080000000440000,0100000000f001,010040040400000000000000000000000000000000100000000000000000000000000200c02200,00000020002001000002701008840e02209238a517,0,6,24,0,0,3,30,30,-13.329,-4.093,0,0.0,0.00413893,+,0.2121,-,0.2121,https://www.genome.jp/dbget-bin/www_bget?dr:D00645
1460,D07428, Bunaftine (INN)," Antiarrhythmics, class III",C01BD03,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(ccc2)C(=O)N(CC[NH+](CC)CC)CCCC,327.48400000000004,3.0068,104.455,24.75,33,1,2,WWGZXRYELYWJBD-UHFFFAOYSA-O,C21H31N2O+,CCCCN(C(=O)c1cccc2c1cccc2)CC[NH+](CC)CC,"InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3/p+1",-6.0261,-4.6321,-4.585,-4.564,-3.622,-3.4774,1.5699,1.5979,1.6112,1.618,2.3367,D07428_C01BD03,00020000000004a001000600000100080000009000000000000000c0000000001c00400201000000088606380000000001020000000000000000000200000000000000000004000000200000028800000080004000002000c0080100000000000810002200000000000000000000000000060104000110000038000000000000,0500000000f001,030040020400000000008000120000000001000000000000000000000000000000004240c02200,00000000000001000040320c98693e8201325daf1f,0,11,44,1,0,10,55,56,-11.020999999999999,-4.178,0,2.0,0.001631272,+,0.4499,-,0.4499,https://www.genome.jp/dbget-bin/www_bget?dr:D07428
1461,D00647, Dofetilide (JAN/USAN/INN)," Antiarrhythmics, class III",C01BD04,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CC[N@H+](CCOc1ccc(cc1)NS(=O)(=O)C)C)NS(=O)(=O)C,442.57300000000004,2.8734,117.34200000000001,122.77,35,3,7,IXTMWRCNAAVVAI-UHFFFAOYSA-O,C19H28N3O5S2+,C[NH+](CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3/p+1",-8.6568,-8.6533,-8.6166,-8.6054,-8.5394,-8.4904,2.7532,2.7698,2.7768,2.7921,3.5439,D00647_C01BD04,600601000000000002000600000200040d000000000004000000008080000000100040810000003200082418000000400042020000000000000000020000001008000a004110088101000000020480000080004004202008400808008000000008000000000000020000000080100000020631400a0110200808000002200004,0100000050f001,020042020400000000000000000000000000000000000000000024000000000000000200c02a04,000000800100451a1401b270a8d23deadf7adffd1f,0,12,42,4,0,11,57,58,-11.214,-4.159,1,,0.02821324,+,1.7208,-,1.7208,https://www.genome.jp/dbget-bin/www_bget?dr:D00647
1462,D08060, Ibutilide (INN)," Antiarrhythmics, class III",C01BD05,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)NS(=O)(=O)C)[C@@H](CCC[N@@H+](CC)CCCCCCC)O,385.584,3.9007,112.677,79.22,41,3,4,ALOBUEHUHMBRLE-HXUWFJFHSA-O,C20H37N2O3S+,CCCCCCC[NH+](CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3/p+1/t20-/m1/s1",-8.6598,-8.6009,-8.5941,-6.0305,-4.556,-4.5537,1.5803,1.8032,2.4085,2.7632,2.8222,D08060_C01BD05,602e01000000024002000600000000000c000010000000000000008080000000100050000000002130080018000100400142000000204000000000020000000008000a004000088001002000020400000080014004203008c0080800000910000000002000000000004000000000100000063940020110000008000102000000,0100002c00f001,032840020400000000000000000000000000000000000000000024000000000000000200c02a04,000000800100451a1401b236a8ca3e8adf36defd1f,0,6,55,2,0,14,63,63,-11.263,-3.784,2,0.0,0.043295767,+,1.2374,-,1.2374,https://www.genome.jp/dbget-bin/www_bget?dr:D08060
1463,D00648, Ibutilide fumarate (USAN)," Antiarrhythmics, class III",C01BD05,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)NS(=O)(=O)C)[C@@H](CCC[N@H+](CCCCCCC)CC)O,385.584,3.9007,112.677,79.22,41,3,4,ALOBUEHUHMBRLE-HXUWFJFHSA-O,C20H37N2O3S+,CCCCCCC[NH+](CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3/p+1/t20-/m1/s1",-8.686,-8.5929,-8.5424,-6.0489,-4.5652,-4.5511,1.5951,1.7517,2.4078,2.7666,2.821,D00648_C01BD05,602e01000000024002000600000000000c000010000000000000008080000000100050000000002130080018000100400142000000204000000000020000000008000a004000088001002000020400000080014004203008c0080800000910000000002000000000004000000000100000063940020110000008000102000000,0100002c00f001,032840020400000000000000000000000000000000000000000024000000000000000200c02a04,000000800100451a1401b236a8ca3e8adf36defd1f,0,6,55,2,0,14,63,63,-11.267000000000001,-3.786,2,,0.04326909,+,1.2374,-,1.2374,https://www.genome.jp/dbget-bin/www_bget?dr:D00648
1464,D06652, Tedisamil (USAN)," Antiarrhythmics, class III",C01BD06,CARDIOVASCULAR SYSTEM,C(C1CC1)[N@H+]1C[C@@H]2C3([C@H](C1)C[N@@H+](C2)CC1CC1)CCCC3,290.487,3.5346,98.1644,8.88,34,2,0,CTIRHWCPXYGDGF-HDICACEKSA-P,C19H34N2++,C1CCC2(C1)C1C[NH+](CC2C[NH+](C1)CC1CC1)CC1CC1,"InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2/p+2/t17-,18+",-6.032,-6.0061,-5.4327,-5.4022,-4.6013,-4.5951,1.6963,1.7064,1.7257,1.942,1.9469,D06652_C01BD06,00220000000002001000040100000000000000100000000000000000000000001000100000000000300000100000000001020000002000000000000000000000000000000000000000000001020000000000015000002000a0010000000000000000002000000000000000000000000000040000000010000004000100000000,0100000000e001,0e0040020400000000000000000000000000000000000000000000000000000000006400c02204,0000200000001100028432861a81a08305234d2515,0,0,59,0,0,4,55,59,-17.031,-6.893,0,0.0,1.39012e-06,+,1.9292,-,1.9292,https://www.genome.jp/dbget-bin/www_bget?dr:D06652
1465,D06653, Tedisamil sesquifumarate (USAN)," Antiarrhythmics, class III",C01BD06,CARDIOVASCULAR SYSTEM,C(C1CC1)[N@@H+]1C[C@H]2C3([C@@H](C1)C[N@H+](C2)CC1CC1)CCCC3,290.487,3.5346,98.1644,8.88,34,2,0,CTIRHWCPXYGDGF-HDICACEKSA-P,C19H34N2++,C1CCC2(C1)C1C[NH+](CC2C[NH+](C1)CC1CC1)CC1CC1,"InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2/p+2/t17-,18+",-6.0333,-6.0083,-5.4265,-5.3756,-4.6018,-4.5931,1.6951,1.6964,1.7244,1.9331,1.9501,D06653_C01BD06,00220000000002001000040100000000000000100000000000000000000000001000100000000000300000100000000001020000002000000000000000000000000000000000000000000001020000000000015000002000a0010000000000000000002000000000000000000000000000040000000010000004000100000000,0100000000e001,0e0040020400000000000000000000000000000000000000000000000000000000006400c02204,0000200000001100028432861a81a08305234d2515,0,0,59,0,0,4,55,59,-17.033,-6.893,0,0.0,1.39124e-06,+,1.9292,-,1.9292,https://www.genome.jp/dbget-bin/www_bget?dr:D06653
1466,D02537, Dronedarone (INN)," Antiarrhythmics, class III",C01BD07,CARDIOVASCULAR SYSTEM,c1(ccc2c(c1)c(c(o2)CCCC)C(=O)c1ccc(cc1)OCCC[NH+](CCCC)CCCC)NS(=O)(=O)C,557.764,6.7857,162.461,98.43,50,2,6,ZQTNQVWKHCQYLQ-UHFFFAOYSA-O,C31H45N2O5S+,CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCC[NH+](CCCC)CCCC)cc(cc2)NS(=O)(=O)C,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3/p+1",-8.6169,-8.5678,-8.5146,-6.0403,-4.57,-4.5303,1.6578,1.7094,2.4013,2.7077,2.7977,D02537_C01BD07,602601400000008002000601802240021c00845a14005204014200a09300000814004800804000614a0a021800054040014a020000009004000001022040200008200a10612008c18100200003848840008c00406420300cc00908000049020009022061000405020a81000201120000000631c00b0118a00808200102004004,1500000050f001,03004202040001000000000000000000400100000000a000000024000000000000004640c03a00,000000800100451b1401b6b3b9d33feadffbffff1f,0,16,67,3,0,18,84,86,-10.732000000000001,-3.9739999999999998,0,0.0,0.94909358,+,2.5381,-,2.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D02537
1467,D03914, Dronedarone hydrochloride (USAN)," Antiarrhythmics, class III",C01BD07,CARDIOVASCULAR SYSTEM,c1(ccc2c(c1)c(c(o2)CCCC)C(=O)c1ccc(cc1)OCCC[NH+](CCCC)CCCC)NS(=O)(=O)C,557.764,6.7857,162.461,98.43,50,2,6,ZQTNQVWKHCQYLQ-UHFFFAOYSA-O,C31H45N2O5S+,CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCC[NH+](CCCC)CCCC)cc(cc2)NS(=O)(=O)C,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3/p+1",-8.7809,-8.577,-8.4966,-6.0368,-4.5745,-4.5638,1.588,1.7477,2.4344,2.7316,2.8369,D03914_C01BD07,602601400000008002000601802240021c00845a14005204014200a09300000814004800804000614a0a021800054040014a020000009004000001022040200008200a10612008c18100200003848840008c00406420300cc00908000049020009022061000405020a81000201120000000631c00b0118a00808200102004004,1500000050f001,03004202040001000000000000000000400100000000a000000024000000000000004640c03a00,000000800100451b1401b6b3b9d33feadffbffff1f,0,16,67,3,0,18,84,86,-10.732000000000001,-3.9739999999999998,0,-1.0,0.94909358,+,2.5381,-,2.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D03914
1468,D05077, Moricizine (USAN)," Other antiarrhythmics, class I and III",C01BG01,CARDIOVASCULAR SYSTEM,c12N(c3c(Sc1ccc(c2)NC(=O)OCC)cccc3)C(=O)CC[NH+]1CCOCC1,428.525,4.3967,124.325,97.61,33,2,6,FUBVWMNBEHXPSU-UHFFFAOYSA-O,C22H26N3O4S+,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1c(S2)cccc1,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/p+1",-6.0397,-5.2101,-4.5722,-4.5451,-4.5284,-4.4939,1.5665,1.6667,1.8926,1.9367,2.0733,D05077_C01BG01,2002010000a000001100068100828000810080081004200202011000005408001900080002208032100e0018000010e0000240021208200800008020009006140a01180048100a200000100002800008109000600440280060090000042200000800000010080000002000008080042800061088000012000026c00002400000,0500000030f101,038050020400000000008000120000000040000100000000000000000000000000004600c02a01,00004000080001050084b34e9b73b2a7ddab4fff1f,0,12,45,2,0,8,56,59,-10.446,-4.291,0,2.0,0.001342584,-,1.3291,-,1.3291,https://www.genome.jp/dbget-bin/www_bget?dr:D05077
1469,D02087, Moricizine hydrochloride (USP)," Other antiarrhythmics, class I and III",C01BG01,CARDIOVASCULAR SYSTEM,c12N(c3c(Sc1ccc(c2)NC(=O)OCC)cccc3)C(=O)CC[NH+]1CCOCC1,428.525,4.3967,124.325,97.61,33,2,6,FUBVWMNBEHXPSU-UHFFFAOYSA-O,C22H26N3O4S+,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1c(S2)cccc1,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/p+1",-6.0433,-5.1446,-4.5781,-4.5424,-4.5387,-4.5014,1.669,1.7559,1.8928,1.9355,2.0501,D02087_C01BG01,2002010000a000001100068100828000810080081004200202011000005408001900080002208032100e0018000010e0000240021208200800008020009006140a01180048100a200000100002800008109000600440280060090000042200000800000010080000002000008080042800061088000012000026c00002400000,0500000030f101,038050020400000000008000120000000040000100000000000000000000000000004600c02a01,00004000080001050084b34e9b73b2a7ddab4fff1f,0,12,45,2,0,8,56,59,-10.448,-4.293,0,,0.001344871,-,1.3291,-,1.3291,https://www.genome.jp/dbget-bin/www_bget?dr:D02087
1470,D03492, Cifenline (USAN)," Other antiarrhythmics, class I and III",C01BG07,CARDIOVASCULAR SYSTEM,c1cccc(c1)C1(C[C@H]1C1=[NH]CCN1)c1ccccc1,263.357,2.9729,90.2754,35.88,21,2,1,KKKKULOYUCNZOH-INIZCTEOSA-N,C18H19N2,c1ccc(cc1)C1(CC1C1=[NH]CCN1)c1ccccc1,"InChI=1S/C18H19N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16,19-20H,11-13H2/t16-/m0/s1",-6.0787,-6.0661,-5.0792,-5.0705,-3.8154,-3.8080000000000003,2.148,2.1495,2.2279,2.2279,2.2471,D03492_C01BG07,00060000000000000a800600900000080000005000000040010000a0800000001008500201000000000100380101200001020200000000000000000200080000000014000000000008002001020010000080014010003118c30808200008100001200021000000100000000000000000000e0100020130000002200102000000,0000000000b001,0e0040010000000000008000000000000000000000000000000000000000000000000600402804,00002000200420200270068688c0e0810423652917,0,12,29,1,0,3,39,42,-12.619000000000002,-4.863,1,0.0,0.009892869,+,4.7315,-,4.7315,https://www.genome.jp/dbget-bin/www_bget?dr:D03492
1471,D01455, Cifenline succinate (USAN)," Other antiarrhythmics, class I and III",C01BG07,CARDIOVASCULAR SYSTEM,c1cccc(c1)C1(C[C@H]1C1=[NH]CCN1)c1ccccc1,263.357,2.9729,90.2754,35.88,21,2,1,KKKKULOYUCNZOH-INIZCTEOSA-N,C18H19N2,c1ccc(cc1)C1(CC1C1=[NH]CCN1)c1ccccc1,"InChI=1S/C18H19N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16,19-20H,11-13H2/t16-/m0/s1",-6.0729,-6.0602,-5.0784,-5.0741,-3.8166,-3.8086,2.1498,2.1507,2.2272,2.2285,2.247,D01455_C01BG07,00060000000000000a800600900000080000005000000040010000a0800000001008500201000000000100380101200001020200000000000000000200080000000014000000000008002001020010000080014010003118c30808200008100001200021000000100000000000000000000e0100020130000002200102000000,0000000000b001,0e0040010000000000008000000000000000000000000000000000000000000000000600402804,00002000200420200270068688c0e0810423652917,0,12,29,1,0,3,39,42,-12.620999999999999,-4.861000000000001,1,,0.009896938000000001,+,4.7315,-,4.7315,https://www.genome.jp/dbget-bin/www_bget?dr:D01455
1472,D06665, Vernakalant hydrochloride (USAN)," Other antiarrhythmics, class I and III",C01BG11,CARDIOVASCULAR SYSTEM,c1(c(cc(cc1)CCO[C@H]1[C@@H](CCCC1)[N@@H+]1C[C@@H](CC1)O)OC)OC,350.472,2.7928,103.06200000000001,52.36,36,2,4,VBHQKCBVWWUUKN-KZNAEPCWSA-O,C20H32NO4+,COc1cc(CCOC2CCCCC2[NH+]2CCC(C2)O)ccc1OC,"InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/p+1/t16-,17-,18-/m1/s1",-6.051,-4.5919,-4.5383,-4.49,-2.0372,-1.9272,1.5289,1.5621,1.5717,1.5729,2.0219,D06665_C01BG11,00260000000000000a000600000200000100001000001200000000800104001010005000800000131000001820000100010202000020c80600000002000080180890080009102c0100008020024000000080014000002008c008080000000000400000200000040210000000c110080000070180080110200800004340000000,0100002c70f001,02a842020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000003120800436d6895021e31dcffffd1f,0,6,53,0,0,7,57,59,-11.273,-3.759,4,1.0,0.025415324,+,1.213,-,1.213,https://www.genome.jp/dbget-bin/www_bget?dr:D06665
1473,D07931, Etilefrine (INN), Adrenergic and dopaminergic agents,C01CA01,CARDIOVASCULAR SYSTEM,c1(cccc(c1)[C@H](C[NH2+]CC)O)O,182.24,0.0089,53.0732,57.07,18,3,2,SQVIAVUSQAWMKL-JTQLQIEISA-O,C10H16NO2+,CC[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3/p+1/t10-/m0/s1",-5.7032,-5.6803,-4.4084,-4.3446,-2.8982,-2.1945,1.5628,1.5714,1.5805,1.7762,1.9847,D07931_C01CA01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a4488000b400c46c0f51f,0,6,23,0,0,4,29,29,-12.265999999999998,-4.0,1,1.0,1.49669e-05,-,0.2019,-,0.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D07931
1474,D01573, Etilefrine hydrochloride (JP17), Adrenergic and dopaminergic agents,C01CA01,CARDIOVASCULAR SYSTEM,c1(cccc(c1)[C@H](C[NH2+]CC)O)O,182.24,0.0089,53.0732,57.07,18,3,2,SQVIAVUSQAWMKL-JTQLQIEISA-O,C10H16NO2+,CC[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3/p+1/t10-/m0/s1",-5.6973,-5.6849,-4.4061,-4.3339,-2.9015,-2.1904,1.5619999999999998,1.5664,1.5782,1.7763,1.9815,D01573_C01CA01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a4488000b400c46c0f51f,0,6,23,0,0,4,29,29,-12.27,-4.0,1,-1.0,1.49622e-05,-,0.2019,-,0.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D01573
1475,D08090, Isoprenaline (INN), Adrenergic and dopaminergic agents,C01CA02,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7051,-5.6817,-4.3732,-4.3389999999999995,-2.9035,-2.1984,1.5661,1.5672,1.5902,1.7769,1.9807,D08090_C01CA02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95763e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D08090
1476,D08090, Isoprenaline (INN), Non-selective beta-adrenoreceptor agonists,R03AB02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7057,-5.6735,-4.383,-4.338,-2.8963,-2.2146,1.5709,1.5741,1.5879,1.7807,1.9855,D08090_R03AB02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95763e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D08090
1477,D08090, Isoprenaline (INN), Non-selective beta-adrenoreceptor agonists,R03CB01,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7082,-5.676,-4.3846,-4.3361,-2.9,-2.2097,1.5657,1.5688,1.5914,1.7774,1.9857,D08090_R03CB01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95763e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D08090
1478,D01390, Isoproterenol hydrochloride (USP), Adrenergic and dopaminergic agents,C01CA02,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7037,-5.6755,-4.3685,-4.3411,-2.8993,-2.1921,1.5614,1.5615,1.5891,1.7815,1.9856,D01390_C01CA02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95839e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D01390
1479,D01390, Isoproterenol hydrochloride (USP), Non-selective beta-adrenoreceptor agonists,R03AB02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7055,-5.6725,-4.3787,-4.341,-2.9012,-2.2113,1.5623,1.5637,1.5922,1.7801,1.9904,D01390_R03AB02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95839e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D01390
1480,D01390, Isoproterenol hydrochloride (USP), Non-selective beta-adrenoreceptor agonists,R03CB01,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7003,-5.6731,-4.3745,-4.3401,-2.8966,-2.2001,1.5595,1.561,1.5918,1.7823,1.986,D01390_R03CB01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.844000000000001,-3.927,1,1.0,1.95839e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D01390
1481,D02066, Isoproterenol sulfate (USP), Adrenergic and dopaminergic agents,C01CA02,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7009,-5.6764,-4.3792,-4.3389,-2.8983,-2.2023,1.5624,1.5654,1.5919999999999999,1.7806,1.9826,D02066_C01CA02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.843,-3.926,1,0.0,1.95819e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02066
1482,D02066, Isoproterenol sulfate (USP), Non-selective beta-adrenoreceptor agonists,R03AB02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.6992,-5.6756,-4.3675,-4.3348,-2.8959,-2.1974,1.5553,1.5586,1.5930000000000002,1.784,1.9823,D02066_R03AB02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.843,-3.926,1,0.0,1.95819e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02066
1483,D02066, Isoproterenol sulfate (USP), Non-selective beta-adrenoreceptor agonists,R03CB01,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7033,-5.6747,-4.3871,-4.332,-2.8927,-2.2104,1.5719,1.5742,1.5830000000000002,1.7791,1.9865,D02066_R03CB01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.843,-3.926,1,0.0,1.95819e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02066
1484,D02150, l-Isoprenaline hydrochloride (JP17), Adrenergic and dopaminergic agents,C01CA02,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7008,-5.6752,-4.378,-4.3423,-2.8985,-2.2024,1.5621,1.5627,1.5925,1.7801,1.9856,D02150_C01CA02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.838,-3.925,1,,1.95825e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02150
1485,D02150, l-Isoprenaline hydrochloride (JP17), Non-selective beta-adrenoreceptor agonists,R03AB02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.6961,-5.6781,-4.3741,-4.3356,-2.8983,-2.2036,1.5584,1.5602,1.5919,1.7854,1.9806,D02150_R03AB02,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.838,-3.925,1,,1.95825e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02150
1486,D02150, l-Isoprenaline hydrochloride (JP17), Non-selective beta-adrenoreceptor agonists,R03CB01,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)O)[C@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,JWZZKOKVBUJMES-NSHDSACASA-O,C11H18NO3+,OC(c1ccc(c(c1)O)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m0/s1",-5.7036,-5.6755,-4.3865,-4.3311,-2.8941,-2.2084,1.5715,1.575,1.5830000000000002,1.7792,1.9844,D02150_R03CB01,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000002020000000000000000020000001008800800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a00000000,0100002c06f001,012840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080020a40880009400cc4f2fd1f,0,6,27,0,0,4,33,33,-11.838,-3.925,1,,1.95825e-05,-,0.1893,-,0.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D02150
1487,D00076, Noradrenaline (JP17), Adrenergic and dopaminergic agents,C01CA03,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH3+])O,170.18599999999998,-0.6269,45.3879,88.33,15,4,3,SFLSHLFXELFNJZ-QMMMGPOBSA-O,C8H12NO3+,[NH3+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1",-5.3917,-5.3756,-5.34,-4.1308,-2.8898,-2.1034,1.588,1.7409,1.7448,1.7593,1.9880000000000002,D00076_C01CA03,0004000000000040020006000000000400000000000052000000008000000000100040810000000220000018000000000002020000000000000000020000000008800800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c06f001,0028c0000400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000240880001400cc4e2751f,0,6,18,0,0,2,24,24,-11.877,-4.225,1,,5.83791e-08,-,0.1846,-,0.1846,https://www.genome.jp/dbget-bin/www_bget?dr:D00076
1488,D05206, Norepinephrine bitartrate (USP), Adrenergic and dopaminergic agents,C01CA03,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH3+])O,170.18599999999998,-0.6269,45.3879,88.33,15,4,3,SFLSHLFXELFNJZ-QMMMGPOBSA-O,C8H12NO3+,[NH3+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1",-5.3907,-5.3775,-5.3389999999999995,-4.1329,-2.8879,-2.1044,1.5895,1.7404,1.743,1.7608,1.9891,D05206_C01CA03,0004000000000040020006000000000400000000000052000000008000000000100040810000000220000018000000000002020000000000000000020000000008800800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c06f001,0028c0000400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000240880001400cc4e2751f,0,6,18,0,0,2,24,24,-11.878,-4.227,1,0.0,5.8331499999999995e-08,-,0.1846,-,0.1846,https://www.genome.jp/dbget-bin/www_bget?dr:D05206
1489,D08284, Norepinephrine hydrochoride, Adrenergic and dopaminergic agents,C01CA03,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH3+])O,170.18599999999998,-0.6269,45.3879,88.33,15,4,3,SFLSHLFXELFNJZ-QMMMGPOBSA-O,C8H12NO3+,[NH3+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1",-5.3919,-5.3765,-5.3389999999999995,-4.1308,-2.8889,-2.1036,1.5883,1.7404,1.7458,1.7592,1.9882,D08284_C01CA03,0004000000000040020006000000000400000000000052000000008000000000100040810000000220000018000000000002020000000000000000020000000008800800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c06f001,0028c0000400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000240880001400cc4e2751f,0,6,18,0,0,2,24,24,-11.878,-4.227,1,0.0,5.83725e-08,-,0.1846,-,0.1846,https://www.genome.jp/dbget-bin/www_bget?dr:D08284
1490,D09794, Norepinephrine hydrochloride (JAN), Adrenergic and dopaminergic agents,C01CA03,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)O)O)[C@H](C[NH3+])O,170.18599999999998,-0.6269,45.3879,88.33,15,4,3,SFLSHLFXELFNJZ-QMMMGPOBSA-O,C8H12NO3+,[NH3+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1",-5.3905,-5.38,-5.3326,-4.1303,-2.8859,-2.1759,1.5914,1.7384,1.7473,1.7571,1.9880000000000002,D09794_C01CA03,0004000000000040020006000000000400000000000052000000008000000000100040810000000220000018000000000002020000000000000000020000000008800800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c06f001,0028c0000400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000240880001400cc4e2751f,0,6,18,0,0,2,24,24,-11.878,-4.227,1,0.0,5.840499999999999e-08,-,0.1846,-,0.1846,https://www.genome.jp/dbget-bin/www_bget?dr:D09794
1491,D07870, Dopamine (INN), Adrenergic and dopaminergic agents,C01CA04,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)CC[NH3+],154.186,-0.1178,44.2261,68.1,14,3,2,VYFYYTLLBUKUHU-UHFFFAOYSA-O,C8H12NO2+,[NH3+]CCc1ccc(c(c1)O)O,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1",-5.3785,-5.3751,-5.3585,-4.1528,-1.6147,-0.9718,1.5502,1.5568,1.5581,1.756,1.757,D07870_C01CA04,0004000000000000020006000000000400000000000012000000008000000000100040810000000000000018000000000002020000000000000000020000000008800000000000000000000002000000008000400000000840080800000000000000000000000002000000800000000000060100000100200800004200000000,0100000406f001,0200c0000400000000000000000000000000000000030000000000000000000000000200c02200,0000000000002100800002048840214004c4e4751f,0,6,17,0,0,2,23,23,-11.794,-4.377,0,1.0,1.23183e-07,-,0.2324,-,0.2324,https://www.genome.jp/dbget-bin/www_bget?dr:D07870
1492,D00633, Dopamine hydrochloride (JP17/USP), Adrenergic and dopaminergic agents,C01CA04,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)CC[NH3+],154.186,-0.1178,44.2261,68.1,14,3,2,VYFYYTLLBUKUHU-UHFFFAOYSA-O,C8H12NO2+,[NH3+]CCc1ccc(c(c1)O)O,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1",-5.3785,-5.3745,-5.3595,-4.1541,-1.6146,-0.9637,1.55,1.5569,1.5593,1.7571,1.7574,D00633_C01CA04,0004000000000000020006000000000400000000000012000000008000000000100040810000000000000018000000000002020000000000000000020000000008800000000000000000000002000000008000400000000840080800000000000000000000000002000000800000000000060100000100200800004200000000,0100000406f001,0200c0000400000000000000000000000000000000030000000000000000000000000200c02200,0000000000002100800002048840214004c4e4751f,0,6,17,0,0,2,23,23,-11.790999999999999,-4.377,0,,1.23189e-07,-,0.2324,-,0.2324,https://www.genome.jp/dbget-bin/www_bget?dr:D00633
1493,D08286, Norfenefrine (INN), Adrenergic and dopaminergic agents,C01CA05,CARDIOVASCULAR SYSTEM,c1([C@H](C[NH3+])O)cc(ccc1)O,154.186,-0.3325,43.3649,68.1,14,3,2,LRCXRAABFLIVAI-QMMMGPOBSA-O,C8H12NO2+,[NH3+]CC(c1cccc(c1)O)O,"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2/p+1/t8-/m0/s1",-5.3896,-5.3753,-5.3491,-4.1328,-2.8929,-2.0972,1.5839,1.7438,1.7441,1.7569,1.9869999999999999,D08286_C01CA05,0004000000000040020006000000000400000000000000000000008000000000100040810000000220000018000000000002020000000000000000020000000008000800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c02f001,0028c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000240880001400c44c0751f,0,6,17,0,0,2,23,23,-12.404000000000002,-4.25,1,2.0,1.65824e-07,-,0.192,-,0.192,https://www.genome.jp/dbget-bin/www_bget?dr:D08286
1494,D01405, Norfenefrine hydrochloride (JAN), Adrenergic and dopaminergic agents,C01CA05,CARDIOVASCULAR SYSTEM,c1([C@H](C[NH3+])O)cc(ccc1)O,154.186,-0.3325,43.3649,68.1,14,3,2,LRCXRAABFLIVAI-QMMMGPOBSA-O,C8H12NO2+,[NH3+]CC(c1cccc(c1)O)O,"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2/p+1/t8-/m0/s1",-5.3912,-5.3693,-5.3542,-4.1283,-2.8941,-2.0965,1.5812,1.7425,1.7455,1.7581,1.9846,D01405_C01CA05,0004000000000040020006000000000400000000000000000000008000000000100040810000000220000018000000000002020000000000000000020000000008000800000000000000000002000000008000400000000840080800000100000000000000000002004000800000000000060100000100200800004a00000000,0100002c02f001,0028c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000240880001400c44c0751f,0,6,17,0,0,2,23,23,-12.404000000000002,-4.25,1,-4.0,1.65779e-07,-,0.192,-,0.192,https://www.genome.jp/dbget-bin/www_bget?dr:D01405
1495,D08365, Phenylephrine (INN), Adrenergic and dopaminergic agents,C01CA06,CARDIOVASCULAR SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.702000000000001,-5.681,-4.4351,-4.3513,-2.8966,-2.21,1.5649,1.5796,1.5844,1.7781,1.9833,D08365_C01CA06,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1496,D08365, Phenylephrine (INN)," Sympathomimetics, plain",R01AA04,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7033,-5.6808,-4.4268,-4.3504,-2.8969,-2.2025,1.5623,1.5751,1.5849,1.7795,1.9817,D08365_R01AA04,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1497,D08365, Phenylephrine (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB01,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7033,-5.6846,-4.4223,-4.3508,-2.9006,-2.1917,1.5618,1.5771,1.581,1.777,1.9809,D08365_R01AB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1498,D08365, Phenylephrine (INN), Sympathomimetics,R01BA03,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7049,-5.6796,-4.435,-4.3513,-2.8947,-2.2114,1.5636,1.5793,1.5873,1.7781,1.9842,D08365_R01BA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1499,D08365, Phenylephrine (INN), Sympathomimetics excl. antiglaucoma preparations,S01FB01,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7044,-5.6804,-4.4392,-4.3508,-2.8939999999999997,-2.2156,1.5656,1.5826,1.5873,1.7776,1.9833,D08365_S01FB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1500,D08365, Phenylephrine (INN), Sympathomimetics used as decongestants,S01GA05,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7073,-5.6749,-4.4357,-4.352,-2.8929,-2.2174,1.5656,1.5786,1.5892,1.7795,1.9834,D08365_S01GA05,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.1034e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08365
1501,D00511, Phenylephrine hydrochloride (JP17/USP), Adrenergic and dopaminergic agents,C01CA06,CARDIOVASCULAR SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7074,-5.6776,-4.4422,-4.351,-2.895,-2.2232,1.5673,1.5832,1.5891,1.7769,1.9839,D00511_C01CA06,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1502,D00511, Phenylephrine hydrochloride (JP17/USP)," Sympathomimetics, plain",R01AA04,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7034,-5.68,-4.4328,-4.3509,-2.897,-2.2085,1.5638,1.5775,1.5856,1.7788,1.9831,D00511_R01AA04,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1503,D00511, Phenylephrine hydrochloride (JP17/USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB01,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7005,-5.6814,-4.4333,-4.3517,-2.8974,-2.2132,1.5621,1.5765,1.5884,1.7801,1.9841,D00511_R01AB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1504,D00511, Phenylephrine hydrochloride (JP17/USP), Sympathomimetics,R01BA03,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7053,-5.6799,-4.4338,-4.3512,-2.8983,-2.2089,1.5644,1.5796,1.5856,1.7778,1.9838,D00511_R01BA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1505,D00511, Phenylephrine hydrochloride (JP17/USP), Sympathomimetics excl. antiglaucoma preparations,S01FB01,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7043,-5.6751,-4.4392,-4.3504,-2.8949,-2.2167,1.5659,1.5804,1.5885,1.7795,1.9827,D00511_S01FB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1506,D00511, Phenylephrine hydrochloride (JP17/USP), Sympathomimetics used as decongestants,S01GA05,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7083,-5.6765,-4.4358,-4.3489,-2.8918,-2.2131,1.5654,1.5799,1.5875,1.7801,1.9823,D00511_S01GA05,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.335,-4.1930000000000005,1,1.0,3.1031799999999997e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D00511
1507,D08366, Phenylephrine tartrate, Adrenergic and dopaminergic agents,C01CA06,CARDIOVASCULAR SYSTEM,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7035,-5.6824,-4.4259,-4.3485,-2.8961,-2.1995,1.5628,1.5764,1.5835,1.7784,1.9801,D08366_C01CA06,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1508,D08366, Phenylephrine tartrate," Sympathomimetics, plain",R01AA04,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7018,-5.6826,-4.4258,-4.3512,-2.8977,-2.2009,1.5611,1.5755,1.5853,1.7790000000000001,1.982,D08366_R01AA04,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1509,D08366, Phenylephrine tartrate," Sympathomimetics, combinations excl. corticosteroids",R01AB01,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7019,-5.6827,-4.4271,-4.3502,-2.8974,-2.2015,1.5615,1.5762,1.5849,1.7788,1.982,D08366_R01AB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1510,D08366, Phenylephrine tartrate, Sympathomimetics,R01BA03,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7044,-5.6801,-4.4323,-4.3531,-2.8943,-2.2087,1.5662,1.5783,1.5848,1.7762,1.9842,D08366_R01BA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1511,D08366, Phenylephrine tartrate, Sympathomimetics excl. antiglaucoma preparations,S01FB01,SENSORY ORGANS,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7099,-5.6752,-4.4287,-4.3518,-2.8879,-2.2077,1.5643,1.5756,1.5884,1.7808,1.9842,D08366_S01FB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1512,D08366, Phenylephrine tartrate, Sympathomimetics used as decongestants,S01GA05,SENSORY ORGANS,c1([C@@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-SECBINFHSA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m1/s1",-5.7018,-5.6844,-4.4258,-4.3466,-2.8981,-2.197,1.5606,1.5777,1.5841,1.7791,1.9786,D08366_S01GA05,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.332,-4.1930000000000005,1,1.0,3.10216e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08366
1513,D08966, Phenylephrine bitartrate (USP), Adrenergic and dopaminergic agents,C01CA06,CARDIOVASCULAR SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7088,-5.6763,-4.4353,-4.3493,-2.8928,-2.2129,1.5653,1.5796,1.5875,1.7801,1.9825,D08966_C01CA06,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1514,D08966, Phenylephrine bitartrate (USP)," Sympathomimetics, plain",R01AA04,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7041,-5.6809,-4.4338,-4.3528,-2.8998,-2.21,1.5659999999999998,1.5793,1.5852,1.7769,1.9829,D08966_R01AA04,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1515,D08966, Phenylephrine bitartrate (USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB01,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.702000000000001,-5.6811,-4.4343,-4.3512,-2.8958,-2.2104,1.5638,1.5785,1.5859,1.7787,1.9835,D08966_R01AB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1516,D08966, Phenylephrine bitartrate (USP), Sympathomimetics,R01BA03,RESPIRATORY SYSTEM,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7092,-5.6791,-4.4304,-4.3531,-2.8930000000000002,-2.2109,1.5702,1.5802,1.5847,1.7768,1.9841,D08966_R01BA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1517,D08966, Phenylephrine bitartrate (USP), Sympathomimetics excl. antiglaucoma preparations,S01FB01,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7045,-5.6796,-4.4324,-4.3512,-2.8972,-2.2086,1.5643,1.5773,1.5857,1.7785,1.983,D08966_S01FB01,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1518,D08966, Phenylephrine bitartrate (USP), Sympathomimetics used as decongestants,S01GA05,SENSORY ORGANS,c1([C@H](C[NH2+]C)O)cc(ccc1)O,168.213,-0.3812,48.2662,57.07,16,3,2,SONNWYBIRXJNDC-VIFPVBQESA-O,C9H14NO2+,C[NH2+]CC(c1cccc(c1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7042,-5.6787,-4.4327,-4.3523,-2.8947,-2.2108,1.5637,1.5763,1.5871,1.7790000000000001,1.9844,D08966_S01GA05,0006000000000040020006000000000400000000000000000000008000000000100040810000000220002018000000000002020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000808000000000060100000110200800004a00000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.333,-4.192,1,1.0,3.103e-06,-,0.1902,-,0.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08966
1519,D03879, Dobutamine (USP/INN), Adrenergic and dopaminergic agents,C01CA07,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)CC[NH2+][C@@H](CCc1ccc(cc1)O)C,302.388,1.9306,90.0584,77.3,27,4,3,JRWZLRBJNMZMFE-CYBMUJFWSA-O,C18H24NO3+,Oc1ccc(cc1)CCC([NH2+]CCc1ccc(c(c1)O)O)C,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/p+1/t13-/m1/s1",-5.7038,-5.684,-4.3597,-4.3207,-1.6174,-1.052,1.5076,1.5501,1.5627,1.5658,1.5756,D03879_C01CA07,00260000000000000a00060000000004000000100000120000000080000000001000408100000000000020180001000001020200000000000000000200000000088004000000000000002000020000000080004000003008c0080800800800000000002000000002000000800000000000060100020110200802004300000000,0100000406f001,030040010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000a0688482dc005c4e7fd1f,0,12,35,0,0,7,46,47,-11.59,-3.9539999999999997,1,2.0,1.7607999999999998e-05,-,0.679,-,0.679,https://www.genome.jp/dbget-bin/www_bget?dr:D03879
1520,D00632, Dobutamine hydrochloride (JP17/USP), Adrenergic and dopaminergic agents,C01CA07,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)CC[NH2+][C@@H](CCc1ccc(cc1)O)C,302.388,1.9306,90.0584,77.3,27,4,3,JRWZLRBJNMZMFE-CYBMUJFWSA-O,C18H24NO3+,Oc1ccc(cc1)CCC([NH2+]CCc1ccc(c(c1)O)O)C,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/p+1/t13-/m1/s1",-5.7102,-5.6906,-4.3699,-4.3523,-1.6204,-0.9412,1.508,1.5598,1.5663,1.5855,1.588,D00632_C01CA07,00260000000000000a00060000000004000000100000120000000080000000001000408100000000000020180001000001020200000000000000000200000000088004000000000000002000020000000080004000003008c0080800800800000000002000000002000000800000000000060100020110200802004300000000,0100000406f001,030040010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000a0688482dc005c4e7fd1f,0,12,35,0,0,7,46,47,-11.59,-3.955,1,,1.7598900000000002e-05,-,0.679,-,0.679,https://www.genome.jp/dbget-bin/www_bget?dr:D00632
1521,D03880, Dobutamine lactobionate (USAN), Adrenergic and dopaminergic agents,C01CA07,CARDIOVASCULAR SYSTEM,[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](CO)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO,358.296,-5.6689,70.9202,217.6,33,9,12,JYTUSYBCFIZPBE-AMTLMPIISA-N,C12H22O12,OCC(C(C(C(C(=O)O)O)O)OC1OC(CO)C(C(C1O)O)O)O,"InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1",-4.5237,-4.4966,-3.1639999999999997,-3.1219,-2.6608,-2.6483,2.4404,2.4726,2.4851,2.5212,2.5454,D03880_C01CA07,000000000000a0000000000000020000200000240000000000000000000400001000000800000005000a0000200010000100000000a04011000100000000800008902a0000000000000080022880001400d000400000000020000001000020000000000800280000000000004000288000010100000000000000000140000500,0400003c30a003,003800000001804000008800000000200000000000000000000000000000000000000437402804,000000000000300180000207821000640c4fa2571c,0,0,45,1,0,8,46,46,-4.449,3.261,9,2.0,5.36493e-08,-,0.6774,-,0.6774,https://www.genome.jp/dbget-bin/www_bget?dr:D03880
1522,D03881, Dobutamine tartrate (USP), Adrenergic and dopaminergic agents,C01CA07,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1)O)O)CC[NH2+][C@@H](CCc1ccc(cc1)O)C,302.388,1.9306,90.0584,77.3,27,4,3,JRWZLRBJNMZMFE-CYBMUJFWSA-O,C18H24NO3+,Oc1ccc(cc1)CCC([NH2+]CCc1ccc(c(c1)O)O)C,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3/p+1/t13-/m1/s1",-5.7026,-5.6892,-4.3622,-4.3618,-1.6167,-1.0311,1.5076,1.5591,1.5611,1.5738,1.5739,D03881_C01CA07,00260000000000000a00060000000004000000100000120000000080000000001000408100000000000020180001000001020200000000000000000200000000088004000000000000002000020000000080004000003008c0080800800800000000002000000002000000800000000000060100020110200802004300000000,0100000406f001,030040010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080000a0688482dc005c4e7fd1f,0,12,35,0,0,7,46,47,-11.595999999999998,-3.955,1,1.0,1.76025e-05,-,0.679,-,0.679,https://www.genome.jp/dbget-bin/www_bget?dr:D03881
1523,D07148, Oxedrine (BAN), Adrenergic and dopaminergic agents,C01CA08,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7049,-5.6785,-4.4338,-4.3514,-2.8945,-2.2116,1.5646,1.577,1.5863,1.7789,1.9847,D07148_C01CA08,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277000000000001,-4.117,1,0.0,3.2001599999999996e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D07148
1524,D07148, Oxedrine (BAN), Sympathomimetics used as decongestants,S01GA06,SENSORY ORGANS,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7033,-5.6816,-4.4365,-4.3496,-2.8992,-2.2111,1.5642,1.5811,1.5867,1.7783,1.9811,D07148_S01GA06,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277000000000001,-4.117,1,0.0,3.2001599999999996e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D07148
1525,D08308, Oxedrine tartrate, Adrenergic and dopaminergic agents,C01CA08,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7117,-5.6732,-4.4324,-4.3465,-2.8871,-2.2105,1.5648,1.5773,1.5892,1.7830000000000001,1.9807,D08308_C01CA08,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277999999999999,-4.117,1,0.0,3.2036400000000004e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D08308
1526,D08308, Oxedrine tartrate, Sympathomimetics used as decongestants,S01GA06,SENSORY ORGANS,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7065,-5.678,-4.4386,-4.3502,-2.8943,-2.2146,1.5654,1.5811,1.5873,1.7785,1.984,D08308_S01GA06,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277999999999999,-4.117,1,0.0,3.2036400000000004e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D08308
1527,D08309, Oxedrine hydrochloride, Adrenergic and dopaminergic agents,C01CA08,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7042,-5.6805,-4.4304,-4.3516,-2.895,-2.2045,1.5630000000000002,1.5772,1.5858,1.7774,1.9839,D08309_C01CA08,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277999999999999,-4.117,1,1.0,3.20355e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D08309
1528,D08309, Oxedrine hydrochloride, Sympathomimetics used as decongestants,S01GA06,SENSORY ORGANS,c1c(ccc(c1)[C@H](C[NH2+]C)O)O,168.213,-0.3812,48.2662,57.07,16,3,2,YRCWQPVGYLYSOX-VIFPVBQESA-O,C9H14NO2+,OC(c1ccc(cc1)O)C[NH2+]C,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1",-5.7057,-5.6802,-4.4331,-4.3518,-2.8983,-2.2074,1.5638,1.5789,1.5858,1.7789,1.9834,D08309_S01GA06,0006000000000040020006000000000400000000000052000000008000000000100040810000000220002018000000000000020000000000000000020000000008000800000000000000000002000000008000400000200840080800000100000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,002840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a50880005400c44c0f51f,0,6,20,0,0,3,26,26,-12.277999999999999,-4.117,1,1.0,3.20355e-06,-,0.1542,-,0.1542,https://www.genome.jp/dbget-bin/www_bget?dr:D08309
1529,D08192, Metaraminol (INN), Adrenergic and dopaminergic agents,C01CA09,CARDIOVASCULAR SYSTEM,c1(cc(ccc1)O)[C@H]([C@H](C)[NH3+])O,168.213,0.055999999999999994,48.1719,68.1,16,3,2,WXFIGDLSSYIKKV-RCOVLWMOSA-O,C9H14NO2+,Oc1cccc(c1)C(C([NH3+])C)O,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/p+1/t6-,9-/m0/s1",-5.3888,-5.3735,-5.3503,-4.1192,-2.8866,-2.0927,1.5838,1.743,1.7452,1.7593,1.9724,D08192_C01CA09,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000102020000000000000000020000000008000800000000000000000002000000008000400000100840080800000900000000000000000002004000c00000000000060100000100200800004a00000000,0100002c02f001,0128c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000040000001400444c0f81f,0,6,20,0,0,2,26,26,-12.39,-4.088,2,1.0,6.84592e-07,-,0.1782,-,0.1782,https://www.genome.jp/dbget-bin/www_bget?dr:D08192
1530,D01019, Metaraminol bitartrate (JAN/USP), Adrenergic and dopaminergic agents,C01CA09,CARDIOVASCULAR SYSTEM,c1(cc(ccc1)O)[C@H]([C@H](C)[NH3+])O,168.213,0.055999999999999994,48.1719,68.1,16,3,2,WXFIGDLSSYIKKV-RCOVLWMOSA-O,C9H14NO2+,Oc1cccc(c1)C(C([NH3+])C)O,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/p+1/t6-,9-/m0/s1",-5.3891,-5.372999999999999,-5.3502,-4.1194,-2.8864,-2.0916,1.5836,1.7432,1.7452,1.7592,1.972,D01019_C01CA09,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000102020000000000000000020000000008000800000000000000000002000000008000400000100840080800000900000000000000000002004000c00000000000060100000100200800004a00000000,0100002c02f001,0128c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000040000001400444c0f81f,0,6,20,0,0,2,26,26,-12.388,-4.0889999999999995,2,0.0,6.85259e-07,-,0.1782,-,0.1782,https://www.genome.jp/dbget-bin/www_bget?dr:D01019
1531,D08201, Methoxamine (BAN), Adrenergic and dopaminergic agents,C01CA10,CARDIOVASCULAR SYSTEM,c1c(ccc(c1[C@@H](O)[C@@H](C)[NH3+])OC)OC,212.266,0.3676,59.1329,66.33,21,2,3,WJAJPNHVVFWKKL-HQJQHLMTSA-O,C11H18NO3+,COc1ccc(c(c1)C(C([NH3+])C)O)OC,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3/p+1/t7-,11+/m1/s1",-5.3968,-5.3688,-5.356,-4.1164,-2.8892,-2.1018,1.5787,1.7315,1.7416,1.7861,1.9731,D08201_C01CA10,000400020040004002000600000300040000000000000800000000c000000000100440810000000320000018000100000102020000000800000000020000001008200800050000010000002002000000c0800040000010084008080000090000000a000000000002004000c00010000000060100080100200800004a00000000,0100002c50f001,0128c2000400000000000000000000000000000000000000000000000000000000000200c02204,0000000000002100000000510000016004d4f2f81f,0,6,27,0,0,4,33,33,-11.825,-3.883,2,1.0,1.28611e-05,+,0.209,-,0.209,https://www.genome.jp/dbget-bin/www_bget?dr:D08201
1532,D01020, Methoxamine hydrochloride (JAN), Adrenergic and dopaminergic agents,C01CA10,CARDIOVASCULAR SYSTEM,c1c(ccc(c1[C@@H](O)[C@@H](C)[NH3+])OC)OC,212.266,0.3676,59.1329,66.33,21,2,3,WJAJPNHVVFWKKL-HQJQHLMTSA-O,C11H18NO3+,COc1ccc(c(c1)C(C([NH3+])C)O)OC,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3/p+1/t7-,11+/m1/s1",-5.3906,-5.3752,-5.3482,-4.1211,-2.8929,-2.105,1.5839,1.7334,1.7385,1.7812,1.9728,D01020_C01CA10,000400020040004002000600000300040000000000000800000000c000000000100440810000000320000018000100000102020000000800000000020000001008200800050000010000002002000000c0800040000010084008080000090000000a000000000002004000c00010000000060100080100200800004a00000000,0100002c50f001,0128c2000400000000000000000000000000000000000000000000000000000000000200c02204,0000000000002100000000510000016004d4f2f81f,0,6,27,0,0,4,33,33,-11.815,-3.884,2,0.0,1.2862e-05,+,0.209,-,0.209,https://www.genome.jp/dbget-bin/www_bget?dr:D01020
1533,D08180, Mephentermine (INN), Adrenergic and dopaminergic agents,C01CA11,CARDIOVASCULAR SYSTEM,c1(CC([NH2+]C)(C)C)ccccc1,164.267,1.2009,54.7334,16.61,18,1,0,RXQCGGRTAILOIN-UHFFFAOYSA-O,C11H18N+,CC(Cc1ccccc1)([NH2+]C)C,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/p+1",-5.7019,-5.6875,-4.4036,-4.3036,-0.7345,-0.5861,1.4035,1.5556,1.5630000000000002,1.579,1.5904,D08180_C01CA11,0006000000000000020006000000000400000000000000000000008000000000100040810000000000002018000100000100000000000000000000020000000000000000000000000000000000000000008000400000300840080800000800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000202081080c00c00001050ac17,0,6,24,0,0,3,30,30,-12.913,-4.007,0,2.0,8.07391e-05,+,0.5095,-,0.5095,https://www.genome.jp/dbget-bin/www_bget?dr:D08180
1534,D01018, Mephentermine sulfate, Adrenergic and dopaminergic agents,C01CA11,CARDIOVASCULAR SYSTEM,c1(CC([NH2+]C)(C)C)ccccc1,164.267,1.2009,54.7334,16.61,18,1,0,RXQCGGRTAILOIN-UHFFFAOYSA-O,C11H18N+,CC(Cc1ccccc1)([NH2+]C)C,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/p+1",-5.7066,-5.6912,-4.3957,-4.3077,-0.7471,-0.6156,1.4025,1.558,1.5636,1.5830000000000002,1.5864,D01018_C01CA11,0006000000000000020006000000000400000000000000000000008000000000100040810000000000002018000100000100000000000000000000020000000000000000000000000000000000000000008000400000300840080800000800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000202081080c00c00001050ac17,0,6,24,0,0,3,30,30,-12.915999999999999,-4.007,0,1.0,8.06918e-05,+,0.5095,-,0.5095,https://www.genome.jp/dbget-bin/www_bget?dr:D01018
1535,D07149, Dimetofrine (INN), Adrenergic and dopaminergic agents,C01CA12,CARDIOVASCULAR SYSTEM,c1(c(c(cc(c1)[C@H](C[NH2+]C)O)OC)O)OC,228.265,-0.364,61.2502,75.53,22,3,4,ZKGDBJAHIIXDDW-QMMMGPOBSA-O,C11H18NO4+,C[NH2+]CC(c1cc(OC)c(c(c1)OC)O)O,"InChI=1S/C11H17NO4/c1-12-6-8(13)7-4-9(15-2)11(14)10(5-7)16-3/h4-5,8,12-14H,6H2,1-3H3/p+1/t8-/m0/s1",-5.7042,-5.6788,-4.4319,-4.3523,-2.8972,-2.2037,1.5617,1.5805,1.5834,1.7805,1.9819,D07149_C01CA12,000600000000004002000600000200040000000000005200000000800000000010004081000000022000201800000000000a020000000800040000020000000008800800050000010000002002400000008000400000200840080800000100000000000000000042004000808010000000060100080110200800004a01000000,0100002c52f001,002842010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210080002a51880005600cdcf2f51f,0,6,28,0,0,5,34,34,-11.789000000000001,-4.043,1,0.0,2.10375e-05,+,0.1886,-,0.1886,https://www.genome.jp/dbget-bin/www_bget?dr:D07149
1536,D05606, Prenalterol hydrochloride (USAN), Adrenergic and dopaminergic agents,C01CA13,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)O)OC[C@H](C[NH2+]C(C)C)O,226.292,0.1037,64.2132,66.3,23,3,3,ADUKCCWBEDSMEB-NSHDSACASA-O,C12H20NO3+,OC(C[NH2+]C(C)C)COc1ccc(cc1)O,"InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/p+1/t11-/m0/s1",-5.6767,-5.6717,-4.3756,-4.3545,-2.0566,-1.9122,1.5527,1.5774,1.5862,1.69,1.7955,D05606_C01CA13,4002000200000000000006000002000000008000000008000000000001000000100000088000000700000018000000000002020000008000000000000000201008200800010020010000000002008000008000400000200040080000000000000000000000000002000000028010000000060100080110200800000000000004,0100002c52f001,012842010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210080020a42891009600c46d2fd1f,0,6,30,0,0,6,36,36,-11.094000000000001,-4.062,1,0.0,4.54343e-05,-,0.2356,-,0.2356,https://www.genome.jp/dbget-bin/www_bget?dr:D05606
1537,D03891, Dopexamine (USAN/INN), Adrenergic and dopaminergic agents,C01CA14,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)CC[NH2+]CCCCCC[NH2+]CCc1ccccc1)O)O,358.51800000000003,1.5702,111.323,73.68,36,4,2,RYBJORHCUPVNMB-UHFFFAOYSA-P,C22H34N2O2++,Oc1cc(CC[NH2+]CCCCCC[NH2+]CCc2ccccc2)ccc1O,"InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2/p+2",-5.7058,-5.6959,-5.688,-5.6832,-4.4179,-4.3997,1.5711,1.5722,1.5806,1.5821,1.7735,D03891_C01CA14,00260000000000000200060000000004000000100000120000000080000000001000508100000000100020180000000001020200002000000000000200000000088000000000000000000000020000000080014000002008c0080800800000000000002000000002000000800000000000060100000110200800004300000000,0100000406f001,020040010400000000000000000000000000000000030000000000000000000000000200c02200,000000000000210080002a06884021c005e6e5751f,0,12,49,0,0,13,60,61,-12.899000000000001,-5.774,0,5.0,4.85807e-06,-,1.1146,-,1.1146,https://www.genome.jp/dbget-bin/www_bget?dr:D03891
1538,D03892, Dopexamine hydrochloride (USAN), Adrenergic and dopaminergic agents,C01CA14,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)CC[NH2+]CCCCCC[NH2+]CCc1ccccc1)O)O,358.51800000000003,1.5702,111.323,73.68,36,4,2,RYBJORHCUPVNMB-UHFFFAOYSA-P,C22H34N2O2++,Oc1cc(CC[NH2+]CCCCCC[NH2+]CCc2ccccc2)ccc1O,"InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2/p+2",-5.7034,-5.6967,-5.6877,-5.6784,-4.398,-4.3945,1.5674,1.5682,1.5719999999999998,1.5754,1.7723,D03892_C01CA14,00260000000000000200060000000004000000100000120000000080000000001000508100000000100020180000000001020200002000000000000200000000088000000000000000000000020000000080014000002008c0080800800000000000002000000002000000800000000000060100000110200800004300000000,0100000406f001,020040010400000000000000000000000000000000030000000000000000000000000200c02200,000000000000210080002a06884021c005e6e5751f,0,12,49,0,0,13,60,61,-12.9,-5.773,0,-1.0,4.85355e-06,-,1.1146,-,1.1146,https://www.genome.jp/dbget-bin/www_bget?dr:D03892
1539,D07150, Gepefrine (INN), Adrenergic and dopaminergic agents,C01CA15,CARDIOVASCULAR SYSTEM,c1(cc(ccc1)O)C[C@H](C)[NH3+],152.214,0.5651,47.0101,47.87,15,2,1,WTDGMHYYGNJEKQ-ZETCQYMHSA-O,C9H14NO+,Oc1cccc(c1)CC([NH3+])C,"InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3/p+1/t7-/m0/s1",-5.3775,-5.3749,-5.3586,-4.133,-0.8859,-0.7074,1.5441,1.5472,1.5581,1.7553,1.7575,D07150_C01CA15,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000102020000000000000000020000000008000000000000000000000002000000008000400000100840080800000800000000000000000002000000c00000000000060100000100200800004200000000,0100000402f001,0300c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000010000000004804005400444c0bc1f,0,6,19,0,0,2,25,25,-12.206,-4.167,1,1.0,1.14391e-06,-,0.7347,+,0.7347,https://www.genome.jp/dbget-bin/www_bget?dr:D07150
1540,D04488, Ibopamine (USAN/INN), Adrenergic and dopaminergic agents,C01CA16,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)CC[NH2+]C)OC(=O)C(C)C)OC(=O)C(C)C,308.393,1.5451,87.3074,69.21,30,1,4,WDKXLLJDNUBYCY-UHFFFAOYSA-O,C17H26NO4+,C[NH2+]CCc1ccc(c(c1)OC(=O)C(C)C)OC(=O)C(C)C,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3/p+1",-5.711,-5.6909,-4.4205,-4.4155,-4.4048,-4.3711,1.47,1.5611,1.5686,1.5743,1.5835,D04488_C01CA16,40060010000000000a00060000020004040000000000120000000080000000021000408100000011000a2018000000000002020000000800000000020000020008a00802010001018000002002c28000009000400000200840080800000000000000000000000402000000820010000000062100080110200800004200000004,0500000050f005,070040010400000000009000000000000000000000000000000000000000000000000200c02a01,000000000000010080022a1088402d6480d8f6f71f,0,6,40,2,0,9,48,48,-12.704,-4.165,0,,0.00205535,+,0.5028,-,0.5028,https://www.genome.jp/dbget-bin/www_bget?dr:D04488
1541,D04488, Ibopamine (USAN/INN), Sympathomimetics excl. antiglaucoma preparations,S01FB03,SENSORY ORGANS,c1(c(ccc(c1)CC[NH2+]C)OC(=O)C(C)C)OC(=O)C(C)C,308.393,1.5451,87.3074,69.21,30,1,4,WDKXLLJDNUBYCY-UHFFFAOYSA-O,C17H26NO4+,C[NH2+]CCc1ccc(c(c1)OC(=O)C(C)C)OC(=O)C(C)C,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3/p+1",-5.7033,-5.6883,-4.4732,-4.4215,-4.4172,-4.3733,1.571,1.5716,1.5723,1.5769,1.5809,D04488_S01FB03,40060010000000000a00060000020004040000000000120000000080000000021000408100000011000a2018000000000002020000000800000000020000020008a00802010001018000002002c28000009000400000200840080800000000000000000000000402000000820010000000062100080110200800004200000004,0500000050f005,070040010400000000009000000000000000000000000000000000000000000000000200c02a01,000000000000010080022a1088402d6480d8f6f71f,0,6,40,2,0,9,48,48,-12.704,-4.165,0,,0.00205535,+,0.5028,-,0.5028,https://www.genome.jp/dbget-bin/www_bget?dr:D04488
1542,D08057, Ibopamine hydrochloride, Adrenergic and dopaminergic agents,C01CA16,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)CC[NH2+]C)OC(=O)C(C)C)OC(=O)C(C)C,308.393,1.5451,87.3074,69.21,30,1,4,WDKXLLJDNUBYCY-UHFFFAOYSA-O,C17H26NO4+,C[NH2+]CCc1ccc(c(c1)OC(=O)C(C)C)OC(=O)C(C)C,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3/p+1",-5.711,-5.6888,-4.4227,-4.4208,-4.3958,-4.3724,1.54,1.5627,1.571,1.5749,1.5829,D08057_C01CA16,40060010000000000a00060000020004040000000000120000000080000000021000408100000011000a2018000000000002020000000800000000020000020008a00802010001018000002002c28000009000400000200840080800000000000000000000000402000000820010000000062100080110200800004200000004,0500000050f005,070040010400000000009000000000000000000000000000000000000000000000000200c02a01,000000000000010080022a1088402d6480d8f6f71f,0,6,40,2,0,9,48,48,-12.709000000000001,-4.16,0,1.0,0.002055498,+,0.5028,-,0.5028,https://www.genome.jp/dbget-bin/www_bget?dr:D08057
1543,D08057, Ibopamine hydrochloride, Sympathomimetics excl. antiglaucoma preparations,S01FB03,SENSORY ORGANS,c1(c(ccc(c1)CC[NH2+]C)OC(=O)C(C)C)OC(=O)C(C)C,308.393,1.5451,87.3074,69.21,30,1,4,WDKXLLJDNUBYCY-UHFFFAOYSA-O,C17H26NO4+,C[NH2+]CCc1ccc(c(c1)OC(=O)C(C)C)OC(=O)C(C)C,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3/p+1",-5.7126,-5.6812,-4.4322,-4.4155,-4.4153,-4.362,1.5543,1.5574,1.5807,1.5937,1.7859,D08057_S01FB03,40060010000000000a00060000020004040000000000120000000080000000021000408100000011000a2018000000000002020000000800000000020000020008a00802010001018000002002c28000009000400000200840080800000000000000000000000402000000820010000000062100080110200800004200000004,0500000050f005,070040010400000000009000000000000000000000000000000000000000000000000200c02a01,000000000000010080022a1088402d6480d8f6f71f,0,6,40,2,0,9,48,48,-12.709000000000001,-4.16,0,1.0,0.002055498,+,0.5028,-,0.5028,https://www.genome.jp/dbget-bin/www_bget?dr:D08057
1544,D08220, Midodrine (INN), Adrenergic and dopaminergic agents,C01CA17,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)OC)OC)[C@H](CNC(=O)C[NH3+])O,255.29,-0.5138,66.9416,95.43,24,3,5,PTKSEFOSCHHMPD-JTQLQIEISA-O,C12H19N2O4+,COc1ccc(cc1C(CNC(=O)C[NH3+])O)OC,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)/p+1/t10-/m0/s1",-5.4265,-5.3651,-5.3173,-4.6321,-4.4592,-3.7637,2.3612,2.3892,2.6779,2.6991,3.0811,D08220_C01CA17,0006000200400040030006000003000c0000000000000800000000c00000000018004083010000022006203800000000000202000000080000000002000000900820080005001001000000200280000080a00040000020084008080080010000040a000000000002004000808010000000060100080110200850004a00000000,0500002c50f001,0028c20004000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040025d886011600deef2ff1f,0,6,30,1,0,7,37,37,-11.290999999999999,-4.436,1,1.0,1.12793e-05,-,0.2598,-,0.2598,https://www.genome.jp/dbget-bin/www_bget?dr:D08220
1545,D01307, Midodrine hydrochloride (JAN/USAN), Adrenergic and dopaminergic agents,C01CA17,CARDIOVASCULAR SYSTEM,c1c(ccc(c1[C@H](CNC(=O)C[NH3+])O)OC)OC,255.29,-0.5138,66.9416,95.43,24,3,5,PTKSEFOSCHHMPD-JTQLQIEISA-O,C12H19N2O4+,COc1ccc(cc1C(CNC(=O)C[NH3+])O)OC,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)/p+1/t10-/m0/s1",-5.3771,-5.3701,-5.3613,-4.6237,-4.3024,-3.8446,1.7782,2.3378,2.4091,2.5335,2.5815,D01307_C01CA17,0006000200400040030006000003000c0000000000000800000000c00000000018004083010000022006203800000000000202000000080000000002000000900820080005001001000000200280000080a00040000020084008080080010000040a000000000002004000808010000000060100080110200850004a00000000,0500002c50f001,0028c20004000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040025d886011600deef2ff1f,0,6,30,1,0,7,37,37,-11.290999999999999,-4.435,1,-1.0,1.12327e-05,-,0.2598,-,0.2598,https://www.genome.jp/dbget-bin/www_bget?dr:D01307
1546,D00178, Octopamine hydrochloride (JAN), Adrenergic and dopaminergic agents,C01CA18,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)O)[C@H](C[NH3+])O,154.186,-0.3325,43.3649,68.1,14,3,2,QHGUCRYDKWKLMG-QMMMGPOBSA-O,C8H12NO2+,[NH3+]CC(c1ccc(cc1)O)O,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1/t8-/m0/s1",-5.3908,-5.3801,-5.3397,-4.1318,-2.8874,-2.1054,1.5896,1.7398,1.7467,1.7548,1.9892,D00178_C01CA18,0004000000000040020006000000000400000000000052000000008000000000100040810000000220000018000000000000020000000000000000020000000008000800000000000000000002000000008000400000000840080800000100000000000000000002004000000000000000060100000100200800000000000000,0100002c02f001,0028c0000400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000240880001400c44c0751f,0,6,17,0,0,2,23,23,-12.370999999999999,-4.217,1,,1.96554e-07,-,0.1591,-,0.1591,https://www.genome.jp/dbget-bin/www_bget?dr:D00178
1547,D07946, Fenoldopam (INN), Adrenergic and dopaminergic agents,C01CA19,CARDIOVASCULAR SYSTEM,C1c2c([C@H](C[NH2+]C1)c1ccc(cc1)O)cc(c(c2Cl)O)O,306.764,3.2774,87.1194,77.3,20,4,3,TVURRHSHRRELCG-CYBMUJFWSA-O,C16H17ClNO3+,Oc1ccc(cc1)C1C[NH2+]CCc2c1cc(O)c(c2Cl)O,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/p+1/t13-/m1/s1",-5.6987,-5.6973,-4.4043,-4.3839,-1.656,-1.4777,1.5287,1.5681,1.5764,1.5799,1.5819,D07946_C01CA19,002602000000000002000600800000060000004000001200000a00a00020000010004a810040000000012018000400000002020000001000000010020002000008800000000000800200200006000002008980400000200844080800800000000100000100040016000000802000000000060100000111200800004600800000,0100000406f001,060040010400000000000000000000000000000000070000000000000000000000004600c02204,000004000000212080006a04d84521c125c7e7711f,0,12,28,0,0,1,38,40,-12.072000000000001,-3.8960000000000004,1,1.0,0.000683653,+,0.5391,+,0.5391,https://www.genome.jp/dbget-bin/www_bget?dr:D07946
1548,D00613, Fenoldopam mesylate (USP), Adrenergic and dopaminergic agents,C01CA19,CARDIOVASCULAR SYSTEM,C1c2c([C@@H](C[NH2+]C1)c1ccc(cc1)O)cc(c(c2Cl)O)O,306.764,3.2774,87.1194,77.3,20,4,3,TVURRHSHRRELCG-ZDUSSCGKSA-O,C16H17ClNO3+,Oc1ccc(cc1)C1C[NH2+]CCc2c1cc(O)c(c2Cl)O,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/p+1/t13-/m0/s1",-5.7042,-5.686,-4.4014,-4.3877,-1.6576,-1.4755,1.5295,1.5748,1.5763,1.5791,1.5853,D00613_C01CA19,002602000000000002000600800000060000004000001200000a00a00020000010004a810040000000012018000400000002020000001000000010020002000008800000000000800200200006000002008980400000200844080800800000000100000100040016000000802000000000060100000111200800004600800000,0100000406f001,060040010400000000000000000000000000000000070000000000000000000000004600c02204,000004000000212080006a04d84521c125c7e7711f,0,12,28,0,0,1,38,40,-12.022,-3.887,1,,0.000644308,+,0.5391,+,0.5391,https://www.genome.jp/dbget-bin/www_bget?dr:D00613
1549,D07151, Cafedrine (BAN), Adrenergic and dopaminergic agents,C01CA21,CARDIOVASCULAR SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2CC[NH2+][C@@H]([C@H](c1ccccc1)O)C,358.415,-0.8808,100.975,98.66,28,2,7,UJSKUDDDPKGBJY-IUODEOHRSA-O,C18H24N5O3+,OC(c1ccccc1)C([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)C,"InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/p+1/t12-,15-/m1/s1",-5.6808,-5.6524,-4.8163,-4.5837,-4.3572,-4.3121,1.5879,1.7928,1.9559,2.5366,2.8471,D07151_C01CA21,800e0000000008c0120046000040000c0000040000000060000020c00000040014007083410080236000203800010080010200000000400000800802000080100c000c00800838000000400102900000008000400c90300ce008088080096006000000000080000080c00000c00018000007014200011800001c80002a000000,0100002c00f001,012840010400000000008000200000004042040000009900000000000000000000004640c03204,000000003000210001d41edd9b6bb94384f7ffff1f,0,16,34,2,0,6,50,52,-11.91,-4.238,2,1.0,0.000476239,+,1.2804,-,1.2804,https://www.genome.jp/dbget-bin/www_bget?dr:D07151
1550,D02976, Arbutamine hydrochloride (USAN), Adrenergic and dopaminergic agents,C01CA22,CARDIOVASCULAR SYSTEM,c1c(cc(c(c1)O)O)[C@H](C[NH2+]CCCCc1ccc(cc1)O)O,318.387,1.4231,91.2202,97.53,28,5,4,IIRWWTKISYTTBL-SFHVURJKSA-O,C18H24NO4+,Oc1ccc(cc1)CCCC[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/p+1/t18-/m0/s1",-5.7205,-5.6817,-4.388999999999999,-4.32,-2.8895,-2.1719,1.5694,1.5741,1.5745,1.7676,1.9696,D02976_C01CA22,00260000000000400200060000000004000000100000520000000080000000001000508100000002200020180001000001020200000000000000000200000010088008000000080000002000020000000080014000003008c0080800800910000000002000000002004000808000000000060100020110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a46884021c00dcee7751f,0,12,36,0,0,8,47,48,-11.155999999999999,-3.9619999999999997,1,,0.000171888,-,0.4606,-,0.4606,https://www.genome.jp/dbget-bin/www_bget?dr:D02976
1551,D07155, Theodrenaline (INN), Adrenergic and dopaminergic agents,C01CA23,CARDIOVASCULAR SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2CC[NH2+]C[C@@H](c1cc(c(cc1)O)O)O,376.38699999999994,-1.8581,100.214,139.12,28,4,9,WMCMJIGLYZDKRN-ZDUSSCGKSA-O,C17H22N5O5+,OC(c1ccc(c(c1)O)O)C[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3/p+1/t13-/m0/s1",-5.7175,-5.6427,-4.815,-4.5733,-4.3821,-4.338,1.5778,1.7901,1.9722,2.5408,2.8556,D07155_C01CA23,800e0000000008c0120046000040000c0000040000005260000020c00000040014007083410080236000203800010080000202000000400000800802000080100c800c00800838000000400102900000008000400c90200ce008088080016006000000000080000280c00080c00018000007014200011820081c804a2a000000,0100002c06f001,002840010400000000008000200000004042040000039900000000000000000000004640c03204,000000003000210081d43edd9b63b1438defffff1f,0,16,33,2,0,6,49,51,-11.795,-4.752,1,1.0,5.45605e-05,-,1.3429,-,1.3429,https://www.genome.jp/dbget-bin/www_bget?dr:D07155
1552,D01304, Amezinium metilsulfate (JAN), Adrenergic and dopaminergic agents,C01CA25,CARDIOVASCULAR SYSTEM,c1c(cccc1)n1c(cc(cn1)N)OC,202.232,2.3254,58.8674,53.07,15,1,3,SUWCUVRZWNRFID-UHFFFAOYSA-N,C11H12N3O,COc1cc(N)cnn1c1ccccc1,"InChI=1S/C11H12N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8H,12H2,1H3",-5.0278,-4.9994,-3.6483,-3.1373,-3.0036,-2.9906,1.3395,1.6116,1.8025,1.9359,2.9603,D01304_C01CA25,081204000000000010000e100082000180000010000200040200000000000000100020000e0800611000003e000010e0010860000400c00c000080010080250048011800400002200000000000000000008002401c002000c00d0000044620000000000020020000002000000000102000070100400010000400000006400000,0000000030b001,0200c0000000004000000000000000000000000000000000100000000000000000000600402004,000000000000282010c40a7a8b6098eb5c6169b91f,0,6,27,0,0,2,32,33,-13.398,-5.455,0,,0.000322383,+,0.2941,-,0.2941,https://www.genome.jp/dbget-bin/www_bget?dr:D01304
1553,D00124, Ephedrine (USP), Adrenergic and dopaminergic agents,C01CA26,CARDIOVASCULAR SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7042,-5.6776,-4.436,-4.3292,-2.8873,-2.221,1.5717,1.5795,1.597,1.7805,1.9668,D00124_C01CA26,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.100999999999999,-3.96,2,,2.20703e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00124
1554,D00124, Ephedrine (USP)," Sympathomimetics, plain",R01AA03,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7032,-5.6767,-4.4233,-4.3264,-2.8864,-2.2037,1.5684,1.5719,1.5967,1.7855,1.9627,D00124_R01AA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.100999999999999,-3.96,2,,2.20703e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00124
1555,D00124, Ephedrine (USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB05,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7095,-5.6718,-4.4348,-4.3291,-2.8794,-2.2244,1.5692,1.5771,1.6011,1.7826,1.9669999999999999,D00124_R01AB05,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.100999999999999,-3.96,2,,2.20703e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00124
1556,D00124, Ephedrine (USP), Alpha- and beta-adrenoreceptor agonists,R03CA02,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7018,-5.6796,-4.4223,-4.3275,-2.8868,-2.2006,1.5701,1.5724,1.5954,1.7841,1.9631,D00124_R03CA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.100999999999999,-3.96,2,,2.20703e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00124
1557,D00124, Ephedrine (USP), Sympathomimetics excl. antiglaucoma preparations,S01FB02,SENSORY ORGANS,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7081,-5.6719,-4.4356,-4.3285,-2.8823,-2.2229,1.5681,1.5774,1.5979,1.7828,1.9673,D00124_S01FB02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.100999999999999,-3.96,2,,2.20703e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00124
1558,D01386, Ephedrine hydrochloride (JP17/USP), Adrenergic and dopaminergic agents,C01CA26,CARDIOVASCULAR SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7079,-5.676,-4.4263,-4.3249,-2.8874,-2.2054,1.5681,1.5764,1.5933,1.7821,1.9627,D01386_C01CA26,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.097000000000001,-3.9610000000000003,2,1.0,2.2057399999999997e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D01386
1559,D01386, Ephedrine hydrochloride (JP17/USP)," Sympathomimetics, plain",R01AA03,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7062,-5.678999999999999,-4.4224,-4.3229,-2.8906,-2.1971,1.5715,1.5777,1.5888,1.7821,1.9613,D01386_R01AA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.097000000000001,-3.9610000000000003,2,1.0,2.2057399999999997e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D01386
1560,D01386, Ephedrine hydrochloride (JP17/USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB05,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7041,-5.6807,-4.4209,-4.3254,-2.8899,-2.1939,1.5678,1.5766,1.5898,1.7815,1.9632,D01386_R01AB05,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.097000000000001,-3.9610000000000003,2,1.0,2.2057399999999997e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D01386
1561,D01386, Ephedrine hydrochloride (JP17/USP), Alpha- and beta-adrenoreceptor agonists,R03CA02,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7042,-5.6772,-4.436,-4.329,-2.887,-2.2212,1.571,1.5793,1.5963,1.7805,1.9672,D01386_R03CA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.097000000000001,-3.9610000000000003,2,1.0,2.2057399999999997e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D01386
1562,D01386, Ephedrine hydrochloride (JP17/USP), Sympathomimetics excl. antiglaucoma preparations,S01FB02,SENSORY ORGANS,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7022,-5.6775,-4.4356,-4.3278,-2.8854,-2.213,1.5725,1.5784,1.5955,1.7815,1.9664,D01386_S01FB02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.097000000000001,-3.9610000000000003,2,1.0,2.2057399999999997e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D01386
1563,D04018, Ephedrine sulfate (USP), Adrenergic and dopaminergic agents,C01CA26,CARDIOVASCULAR SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7041,-5.6785,-4.4175,-4.3264,-2.8874,-2.1949,1.5702,1.5709,1.5922,1.7826,1.9626,D04018_C01CA26,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.1,-3.9610000000000003,2,,2.1998400000000003e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D04018
1564,D04018, Ephedrine sulfate (USP)," Sympathomimetics, plain",R01AA03,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7089,-5.6714,-4.4364,-4.3273,-2.8816,-2.2212,1.5685,1.5786,1.598,1.7821,1.9654,D04018_R01AA03,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.1,-3.9610000000000003,2,,2.1998400000000003e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D04018
1565,D04018, Ephedrine sulfate (USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB05,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7048,-5.6807,-4.4208,-4.3253,-2.89,-2.1938,1.5678,1.5766,1.5898,1.7815,1.9632,D04018_R01AB05,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.1,-3.9610000000000003,2,,2.1998400000000003e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D04018
1566,D04018, Ephedrine sulfate (USP), Alpha- and beta-adrenoreceptor agonists,R03CA02,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7043,-5.6768,-4.4266,-4.3257,-2.8857,-2.2028,1.5722,1.5755,1.5926,1.7811,1.9642,D04018_R03CA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.1,-3.9610000000000003,2,,2.1998400000000003e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D04018
1567,D04018, Ephedrine sulfate (USP), Sympathomimetics excl. antiglaucoma preparations,S01FB02,SENSORY ORGANS,c1cccc(c1)[C@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WPRPVWTQSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1",-5.7035,-5.6791,-4.4222,-4.3265,-2.8879,-2.1982,1.5696,1.5743,1.5918,1.7819,1.9635,D04018_S01FB02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.1,-3.9610000000000003,2,,2.1998400000000003e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D04018
1568,D01277, Droxidopa (JP17/INN), Adrenergic and dopaminergic agents,C01CA27,CARDIOVASCULAR SYSTEM,c1c(c(cc(c1)[C@@H]([C@H](C(=O)O)[NH3+])O)O)O,214.195,-1.1737,51.9667,125.63,16,5,5,QXWYKJLNLSIPIN-SFYZADRCSA-O,C9H12NO5+,OC(=O)C(C(c1ccc(c(c1)O)O)O)[NH3+],"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/p+1/t7-,8+/m1/s1",-5.3791,-5.365,-5.3646,-4.5781,-4.5275,-4.4368,2.2325,2.3447,2.3634,2.5321,3.1131,D01277_C01CA27,00040000000000400200060000000004000000000000520000000080000800001000408140000003200a001800010000010202000800400100000002000000000880080000000000000000000280001400b000400000100840080800000900000000000000000002004000c00000000000060100000100200800004a00000000,0500002c06f003,0028c0000400000000008800000000100000000000030000000000000000000000000200c02a04,0000000000003100800000410000014404cce27a1f,0,6,20,1,0,3,27,27,-8.761000000000001,-0.532,2,,1.6822799999999998e-06,-,0.193,-,0.193,https://www.genome.jp/dbget-bin/www_bget?dr:D01277
1569,D00231, Inamrinone (USP), Phosphodiesterase inhibitors,C01CE01,CARDIOVASCULAR SYSTEM,c1(c2ccncc2)cc(c(=O)[nH]c1)N,187.19799999999998,1.6003,54.6981,71.77,12,2,3,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,C10H9N3O,O=c1[nH]cc(cc1N)c1ccncc1,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",-5.1103,-5.0676,-4.1122,-3.4789,-3.2123,-2.8362,1.3538,1.4192,1.6175,1.8866,1.9395,D00231_C01CE01,a0000000000000000000460000004000400000000002000800000840010004001804500000408030008002880000004002000000000020040c0000020000020004000480000010000000200000880180000000600400000460000040000000060000000000000000400000040410040030020000004100000008800002200000,0000000000b021,000040080000000000008000200000000001000000009500000000000000000000000640402800,0000000000002020014008480220914154e1612a1f,0,12,11,1,0,1,23,24,-8.187000000000001,-0.298,0,,0.055235705999999996,+,0.4108,-,0.4108,https://www.genome.jp/dbget-bin/www_bget?dr:D00231
1570,D02084, Inamrinone ethylenelactate, Phosphodiesterase inhibitors,C01CE01,CARDIOVASCULAR SYSTEM,c1(c2ccncc2)cc(c(=O)[nH]c1)N,187.19799999999998,1.6003,54.6981,71.77,12,2,3,RNLQIBCLLYYYFJ-UHFFFAOYSA-N,C10H9N3O,O=c1[nH]cc(cc1N)c1ccncc1,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",-5.1103,-5.0676,-4.1122,-3.4789,-3.2123,-2.8362,1.3538,1.4192,1.6175,1.8866,1.9395,D02084_C01CE01,a0000000000000000000460000004000400000000002000800000840010004001804500000408030008002880000004002000000000020040c0000020000020004000480000010000000200000880180000000600400000460000040000000060000000000000000400000040410040030020000004100000008800002200000,0000000000b021,000040080000000000008000200000000001000000009500000000000000000000000640402800,0000000000002020014008480220914154e1612a1f,0,12,11,1,0,1,23,24,-8.189,-0.299,0,,0.055102829000000006,+,0.4108,-,0.4108,https://www.genome.jp/dbget-bin/www_bget?dr:D02084
1571,D00417, Milrinone (JAN/USP/INN), Phosphodiesterase inhibitors,C01CE02,CARDIOVASCULAR SYSTEM,c1(c2ccncc2)cc(c(=O)[nH]c1C)C#N,211.21900000000002,1.6169799999999999,59.9747,69.54,12,1,3,PZRHRDRVRGEVNW-UHFFFAOYSA-N,C12H9N3O,N#Cc1cc(c2ccncc2)c([nH]c1=O)C,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",-4.1238,-3.4745,-3.4297,-2.8313,-1.413,-1.3951,0.7454,0.8974,1.261,1.6218,1.7427,D00417_C01CE02,200200000000000000000200040040004100000040060008000008c00100040018045002014480300080028800000040020020000000a00404100002000042000c000482000012000000200000880180000080600400000470008140000100060000000000080010400001042210040010020010004100000108000002200000,00000000003011,0100000000000000000080002000000010010000000095000000000000000000000006c0403800,0000000000010020018000080320914100e1618a1f,0,12,12,1,1,1,25,26,-9.446,-1.12,0,,0.18253582699999998,-,0.4969,-,0.4969,https://www.genome.jp/dbget-bin/www_bget?dr:D00417
1572,D02085, Milrinone lactate, Phosphodiesterase inhibitors,C01CE02,CARDIOVASCULAR SYSTEM,c1(c2ccncc2)cc(c(=O)[nH]c1C)C#N,211.21900000000002,1.6169799999999999,59.9747,69.54,12,1,3,PZRHRDRVRGEVNW-UHFFFAOYSA-N,C12H9N3O,N#Cc1cc(c2ccncc2)c([nH]c1=O)C,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",-4.1238,-3.4745,-3.4297,-2.8313,-1.413,-1.3951,0.7454,0.8974,1.261,1.6218,1.7427,D02085_C01CE02,200200000000000000000200040040004100000040060008000008c00100040018045002014480300080028800000040020020000000a00404100002000042000c000482000012000000200000880180000080600400000470008140000100060000000000080010400001042210040010020010004100000108000002200000,00000000003011,0100000000000000000080002000000010010000000095000000000000000000000006c0403800,0000000000010020018000080320914100e1618a1f,0,12,12,1,1,1,25,26,-9.447000000000001,-1.119,0,,0.182503775,-,0.4969,-,0.4969,https://www.genome.jp/dbget-bin/www_bget?dr:D02085
1573,D04004, Enoximone (USAN/INN), Phosphodiesterase inhibitors,C01CE03,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)C(=O)c1[nH]c(=O)[nH]c1C)SC,248.301,1.9643,67.9749,91.02,15,2,3,ZJKNESGOIKRXQY-UHFFFAOYSA-N,C12H12N2O2S,CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C,"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)",-4.6739,-3.8363,-3.8279,-3.1339,-2.8505,-2.8453,1.2562,1.7293,1.7349,1.8871,1.8876,D04004_C01CE03,20140120000020c003004200840000020000004008000000000200c1000004001d0440000040802100860608000000800000004000000000010000020000010404000c000000020000003100008000000088006000800828600808400001400400100005002c000000800800400000041006110000110200001a800102000008,14000000003101,010008002000010000000000000000004043040000008500000000000000000000000640403800,0000000010042084015085d00122914184e1f0ca1f,0,11,17,2,0,3,29,30,-8.772,-0.7609999999999999,0,1.0,0.217758715,-,0.7128,-,0.7128,https://www.genome.jp/dbget-bin/www_bget?dr:D04004
1574,D07546, Bucladesine (INN), Phosphodiesterase inhibitors,C01CE04,CARDIOVASCULAR SYSTEM,c1(ncnc2c1ncn2[C@H]1[C@@H]([C@H]2[C@@H](CO[P@](=O)(O2)O)O1)OC(=O)CCC)NC(=O)CCC,469.38599999999997,1.7630000000000001,109.105,173.8,35,2,13,CJGYSWNGNKCJSB-YVLZZHOMSA-N,C18H24N5O8P,CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1",-10.5163,-10.2415,-7.4907,-7.4808,-4.461,-4.0501,2.4369,2.615,2.6418,2.9228,3.1262,D07546_C01CE04,c08301000010e8d11f00460008020200f00001100006000e02001040020400101400000c44418027500e041420001880035020800000c0390040800020002e000cda1e1081100a002001ba0300900004049001400c80380cb0008041006140004038100000cc000010e00800e4003820200f89891c0718800018c0014a000100,0400000030b005,0300000000000000000090000a0000010000000000009800000000000020200000004601403805,000000102080002191d414cbb3f3b66fde6dffff1f,0,10,46,3,0,9,56,59,-5.5920000000000005,1.034,4,0.0,0.000135989,-,2.1133,-,2.1133,https://www.genome.jp/dbget-bin/www_bget?dr:D07546
1575,D01238, Bucladesine sodium (JAN), Phosphodiesterase inhibitors,C01CE04,CARDIOVASCULAR SYSTEM,c1(ncnc2c1ncn2[C@H]1[C@@H]([C@H]2[C@@H](CO[P@](=O)(O2)O)O1)OC(=O)CCC)NC(=O)CCC,469.38599999999997,1.7630000000000001,109.105,173.8,35,2,13,CJGYSWNGNKCJSB-YVLZZHOMSA-N,C18H24N5O8P,CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1",-10.5448,-10.2513,-7.4726,-7.4587,-4.4711,-3.7936,2.3918,2.4465,2.4652,2.6254,2.9857,D01238_C01CE04,c08301000010e8d11f00460008020200f00001100006000e02001040020400101400000c44418027500e041420001880035020800000c0390040800020002e000cda1e1081100a002001ba0300900004049001400c80380cb0008041006140004038100000cc000010e00800e4003820200f89891c0718800018c0014a000100,0400000030b005,0300000000000000000090000a0000010000000000009800000000000020200000004601403805,000000102080002191d414cbb3f3b66fde6dffff1f,0,10,46,3,0,9,56,59,-5.5920000000000005,1.031,4,1.0,0.000135981,-,2.1133,-,2.1133,https://www.genome.jp/dbget-bin/www_bget?dr:D01238
1576,D02939, Angiotensin amide (USAN), Other cardiac stimulants,C01CX06,CARDIOVASCULAR SYSTEM,[C@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])CCCNC(=[NH2])N)C(C)C)Cc1ccc(cc1)O)C(C)C)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)O,1033.18,1.5775,274.796,415.92,94,14,22,SICBUOKAUUIWMG-KORSLHANSA-O,C49H72N14O11+,NC(=[NH2])NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)C(CC(=O)N)[NH3+],"InChI=1S/C49H71N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,55,64H,8-9,12-13,18-23,50,52-53H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)/p+1/t32-,33-,34-,35-,36+,37+,39+,40+/m0/s1",-12.5572,-12.5061,-10.8476,-6.2027,-6.1895,-6.1759,3.7938,3.8078,3.8892,5.0118,5.0733,D02939_C01CX06,00268020004008e00b0046001600000c000100100000124000020080001804001800509343000023200e2538000d002001020240180040000000000e000000100c001c0000001a81012810001290000e00b8035000803028c20b0900800b60000c2000202020000210000000c0020004100e8105000110200872000102000304,0500000c02f003,0700c00004000000000088001e0000c00140000000019400000000000000000000000600c03a04,000000010004310001f61ece8962f1c78d7fffff1f,0,17,122,10,0,36,146,149,-6.364,-6.107,8,0.0,,+,18.2315,-,18.2315,https://www.genome.jp/dbget-bin/www_bget?dr:D02939
1577,D06328, Xamoterol (USAN), Other cardiac stimulants,C01CX07,CARDIOVASCULAR SYSTEM,C(NC(=O)N1CCOCC1)C[NH2+]C[C@@H](COc1ccc(cc1)O)O,340.395,-0.9341,92.6139,107.87,33,4,7,DXPOSRCHIDYWHW-AWEZNQCLSA-O,C16H26N3O5+,OC(COc1ccc(cc1)O)C[NH2+]CCNC(=O)N1CCOCC1,"InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/p+1/t14-/m0/s1",-5.7061,-5.695,-5.2451,-4.7562,-4.6691,-4.354,2.0888,2.373,2.6555,2.9674,3.0834,D06328_C01CX07,40020002000000000100060000020008000080000000880000000000010400001800000a8100001700040138000100000002020040008000000000001000203008210800091030010020000002a080000080004000002000400802000000000008200000040000020000000280100000000e2184080110200860000010000004,0100002c72f041,00a842010400000000000000000000000040040000010000000000000000000000000600c02a04,000000001000210180543a468b72b1e30d6fcf7f1f,0,6,44,1,0,10,50,51,-10.998,-4.638,1,1.0,0.00020105400000000002,-,0.6233,-,0.6233,https://www.genome.jp/dbget-bin/www_bget?dr:D06328
1578,D06329, Xamoterol fumarate (USAN), Other cardiac stimulants,C01CX07,CARDIOVASCULAR SYSTEM,C(NC(=O)N1CCOCC1)C[NH2+]C[C@@H](COc1ccc(cc1)O)O,340.395,-0.9341,92.6139,107.87,33,4,7,DXPOSRCHIDYWHW-AWEZNQCLSA-O,C16H26N3O5+,OC(COc1ccc(cc1)O)C[NH2+]CCNC(=O)N1CCOCC1,"InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/p+1/t14-/m0/s1",-5.705,-5.6204,-5.2631,-4.6981,-4.6828,-4.3792,2.3577,2.6598,2.9607,2.9771,2.9801,D06329_C01CX07,40020002000000000100060000020008000080000000880000000000010400001800000a8100001700040138000100000002020040008000000000001000203008210800091030010020000002a080000080004000002000400802000000000008200000040000020000000280100000000e2184080110200860000010000004,0100002c72f041,00a842010400000000000000000000000040040000010000000000000000000000000600c02a04,000000001000210180543a468b72b1e30d6fcf7f1f,0,6,44,1,0,10,50,51,-10.999,-4.637,1,1.0,0.000201068,-,0.6233,-,0.6233,https://www.genome.jp/dbget-bin/www_bget?dr:D06329
1579,D04720, Levosimendan (USAN/INN), Other cardiac stimulants,C01CX08,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)C1=NNC(=O)C[C@H]1C)NN=C(C#N)C#N,280.285,1.19916,84.5524,113.43,19,2,7,WHXMKTBCFHIYNQ-SECBINFHSA-N,C14H12N6O,N#CC(=NNc1ccc(cc1)C1=NNC(=O)CC1C)C#N,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",-3.8032,-3.6060000000000003,-3.1225,-3.1186,-2.5754,-2.1995,1.4405,1.4835,1.9942,2.3664,2.9934,D04720_C01CX08,808440000000204002000f00090010000000000000000040000840800000200010006008000c04740006001c000108c00108a00000040000001000020000400000400800c00020000800200000800084049001400c001108c10808000009100002400001010000000008000404004000800e034002010000000800010e208100,0400000000b011,0700000000000000000080000000000010000000000000002000000000000000000006c0402805,000000000001082010e0006c8260d4495e6161aa1f,0,6,23,3,2,3,33,34,-9.502,-1.176,1,,0.110935055,+,0.8019,-,0.8019,https://www.genome.jp/dbget-bin/www_bget?dr:D04720
1580,D00515, Nitroglycerin (JP17/USP), Organic nitrates,C01DA02,CARDIOVASCULAR SYSTEM,C(CO[N](=O)O)(CO[N](=O)O)O[N](=O)O,230.11,0.2237,39.3635,176.67,17,3,0,GFEWGIIUHBZTOM-UHFFFAOYSA-N,C3H8N3O9,O[N](=O)OC(CO[N](=O)O)CO[N](=O)O,"InChI=1S/C3H8N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-6.1554,-6.0903,-6.0885,-5.022,-5.0021,-4.9911,2.0956,2.1465,2.1695,2.8088,2.8325,D00515_C01DA02,0000000000000000000000000000004400040000000000000000000000000000100000144000000500000000000000000000000000000001000000000000000018000814000000000000000000080180000080420200000000000002008000100000000008000000000000002000000000000000000000004000020000000000,0100000000e008,000000000000000000000000000000000000000000000000000000000000000000000000c02a00,0000800000800140f00000272152402a8e2e8a5509,0,0,19,3,0,8,23,22,-12.167,-2.2359999999999998,0,1.0,,+,0.9108,-,0.9108,https://www.genome.jp/dbget-bin/www_bget?dr:D00515
1581,D00515, Nitroglycerin (JP17/USP), Muscle relaxants,C05AE01,CARDIOVASCULAR SYSTEM,C(CO[N](=O)O)(CO[N](=O)O)O[N](=O)O,230.11,0.2237,39.3635,176.67,17,3,0,GFEWGIIUHBZTOM-UHFFFAOYSA-N,C3H8N3O9,O[N](=O)OC(CO[N](=O)O)CO[N](=O)O,"InChI=1S/C3H8N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-6.1366,-6.117999999999999,-6.1132,-5.0219,-5.0061,-4.9962,2.0889,2.1204,2.3801,2.8357,2.8382,D00515_C05AE01,0000000000000000000000000000004400040000000000000000000000000000100000144000000500000000000000000000000000000001000000000000000018000814000000000000000000080180000080420200000000000002008000100000000008000000000000002000000000000000000000004000020000000000,0100000000e008,000000000000000000000000000000000000000000000000000000000000000000000000c02a00,0000800000800140f00000272152402a8e2e8a5509,0,0,19,3,0,8,23,22,-12.167,-2.2359999999999998,0,1.0,,+,0.9108,-,0.9108,https://www.genome.jp/dbget-bin/www_bget?dr:D00515
1582,D05627, Propatyl nitrate (USAN), Organic nitrates,C01DA07,CARDIOVASCULAR SYSTEM,C(CC)(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,272.19,1.2515,53.5245,176.67,23,3,0,GWZWAVQUUGTJKO-UHFFFAOYSA-N,C6H14N3O9,CCC(CO[N](=O)O)(CO[N](=O)O)CO[N](=O)O,"InChI=1S/C6H14N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)",-6.1634,-6.1146,-6.1129,-5.0132,-5.0077,-4.9737,2.0871,2.09,2.3663,2.7908,2.8364,D05627_C01DA07,0000000000000000000000000040000400000000000000000000000000000000100000055000000100000000000000000100000000004001000000000000000018000804000000000000000000080180000080400200000000000002008000100000000008000000000000002000000000000000000000004000000000000000,0100000000e008,0b0000000000000000000000000000000000000000000000000000000000000000000000c02a00,00008000008001407200002320d24a2a862e0ad509,0,0,28,3,0,10,32,31,-12.264000000000001,-1.683,0,1.0,,+,0.7949,-,0.7949,https://www.genome.jp/dbget-bin/www_bget?dr:D05627
1583,D00516, Isosorbide dinitrate (JP17/USP/INN), Organic nitrates,C01DA08,CARDIOVASCULAR SYSTEM,[C@@H]12[C@@H]([C@H](CO1)O[N](=O)O)OC[C@H]2O[N](=O)O,238.15200000000002,-0.233,44.117,136.24,18,2,2,LATYWHUAJURTDV-JGWLITMVSA-N,C6H10N2O8,O[N](=O)OC1COC2C1OCC2O[N](=O)O,"InChI=1S/C6H10N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6-/m1/s1",-6.1153,-6.0763,-5.006,-5.0012,-3.8477,-3.8316,1.5749,1.599,2.0609,2.0659,2.7937,D00516_C01DA08,00000010000000000000000000420024200200000000000000000000000400001000001d5000000500000010200000000100000000204021000000000000000018800a1400000800000080020088018000808042020000000000000300a000104004000008000000000000006000280000000100000000004000010140000000,0100000030e009,008000000000000000000000000000000000000000000000000000000000000000004401c02a04,0000800000800141f00004a53113c0ea8e6f8a5119,0,0,25,2,0,4,26,27,-12.046,-1.474,4,,0.03188723,+,0.8405,-,0.8405,https://www.genome.jp/dbget-bin/www_bget?dr:D00516
1584,D00516, Isosorbide dinitrate (JP17/USP/INN), Muscle relaxants,C05AE02,CARDIOVASCULAR SYSTEM,[C@@H]12[C@@H]([C@H](CO1)O[N](=O)O)OC[C@H]2O[N](=O)O,238.15200000000002,-0.233,44.117,136.24,18,2,2,LATYWHUAJURTDV-JGWLITMVSA-N,C6H10N2O8,O[N](=O)OC1COC2C1OCC2O[N](=O)O,"InChI=1S/C6H10N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6-/m1/s1",-6.1344,-6.1139,-4.9984,-4.9958,-3.8401,-3.8373,1.5699,1.5735,2.0621,2.0642,2.8022,D00516_C05AE02,00000010000000000000000000420024200200000000000000000000000400001000001d5000000500000010200000000100000000204021000000000000000018800a1400000800000080020088018000808042020000000000000300a000104004000008000000000000006000280000000100000000004000010140000000,0100000030e009,008000000000000000000000000000000000000000000000000000000000000000004401c02a04,0000800000800141f00004a53113c0ea8e6f8a5119,0,0,25,2,0,4,26,27,-12.046,-1.474,4,,0.03188723,+,0.8405,-,0.8405,https://www.genome.jp/dbget-bin/www_bget?dr:D00516
1585,D01756, Trolnitrate phosphate (JAN), Organic nitrates,C01DA09,CARDIOVASCULAR SYSTEM,C(C[NH+](CCO[N](=O)O)CCO[N](=O)O)O[N](=O)O,288.21299999999997,-1.26,57.9382,181.11,25,4,0,ZOCILPPTEBIWON-UHFFFAOYSA-O,C6H16N4O9+,O[N](=O)OCC[NH+](CCO[N](=O)O)CCO[N](=O)O,"InChI=1S/C6H15N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)/p+1",-6.1739,-6.0916,-6.0614,-5.9932,-5.0618,-5.0187,2.0769,2.0881,2.7773,2.8029,2.8318,D01756_C01DA09,000200000000000000000400000000040000000000000000000000000000000000000000000000020000000000000000000008000000000000000000000000101800088800002000000000000208010001000041020020000002200000800010000000000800000000000000a000000000040000000000004000000000000000,0100000000e008,000040020400000000000000000000000000000000000000000000000000000000000000c02a00,000080000080014070803266a85260aa8f2e4e7509,0,0,31,3,0,12,35,34,-15.008,-6.3,0,,,+,1.3347,-,1.3347,https://www.genome.jp/dbget-bin/www_bget?dr:D01756
1586,D04051, Erythrityl tetranitrate (USAN), Organic nitrates,C01DA13,CARDIOVASCULAR SYSTEM,C([C@@H]([C@@H](CO[N](=O)O)O[N](=O)O)O[N](=O)O)O[N](=O)O,306.142,0.2152,51.78,235.56,22,4,0,YAMWFZHKUHTJKC-ZXZARUISSA-N,C4H10N4O12,O[N](=O)OC(C(O[N](=O)O)CO[N](=O)O)CO[N](=O)O,"InChI=1S/C4H10N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t3-,4+",-6.1768,-6.1327,-6.117000000000001,-6.0878,-5.0042,-4.9956,2.1571,2.6871,2.7862,2.8156,2.8329,D04051_C01DA13,0000000000000000000000000040004400040000000000000000000000000000100000155000000500000000000000000100000000004021000000000000000018000814000000000000000000080180000080420200000000000002008000100000000008000000000000002000200000000000000000004000020000000000,0100000000e008,000000000000000000000000000000000000000000000000000000000000000000000000c02a04,0000800000800140f00000272152402a8f2e8a5509,0,0,25,4,0,11,30,29,-12.429,-2.3080000000000003,2,0.0,,+,1.3855,-,1.3855,https://www.genome.jp/dbget-bin/www_bget?dr:D04051
1587,D00630, Isosorbide mononitrate (JP17/USP/INN), Organic nitrates,C01DA14,CARDIOVASCULAR SYSTEM,[C@@H]12[C@@H]([C@H](CO1)O)OC[C@H]2O[N](=O)O,192.14700000000002,-0.8636,37.6693,97.58,16,2,3,QSJYRZIKRFCJIX-SLPGGIOYSA-N,C6H10NO6,O[N](=O)OC1COC2C1OCC2O,"InChI=1S/C6H10NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2,(H,9,10)/t3-,4+,5+,6+/m0/s1",-6.1338,-4.9916,-3.8457,-2.0681,-1.9174,-1.5702,1.4995,1.5182,1.5718,1.7587,2.0624,D00630_C01DA14,00000010000000000000000000420024200200000000000000000000000400001000001d5000000500000010200000000100000000204021000000000000000018800a1400000800000080020088018000808042020000000000000300a000104004000008000000000000006000280000000100000000004000010140000000,0100002c30e009,00a800000000000000000000000000000000000000000000000000000000000000004401c02a04,0000800000800141f00004a5b113c0ea0e4f8a5119,0,0,23,1,0,2,23,24,-11.437000000000001,-1.183,4,0.0,0.008072359,+,0.6571,-,0.6571,https://www.genome.jp/dbget-bin/www_bget?dr:D00630
1588,D04195, Flosequinan (USAN/INN), Quinolone vasodilators,C01DB01,CARDIOVASCULAR SYSTEM,c12c(ccc(c1)F)c(=O)c(cn2C)[S@](=O)C,239.266,2.2807,61.8355,58.28,12,0,3,UYGONJYYUKVHDD-MRXNPFEDSA-N,C11H10FNO2S,Fc1ccc2c(c1)n(C)cc(c2=O)S(=O)C,"InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/t16-/m1/s1",-3.1391,-2.0654,-1.3494,-1.2008,-0.8392,-0.6666,0.496,0.5782,0.5961,0.9111,0.9526,D04195_C01DB01,200301004000040000800700000000000300040000000040c000000000000001190010980000802018800018000000c001280000000020000040000000000004040004004000608000106000008800000080016005001000c01860c000000002000400000000000030000000000004000006900300401a000002800102100000,00000000003101,000000000000000000000000000000004003000000088900000100000000000000004640402805,000000000002049c0505d1113305014ba0c1b9ea1f,1,11,14,2,0,1,26,27,-9.01,-0.562,0,0.0,0.010468637,-,0.5125,-,0.5125,https://www.genome.jp/dbget-bin/www_bget?dr:D04195
1589,D07157, Itramin tosilate (INN), Other vasodilators used in cardiac diseases,C01DX01,CARDIOVASCULAR SYSTEM,c1cc(ccc1S(=O)(=O)O)C,172.202,2.3225,41.2668,62.75,10,1,3,JOXIMZWYDAKGHI-UHFFFAOYSA-N,C7H8O3S,Cc1ccc(cc1)S(=O)(=O)O,"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",-9.6712,-9.6517,-9.1041,-2.0173,-1.4971,-1.1776,1.1129,1.1186,2.4032,2.5828,2.6386,D07157_C01DX01,200001000000000200000200000000022000004000000000000000800000000008004008000000000000000800000080002000000000000000000002000000000000000000022080020000000000000000800060002000004008080000000000000200000000000000000000000000000002d100000100000010800000000000,0000000000b001,010000000000000000000000000000000000000000000000000022000000000000000240402800,00000000c080449e140181002082000882040ac01e,0,6,11,2,0,1,19,19,-6.553999999999999,3.6830000000000003,0,0.0,3.62528e-07,+,0.2693,-,0.2693,https://www.genome.jp/dbget-bin/www_bget?dr:D07157
1590,D02383, Prenylamine (USAN/INN), Other vasodilators used in cardiac diseases,C01DX02,CARDIOVASCULAR SYSTEM,C(c1ccccc1)(c1ccccc1)CC[NH2+][C@H](Cc1ccccc1)C,330.486,4.4032,108.476,16.61,28,1,0,IFFPICMESYHZPQ-FQEVSTJZSA-O,C24H28N+,CC(Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1,"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3/p+1/t20-/m0/s1",-5.7713,-5.6903,-4.402,-4.3632,-1.136,-0.7272,1.4081,1.5548,1.571,1.5805,1.6144,D02383_C01DX02,00260000000000000a000600800000040000005000000000000000a0000000001000408100000000000020180001000001020000000000000000000200000000000004000000000000000000020000000080004000003008c0080800800800000000002100000000000000000000000000060100000110000002000000000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a0088482c80010045ad17,0,18,37,0,0,8,53,55,-12.306,-3.6489999999999996,1,2.0,0.18253797300000002,+,1.0434,+,1.0434,https://www.genome.jp/dbget-bin/www_bget?dr:D02383
1591,D02167, Prenylamine lactate (JAN), Other vasodilators used in cardiac diseases,C01DX02,CARDIOVASCULAR SYSTEM,C(c1ccccc1)(c1ccccc1)CC[NH2+][C@H](Cc1ccccc1)C,330.486,4.4032,108.476,16.61,28,1,0,IFFPICMESYHZPQ-FQEVSTJZSA-O,C24H28N+,CC(Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1,"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3/p+1/t20-/m0/s1",-5.7121,-5.7058,-4.3818,-4.3391,-0.9792,-0.7489,1.4240000000000002,1.5563,1.5604,1.5689,1.6008,D02167_C01DX02,00260000000000000a000600800000040000005000000000000000a0000000001000408100000000000020180001000001020000000000000000000200000000000004000000000000000000020000000080004000003008c0080800800800000000002100000000000000000000000000060100000110000002000000000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a0088482c80010045ad17,0,18,37,0,0,8,53,55,-12.312999999999999,-3.6439999999999997,1,1.0,0.182668373,+,1.0434,+,1.0434,https://www.genome.jp/dbget-bin/www_bget?dr:D02167
1592,D08321, Oxyfedrine (INN), Other vasodilators used in cardiac diseases,C01DX03,CARDIOVASCULAR SYSTEM,c1(ccccc1)[C@H]([C@@H]([NH2+]CCC(=O)c1cccc(c1)OC)C)O,314.399,1.9535,92.0647,63.14,27,2,3,GDYUVHBMFVMBAF-LIRRHRJNSA-O,C19H24NO3+,COc1cccc(c1)C(=O)CC[NH2+]C(C(c1ccccc1)O)C,"InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/p+1/t14-,19-/m0/s1",-5.6819,-5.6354,-4.4068,-4.3376,-2.887,-2.7914,1.5848,1.5871,1.7799,1.9655,2.8189,D08321_C01DX03,00260000000000c00a0006000002000400000010000000000000008000100000140040810000000320022218000100000102020010000800000000020000001008000c200140080100000020028000080090004000003008c008080080090000000000200000000200400040801000000006010008011020080a004200000000,1500002c50f001,032842010400010000000000000000000001000000000000000000000000000000000240c02a05,000000000000210000000a54894829600c44d7ff1f,0,12,35,1,0,8,47,48,-11.854000000000001,-3.9930000000000003,2,0.0,0.002979453,-,0.3649,-,0.3649,https://www.genome.jp/dbget-bin/www_bget?dr:D08321
1593,D01233, Oxyfedrine hydrochloride (JAN), Other vasodilators used in cardiac diseases,C01DX03,CARDIOVASCULAR SYSTEM,c1(ccccc1)[C@H]([C@@H]([NH2+]CCC(=O)c1cccc(c1)OC)C)O,314.399,1.9535,92.0647,63.14,27,2,3,GDYUVHBMFVMBAF-LIRRHRJNSA-O,C19H24NO3+,COc1cccc(c1)C(=O)CC[NH2+]C(C(c1ccccc1)O)C,"InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/p+1/t14-,19-/m0/s1",-5.6894,-5.6279,-4.3953,-4.3313,-2.8871,-2.839,1.5768,1.5844,1.7776,1.9635,2.8118,D01233_C01DX03,00260000000000c00a0006000002000400000010000000000000008000100000140040810000000320022218000100000102020010000800000000020000001008000c200140080100000020028000080090004000003008c008080080090000000000200000000200400040801000000006010008011020080a004200000000,1500002c50f001,032842010400010000000000000000000001000000000000000000000000000000000240c02a05,000000000000210000000a54894829600c44d7ff1f,0,12,35,1,0,8,47,48,-11.870999999999999,-3.987,2,0.0,0.002974267,-,0.3649,-,0.3649,https://www.genome.jp/dbget-bin/www_bget?dr:D01233
1594,D01833, Benziodarone (JAN/INN), Other vasodilators used in cardiac diseases,C01DX04,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c(o2)CC)C(=O)c1cc(c(c(c1)I)O)I,518.0840000000001,5.141,103.318,50.44,14,1,3,CZCHIEJNWPNBDE-UHFFFAOYSA-N,C17H12I2O3,CCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)O)cccc2,"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",-3.7975,-0.7701,-0.6274,-0.5615,-0.4935,-0.4865,0.451,0.4587,0.4735,0.5384,0.6094,D01833_C01DX04,000400000000208002800201802000021000804a14005204004000a01200000814004800004000404a020208400001000010020000011000000001022040000018000010202008408000200243840840008c00402000000c40080800004102000902204100040102008100000102000000020100010138a00808204000104000,1400000402b001,03000000000001000000000000000000400100000021a000000000000000000000004640403000,0000000400000001000044811005034028c5a3d61e,0,16,19,1,0,3,34,36,-9.316,-0.8109999999999999,0,-1.0,0.921362638,+,0.507,-,0.507,https://www.genome.jp/dbget-bin/www_bget?dr:D01833
1595,D07619, Carbocromen (INN), Other vasodilators used in cardiac diseases,C01DX05,CARDIOVASCULAR SYSTEM,c1(=O)c(c(c2c(o1)cc(cc2)OCC(=O)OCC)C)CC[NH+](CC)CC,362.44,1.5105,102.803,70.18,32,1,5,KLOIYEQEVSIOOO-UHFFFAOYSA-O,C20H28NO5+,CCOC(=O)COc1ccc2c(c1)oc(=O)c(c2C)CC[NH+](CC)CC,"InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3/p+1",-6.0386,-4.7195,-4.5760000000000005,-4.5476,-4.5036,-4.4169,1.5448,1.5881,1.5984,1.6105,1.7293,D07619_C01DX05,000600000000000002080601002200463000900a3900000000400080100400081000588908402004080a201a00400000000202000200000840000082200202000808081081802001800020000284804000c040402000240c4008084080600a025002004000000002200140003312050000060100080118200820200040000004,0500000070f005,03004202040000000000b00000000000000100000000a100000000000000000000004640c03a00,0000000000000101800032019a592b6689dbfff71f,0,11,42,2,0,10,54,55,-11.675,-3.71,0,0.0,0.04382015400000001,+,1.0209,-,1.0209,https://www.genome.jp/dbget-bin/www_bget?dr:D07619
1596,D01812, Chromonar hydrochloride (USAN), Other vasodilators used in cardiac diseases,C01DX05,CARDIOVASCULAR SYSTEM,c1(=O)c(c(c2c(o1)cc(cc2)OCC(=O)OCC)C)CC[NH+](CC)CC,362.44,1.5105,102.803,70.18,32,1,5,KLOIYEQEVSIOOO-UHFFFAOYSA-O,C20H28NO5+,CCOC(=O)COc1ccc2c(c1)oc(=O)c(c2C)CC[NH+](CC)CC,"InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3/p+1",-6.0321,-4.6597,-4.5633,-4.5594,-4.5563,-4.3381,1.5844,1.5858,1.59,1.6476,1.9032,D01812_C01DX05,000600000000000002080601002200463000900a3900000000400080100400081000588908402004080a201a00400000000202000200000840000082200202000808081081802001800020000284804000c040402000240c4008084080600a025002004000000002200140003312050000060100080118200820200040000004,0500000070f005,03004202040000000000b00000000000000100000000a100000000000000000000004640c03a00,0000000000000101800032019a592b6689dbfff71f,0,11,42,2,0,10,54,55,-11.671,-3.7060000000000004,0,,0.043803364000000004,+,1.0209,-,1.0209,https://www.genome.jp/dbget-bin/www_bget?dr:D01812
1597,D04438, Hexobendine (USAN/INN), Other vasodilators used in cardiac diseases,C01DX06,CARDIOVASCULAR SYSTEM,c1(c(c(cc(c1)C(=O)OCCC[N@H+](CC[N@@H+](CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)C)C)OC)OC)OC,594.694,0.5616,159.04399999999998,116.86,56,2,10,KRQAMFQCSAJCRH-UHFFFAOYSA-P,C30H46N2O10++,COc1cc(cc(c1OC)OC)C(=O)OCCC[NH+](CC[NH+](CCCOC(=O)c1cc(OC)c(c(c1)OC)OC)C)C,"InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3/p+2",-6.0422,-6.0199,-4.5884,-4.5585,-4.5122,-4.5015,1.5789,1.5889,1.5938,1.6317,2.3149,D04438_C01DX06,00020002000000c00c000600000200080000000000004a0000200080010400001400400281000001200a023820000000000a020000008800040000020000220008800822054000010020090002c00000008000400000200048080000000100000000000000000442004000001010000000060104090110200808004801000000,0500000070f005,020042020400000000009000000000000001000000000000000000000000000000000240c02204,00000000000021008040321789582de68dfafff71f,0,12,75,2,0,21,88,89,-12.329,-7.957000000000001,2,,2.39408e-05,+,3.5951,-,3.5951,https://www.genome.jp/dbget-bin/www_bget?dr:D04438
1598,D07922, Etafenone (INN), Other vasodilators used in cardiac diseases,C01DX07,CARDIOVASCULAR SYSTEM,c1ccc(c(c1)C(=O)CCc1ccccc1)OCC[NH+](CC)CC,326.453,2.8056,100.611,30.74,30,1,2,OEGDFSLNGABBKJ-UHFFFAOYSA-O,C21H28NO2+,CC[NH+](CCOc1ccccc1C(=O)CCc1ccccc1)CC,"InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3/p+1",-6.0483,-4.5598,-4.5403,-4.538,-2.7968,-1.4877,1.4533,1.5719999999999998,1.5784,1.594,1.6298,D07922_C01DX07,000600000000008002400600000300000100000000080000000000c000080000140440000000001200020608000100000100020008000000008002020000001008200a000110000100002000028080046090004000003008400808000008000000020000000000020000028080100000020601000a0100200808000100200004,1500000050f001,030042020400010000000000000000004001000000000000000000000000000000000240c02a01,00000000000001000000324188582b6209c2fdf71f,0,12,40,1,0,10,52,53,-11.841,-4.313,0,0.0,0.001415676,+,0.4403,-,0.4403,https://www.genome.jp/dbget-bin/www_bget?dr:D07922
1599,D01440, Etafenone hydrochloride (JAN), Other vasodilators used in cardiac diseases,C01DX07,CARDIOVASCULAR SYSTEM,c1ccc(c(c1)C(=O)CCc1ccccc1)OCC[NH+](CC)CC,326.453,2.8056,100.611,30.74,30,1,2,OEGDFSLNGABBKJ-UHFFFAOYSA-O,C21H28NO2+,CC[NH+](CCOc1ccccc1C(=O)CCc1ccccc1)CC,"InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3/p+1",-6.0365,-4.5663,-4.5335,-4.4842,-2.8618,-1.4887,1.4412,1.5646,1.5831,1.5848,1.5982,D01440_C01DX07,000600000000008002400600000300000100000000080000000000c000080000140440000000001200020608000100000100020008000000008002020000001008200a000110000100002000028080046090004000003008400808000008000000020000000000020000028080100000020601000a0100200808000100200004,1500000050f001,030042020400010000000000000000004001000000000000000000000000000000000240c02a01,00000000000001000000324188582b6209c2fdf71f,0,12,40,1,0,10,52,53,-11.843,-4.315,0,0.0,0.001798066,+,0.4403,-,0.4403,https://www.genome.jp/dbget-bin/www_bget?dr:D01440
1600,D07158, Heptaminol (INN), Other vasodilators used in cardiac diseases,C01DX08,CARDIOVASCULAR SYSTEM,C[C@@H](CCCC(O)(C)C)[NH3+],146.25,0.5579999999999999,45.7349,47.87,21,2,1,LREQLEBVOXIEOM-ZETCQYMHSA-O,C8H20NO+,CC(CCCC(O)(C)C)[NH3+],"InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/p+1/t7-/m0/s1",-5.4131,-5.3873,-5.3042,-4.1644,-2.6742,-1.9025,1.5562,1.5619,1.7408,1.7686,1.7790000000000001,D07158_C01DX08,0000000000000200000004000000000000000000000000000000000000000000100000000000000110000010000000000100000000204000000000000000000008000800000000000000800100000000000001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000000,0100004c00e000,0348c0000400000000000000000000000000000000000000000000000000000000000000c02204,00000000000001000202000680c82c000c14d4bc09,0,0,29,0,0,4,30,29,-13.515999999999998,-4.192,1,2.0,,-,0.8456,-,0.8456,https://www.genome.jp/dbget-bin/www_bget?dr:D07158
1601,D08037, Heptaminol acefyllinate, Other vasodilators used in cardiac diseases,C01DX08,CARDIOVASCULAR SYSTEM,C[C@@H](CCCC(C)(OC(=O)Cn1c2c(n(c(=O)n(c2=O)C)C)nc1)C)[NH3+],366.435,-0.4438,100.59,115.76,33,1,8,VYQJFIGMSSIWAR-NSHDSACASA-O,C17H28N5O4+,CC(CCCC(OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)(C)C)[NH3+],"InChI=1S/C17H27N5O4/c1-11(18)7-6-8-17(2,3)26-12(23)9-22-10-19-14-13(22)15(24)21(5)16(25)20(14)4/h10-11H,6-9,18H2,1-5H3/p+1/t11-/m0/s1",-5.3802,-5.3709,-5.3612,-4.7186,-4.6094,-4.4175,1.7699,1.7718,1.7928,1.9855,2.0736,D08037_C01DX08,8002000000000ac002004600004200003000040000020060000020c0000404101600300441008023500a0010200100800100000000204010008008400000a2000c900c08801028000000c8010090000000a001400c80000ca000008000014006000000000080000000c10000400008000007018200011880001880012a000000,0500000030f005,0300c0000400000000009000200000004042040000009900000000000000000000004640c03a04,000000003000010003d614df9bebbde788f9feff1f,0,10,42,3,0,8,54,55,-10.770999999999999,-4.369,1,1.0,1.14991e-06,+,2.0352,-,2.0352,https://www.genome.jp/dbget-bin/www_bget?dr:D08037
1602,D08038, Heptaminol hydrochloride, Other vasodilators used in cardiac diseases,C01DX08,CARDIOVASCULAR SYSTEM,C[C@@H](CCCC(O)(C)C)[NH3+],146.25,0.5579999999999999,45.7349,47.87,21,2,1,LREQLEBVOXIEOM-ZETCQYMHSA-O,C8H20NO+,CC(CCCC(O)(C)C)[NH3+],"InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3/p+1/t7-/m0/s1",-5.4975,-5.3513,-5.3224,-4.1631,-2.5333,-1.9035,1.5606,1.5662,1.7262,1.7877,1.7954,D08038_C01DX08,0000000000000200000004000000000000000000000000000000000000000000100000000000000110000010000000000100000000204000000000000000000008000800000000000000800100000000000001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000000,0100004c00e000,0348c0000400000000000000000000000000000000000000000000000000000000000000c02204,00000000000001000202000680c82c000c14d4bc09,0,0,29,0,0,4,30,29,-13.575,-4.224,1,0.0,,-,0.8456,-,0.8456,https://www.genome.jp/dbget-bin/www_bget?dr:D08038
1603,D07159, Imolamine (INN), Other vasodilators used in cardiac diseases,C01DX09,CARDIOVASCULAR SYSTEM,c1(ccccc1)c1[nH]oc(=[NH2])n1CC[NH+](CC)CC,263.35900000000004,1.0754,77.8308,64.32,24,3,2,SONLHHVMZJDJEK-UHFFFAOYSA-O,C14H23N4O+,CC[NH+](CCn1c(=[NH2])o[nH]c1c1ccccc1)CC,"InChI=1S/C14H22N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,16H,3-4,10-11,15H2,1-2H3/p+1",-7.7146,-7.3817,-7.0502,-6.5303,-6.0315,-4.8535,2.6705,2.7562,2.9638,3.7984,3.8338,D07159_C01DX09,0002000000000c800900060010010008000000920040204c000002c0000c0000040040030000000000c00129000000010084000000000000000000021000010038007002000400000060000002380000018000400000200052080100808690000030a002000000000c00050000100000000e0104000100c01108000000000000,0100000000f001,0100c0020400000003000000000000000040000000000000000000000000000000000600c02204,000080003000312150f43ee6a96afa0b15237cbd1f,0,6,37,1,0,6,43,44,-20.003,-13.137,0,1.0,2.62375e-14,+,0.4787,-,0.4787,https://www.genome.jp/dbget-bin/www_bget?dr:D07159
1604,D07843, Dilazep (INN), Other vasodilators used in cardiac diseases,C01DX10,CARDIOVASCULAR SYSTEM,[N@@H+]1(CCC[N@H+](CC1)CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCCOC(=O)c1cc(c(c(c1)OC)OC)OC,606.7040000000001,3.8441,168.977,116.86,56,2,10,QVZCXCJXTMIDME-UHFFFAOYSA-P,C31H46N2O10++,COc1cc(cc(c1OC)OC)C(=O)OCCC[NH+]1CCC[NH+](CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3/p+2",-6.0051,-5.9871,-4.7197,-4.5894,-4.5591,-4.4848,1.6301,1.6597,1.6788,2.0392,2.3298,D07843_C01DX10,00220002000000c01c000600000200080000000000004a0000200080010400001400400281000001200a023820000008000a020000008800040000020000220008800822054000010020090002c0000000800040000020006809000000010000000000000000044200400000101000000006010409011020080c004801000000,0500000070f005,020042020400000000009000000000000001000000000000000000000000000000000640c02204,000004000000310080c432178950a1e78dfbfff71f,0,12,77,2,0,18,89,91,-12.333,-7.6129999999999995,2,0.0,6.7295e-05,+,4.2152,-,4.2152,https://www.genome.jp/dbget-bin/www_bget?dr:D07843
1605,D02631, Dilazep dihydrochloride hydrate (JP17), Other vasodilators used in cardiac diseases,C01DX10,CARDIOVASCULAR SYSTEM,[N@@H+]1(CCC[N@H+](CC1)CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCCOC(=O)c1cc(c(c(c1)OC)OC)OC,606.7040000000001,3.8441,168.977,116.86,56,2,10,QVZCXCJXTMIDME-UHFFFAOYSA-P,C31H46N2O10++,COc1cc(cc(c1OC)OC)C(=O)OCCC[NH+]1CCC[NH+](CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3/p+2",-6.0236,-6.0017,-4.5938,-4.5922,-4.5699,-4.5693,1.5938,1.5949,1.6144,1.9048,2.3749,D02631_C01DX10,00220002000000c01c000600000200080000000000004a0000200080010400001400400281000001200a023820000008000a020000008800040000020000220008800822054000010020090002c0000000800040000020006809000000010000000000000000044200400000101000000006010409011020080c004801000000,0500000070f005,020042020400000000009000000000000001000000000000000000000000000000000640c02204,000004000000310080c432178950a1e78dfbfff71f,0,12,77,2,0,18,89,91,-12.329,-7.614,2,1.0,6.937020000000001e-05,+,4.2152,-,4.2152,https://www.genome.jp/dbget-bin/www_bget?dr:D02631
1606,D01220, Trapidil (JP17/INN), Other vasodilators used in cardiac diseases,C01DX11,CARDIOVASCULAR SYSTEM,c12n(c(cc(n1)C)N(CC)CC)ncn2,205.26,1.2789,59.568999999999996,46.32,19,0,5,GSNOZLZNQMLSKJ-UHFFFAOYSA-N,C10H15N5,CCN(c1cc(C)nc2n1ncn2)CC,"InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3",-4.4916,-2.9854,-2.9828,-2.8536,-2.8075,-2.4193,1.5987,1.6632,1.9097,1.9566,2.5373,D01220_C01DX11,e0020000001100c0002046000c000000c00800000000022000020000002c040014810000424880204000040400001080000022000000400000408003008804000c400c18000002000000100006000004001801400400200010000410000100000008200000808000044000000400000000060c08000100600908000002000100,00000000003021,010000000000000000000000000000000000000000009800000000000000000000004600403000,000000012000080001d034a01a038a0b503318ad17,0,10,21,0,0,3,30,31,-9.213,-0.8370000000000001,0,-1.0,0.007923752,+,0.675,-,0.675,https://www.genome.jp/dbget-bin/www_bget?dr:D01220
1607,D01320, Molsidomine (JAN/USAN/INN), Other vasodilators used in cardiac diseases,C01DX12,CARDIOVASCULAR SYSTEM,N1(CCOCC1)n1noc(c1)NC(=O)OCC,243.24,0.4318,60.9587,81.76,20,1,7,RQOWTODRZXBDQX-UHFFFAOYSA-N,C9H15N4O4,CCOC(=O)Nc1onn(c1)N1CCOCC1,"InChI=1S/C9H15N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3,(H,10,14)",-6.0541,-5.2384,-4.2525,-3.8628,-3.5611,-2.3336,1.5383,1.5490000000000002,2.0348,2.0414,2.6234,D01320_C01DX12,000644080000088003000c00000200082000220100000010820000001044000028000000001000d2100c002000100c000000400000081004001000000000021098011a00011002a000082000029c00800580004010003000000400000083000110000000000065009001010080010000000600c040600c002024400404000000,0100000030e001,018000000000000003000000000000000040000100000000000000000000000000000400c02a04,0000c0000000392170d424efab72b2af1f2b4eff1d,0,0,35,1,0,5,35,36,-14.337,-11.524000000000001,0,,9.18596e-06,+,0.5507,-,0.5507,https://www.genome.jp/dbget-bin/www_bget?dr:D01320
1608,D01135, Efloxate (JAN/INN), Other vasodilators used in cardiac diseases,C01DX13,CARDIOVASCULAR SYSTEM,c1(ccc2c(c1)oc(cc2=O)c1ccccc1)OCC(=O)OCC,324.327,3.4019,90.118,65.74,20,0,5,ZVXBAHLOGZCFTP-UHFFFAOYSA-N,C19H16O5,CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,"InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3",-4.4226,-3.1496,-2.9829,-1.4142,-1.2493,-1.2089,0.5734,0.6224,1.07,1.1217,1.5349,D01135_C01DX13,00000000400000400008820100620000600090083d00000400000080000400080000580800002014280a000800002400000082000202000e40080082004006000802080021002001880020000284804000c000411000040040080040006108024002804000000002204000800012000000020100080108200800200040204004,04000000703005,01000200000000000000900000000000400100000000a100000000000000000000004640402800,00000000000000218000000112190364894b83d71e,0,17,23,2,0,6,40,42,-9.457,-0.8009999999999999,0,1.0,0.657439411,+,0.9146,-,0.9146,https://www.genome.jp/dbget-bin/www_bget?dr:D01135
1609,D03507, Cinepazet maleate (USAN), Other vasodilators used in cardiac diseases,C01DX14,CARDIOVASCULAR SYSTEM,c1(/C=C/C(=O)N2CC[N@@H+](CC2)CC(=O)OCC)cc(c(c(c1)OC)OC)OC,393.454,1.5229,113.228,78.74,36,1,7,XDUOTWNXVDBCDY-VOTSOKGWSA-O,C20H29N2O6+,CCOC(=O)C[NH+]1CCN(CC1)C(=O)C=Cc1cc(OC)c(c(c1)OC)OC,"InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/p+1/b7-6+",-6.0315,-5.0462,-4.5145,-4.5126,-4.4733,-4.2228,1.7503,1.8081,2.3501,2.7381,3.1611,D03507_C01DX14,000300000040000409010600000240080100014000204a0000000080000400000800400221000012000e002800000000001a8200008009000401000200040230088008000b1010010120010002c0000200a0104000002000400840000000800108040000800014c20000000080100000000601840801002008a0004001000000,0500000070f005,110042020400000000009000120000000001000000000000000000000000000000000640c36a04,00000000000001008044325d8e78b3e789fbffff1f,0,6,49,3,0,10,57,58,-10.998,-4.342,0,,0.007938963,+,1.0101,-,1.0101,https://www.genome.jp/dbget-bin/www_bget?dr:D03507
1610,D07160, Cloridarol (INN), Other vasodilators used in cardiac diseases,C01DX15,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H](c1cc2c(o1)cccc2)O)Cl,258.7,4.1679,71.8388,33.37,12,1,2,KBFBRIPYVVGWRS-OAHLLOKOSA-N,C15H11ClO2,Clc1ccc(cc1)C(c1cc2c(o1)cccc2)O,"InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H/t15-/m1/s1",-4.1333,-1.0033,-0.8215,-0.6990000000000001,-0.5838,-0.514,0.4723,0.4745,0.5211,0.5823,0.9714,D07160_C01DX15,000402000000004002000201812000000000004814000404000000a0502040281000480000000000280100080000000000000000000000000000000200400000080008002000000084000000a404084200a800402800000840080800004100000002204100000000004000000002000000020100010108800000200000804000,0000002c00b001,00280000000000000000000000000000000000000004a000000000000000000000004600402004,00000000000000018000448050050000200581501e,0,16,15,0,0,2,29,31,-9.119,-0.115,1,1.0,0.47561109100000004,+,0.4161,-,0.4161,https://www.genome.jp/dbget-bin/www_bget?dr:D07160
1611,D01810, Nicorandil (JP17/USAN/INN), Other vasodilators used in cardiac diseases,C01DX16,CARDIOVASCULAR SYSTEM,c1ccc(cn1)C(=O)NCCO[N](=O)O,212.183,0.8252,49.6497,100.88,16,2,3,KWOOTBYKLXVIFD-UHFFFAOYSA-N,C8H10N3O4,O[N](=O)OCCNC(=O)c1cccnc1,"InChI=1S/C8H10N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)(H,13,14)",-6.1062,-4.9995,-4.158,-3.8399,-3.8347,-3.6257,1.5664,1.8741,2.0662,2.1187,2.6091,D01810_C01DX16,00020080000000800100060000014004000000800000000900000040000004000c00400000008022008e0408000000c0000008000000200004000002000002101c000c8800040000000000000288010001000041060020014002200000800010001000020840000000000000a0100400100600000041000040c880000a000010,0500000000f009,0000000000000000000080000a0000004001000000009000000000000000000000000640c02a00,00008000008001407180026eab72702b8e2f4e7f1f,0,6,17,2,0,6,25,25,-10.798,-1.27,0,1.0,0.031577043,-,0.337,-,0.337,https://www.genome.jp/dbget-bin/www_bget?dr:D01810
1612,D07161, Linsidomine (INN), Other vasodilators used in cardiac diseases,C01DX18,CARDIOVASCULAR SYSTEM,N1(CCOCC1)n1noc(c1)N,171.17700000000002,-0.0462,44.7694,69.45,14,1,5,HLJBZZLOFWUPLI-UHFFFAOYSA-N,C6H11N4O2,Nc1onn(c1)N1CCOCC1,"InChI=1S/C6H11N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5H,1-4,7H2",-5.3515,-5.0494,-5.0126,-2.332,-1.5814,-1.5768,1.4384,1.4677,1.4904,1.5236,1.7367,D07161_C01DX18,000204080000000000000c00000200080000020100000010800000001044000000000000001000d20000002000000c000000400000000004001000000000001098011800011002a000000000021c00000580004010002000000400000080000000000000000060009001000080010000000400c040600c002004000004000000,0100000030e001,008000000000004000000000000000000000000000000000000000000000000000000400c02204,000080000000392170d42ceeab70b08b1f234c791d,0,0,27,0,0,1,26,27,-14.378,-11.350999999999999,0,0.0,1.4601900000000002e-06,+,0.7429,-,0.7429,https://www.genome.jp/dbget-bin/www_bget?dr:D07161
1613,D00180, Alprostadil (JP17/USP/INN), Prostaglandins,C01EA01,CARDIOVASCULAR SYSTEM,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O)CCCCCCC(=O)O,354.481,3.4751,99.9614,94.83,38,3,5,GMVPRGQOIOIIMI-DWKJAMRDSA-N,C20H34O5,CCCCCC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",-4.2009,-4.0193,-3.4577,-2.9623,-2.8728,-2.2715,1.2854,1.3155,1.4139,1.9516,1.9722,D00180_C01EA01,00000000000002240000008100000000000000800040400000040000001020001000000000800001000a0000000000000100000210204000000000000000000008000800040400000000800008800214001000400002000000801000000000000204002800000000000000000000080000000000000800000000000100000500,1400002c00a003,172800000000010000008800000000000000000000000000000000000000000000000000432805,00000000000000000000008784082ec48d4ca6d618,0,0,56,3,0,13,59,59,-4.171,2.05,4,,0.000596886,-,1.743,-,1.743,https://www.genome.jp/dbget-bin/www_bget?dr:D00180
1614,D00180, Alprostadil (JP17/USP/INN), Drugs used in erectile dysfunction,G04BE01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O)CCCCCCC(=O)O,354.481,3.4751,99.9614,94.83,38,3,5,GMVPRGQOIOIIMI-DWKJAMRDSA-N,C20H34O5,CCCCCC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",-4.5393,-4.5065,-2.9995,-2.8765,-1.9223,-1.3379,1.0833,1.182,1.206,1.2314,2.3746,D00180_G04BE01,00000000000002240000008100000000000000800040400000040000001020001000000000800001000a0000000000000100000210204000000000000000000008000800040400000000800008800214001000400002000000801000000000000204002800000000000000000000080000000000000800000000000100000500,1400002c00a003,172800000000010000008800000000000000000000000000000000000000000000000000432805,00000000000000000000008784082ec48d4ca6d618,0,0,56,3,0,13,59,59,-4.171,2.05,4,,0.000596886,-,1.743,-,1.743,https://www.genome.jp/dbget-bin/www_bget?dr:D00180
1615,D02705, Alprostadil alfadex (JP17), Prostaglandins,C01EA01,CARDIOVASCULAR SYSTEM,[C@@H]1([C@@H]2O[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]3[C@@H]([C@H]([C@H](O2)[C@H](O3)CO)O)O)[C@H](O1)CO)O)O)CO)CO)CO)CO)O,972.8439999999999,-13.0548,194.3,474.9,90,18,30,HFHDHCJBZVLPGP-RWMJIURBSA-N,C36H60O30,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(C3O)O)CO,"InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1",-3.1705,-3.1702,-3.1696,-3.1678,-3.1660000000000004,-3.1614,2.12,2.1753,2.3930000000000002,2.4486,2.6019,D02705_C01EA01,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,132,0,0,6,126,132,-9.624,1.103,30,,5.67503e-05,+,10.5201,-,10.5201,https://www.genome.jp/dbget-bin/www_bget?dr:D02705
1616,D02705, Alprostadil alfadex (JP17), Drugs used in erectile dysfunction,G04BE01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]1([C@@H]2O[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]3[C@@H]([C@H]([C@H](O2)[C@H](O3)CO)O)O)[C@H](O1)CO)O)O)CO)CO)CO)CO)O,972.8439999999999,-13.0548,194.3,474.9,90,18,30,HFHDHCJBZVLPGP-RWMJIURBSA-N,C36H60O30,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(C3O)O)CO,"InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1",-3.1796,-3.1754,-3.1752,-3.1742,-3.1676,-3.1642,2.0483,2.1148,2.4426,2.4647,2.4849,D02705_G04BE01,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,132,0,0,6,126,132,-9.624,1.103,30,,5.67503e-05,+,10.5201,-,10.5201,https://www.genome.jp/dbget-bin/www_bget?dr:D02705
1617,D00098, Camphor (USP), Other cardiac preparations,C01EB02,CARDIOVASCULAR SYSTEM,[C@]12(C([C@@H](CC1=O)CC2)(C)C)C,152.233,2.4017,45.636,17.07,17,0,1,DSSYKIVIOFKYAU-XCBNKYQSSA-N,C10H16O,O=C1CC2C(C1(C)CC2)(C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",-3.0089,-0.2059,-0.2037,0.0,0.0,0.0,0.0,0.0,0.0,0.0216,0.257,D00098_C01EB02,0000000000000200000000010000000000000000000000000000000000000000100000000000000000020000000000000100000000200002000000000000000000000000000000000000000008800004001000400000000000000000000000000000000000000000000000000000000000000000000000000000000100000100,14000000002001,0f0000000000010000000000000000000000000000000000000000000000000000008000400805,00000000000000000202008000892cc00950b4821c,0,0,27,1,0,0,27,28,-10.192,0.8370000000000001,2,0.0,0.042375192,-,1.1999,-,1.1999,https://www.genome.jp/dbget-bin/www_bget?dr:D00098
1618,D06392, d-Camphor (JP17), Other cardiac preparations,C01EB02,CARDIOVASCULAR SYSTEM,[C@@]12(C([C@H](CC1=O)CC2)(C)C)C,152.233,2.4017,45.636,17.07,17,0,1,DSSYKIVIOFKYAU-OIBJUYFYSA-N,C10H16O,O=C1CC2C(C1(C)CC2)(C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",-3.0042,-0.2061,-0.2036,0.0,0.0,0.0,0.0,0.0,0.0,0.0216,0.257,D06392_C01EB02,0000000000000200000000010000000000000000000000000000000000000000100000000000000000020000000000000100000000200002000000000000000000000000000000000000000008800004001000400000000000000000000000000000000000000000000000000000000000000000000000000000000100000100,14000000002001,0f0000000000010000000000000000000000000000000000000000000000000000008000400805,00000000000000000202008000892cc00950b4821c,0,0,27,1,0,0,27,28,-10.195,0.836,2,-1.0,0.043076243,-,1.1999,-,1.1999,https://www.genome.jp/dbget-bin/www_bget?dr:D06392
1619,D00141, Indomethacin (USP), Other cardiac preparations,C01EB03,CARDIOVASCULAR SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5648,-4.4081,-3.2657,-1.3334,-1.0648,-1.0270000000000001,0.8306,0.9472,1.4687,1.5157,2.3772,D00141_C01EB03,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.368,1.261,0,,0.0008276760000000001,+,1.1284,-,1.1284,https://www.genome.jp/dbget-bin/www_bget?dr:D00141
1620,D00141, Indomethacin (USP), Acetic acid derivatives and related substances,M01AB01,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5699,-4.383,-3.2879,-1.3326,-1.0645,-1.0216,0.8778,0.9452,1.4628,1.5196,2.3599,D00141_M01AB01,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.368,1.261,0,,0.0008276760000000001,+,1.1284,-,1.1284,https://www.genome.jp/dbget-bin/www_bget?dr:D00141
1621,D00141, Indomethacin (USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA23,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5934,-4.3768,-3.3089,-1.3328,-1.0647,-1.0226,0.87,0.9532,1.4628,1.5175,2.3875,D00141_M02AA23,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.368,1.261,0,,0.0008276760000000001,+,1.1284,-,1.1284,https://www.genome.jp/dbget-bin/www_bget?dr:D00141
1622,D00141, Indomethacin (USP)," Antiinflammatory agents, non-steroids",S01BC01,SENSORY ORGANS,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5619,-4.4297,-3.2784,-1.3358,-1.0633,-1.0268,0.8276,0.9528,1.4677,1.5153,2.3812,D00141_S01BC01,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.368,1.261,0,,0.0008276760000000001,+,1.1284,-,1.1284,https://www.genome.jp/dbget-bin/www_bget?dr:D00141
1623,D01565, Indometacin farnesil (JAN), Other cardiac preparations,C01EB03,CARDIOVASCULAR SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,562.139,8.8051,166.31799999999998,57.53,44,0,5,CFIGYZZVJNJVDQ-LMJOQDENSA-N,C34H40ClNO4,COc1ccc2c(c1)c(CC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+",-4.5537,-3.2806,-3.0084,-1.8183,-1.1957,-1.1555,0.8486,0.8504,1.43,1.51,1.5659999999999998,D01565_C01EB03,30048200002204844b080600040200040000009000405608000500c0003424001400508100c08021188f021820000140010202001004282504008083000083180c000c0241040ec1008060006688020300b8414004000048c0381800000050804214000800200c0600080000605015001807015088011020080a00010a800400,04000000703005,130002000000000000009000120000000001000000048800000000000000000000004640403801,0000000000000200010e5498543d3de7a9d9bfff1f,0,16,61,5,0,14,80,82,-8.836,-0.7879999999999999,0,-1.0,0.998088419,+,2.985,-,2.985,https://www.genome.jp/dbget-bin/www_bget?dr:D01565
1624,D01565, Indometacin farnesil (JAN), Acetic acid derivatives and related substances,M01AB01,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,562.139,8.8051,166.31799999999998,57.53,44,0,5,CFIGYZZVJNJVDQ-LMJOQDENSA-N,C34H40ClNO4,COc1ccc2c(c1)c(CC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+",-4.2669,-3.3593,-3.0208,-1.7953,-1.2015,-1.1357,0.8543,0.9451,1.4269999999999998,1.5237,1.5328,D01565_M01AB01,30048200002204844b080600040200040000009000405608000500c0003424001400508100c08021188f021820000140010202001004282504008083000083180c000c0241040ec1008060006688020300b8414004000048c0381800000050804214000800200c0600080000605015001807015088011020080a00010a800400,04000000703005,130002000000000000009000120000000001000000048800000000000000000000004640403801,0000000000000200010e5498543d3de7a9d9bfff1f,0,16,61,5,0,14,80,82,-8.836,-0.7879999999999999,0,-1.0,0.998088419,+,2.985,-,2.985,https://www.genome.jp/dbget-bin/www_bget?dr:D01565
1625,D01565, Indometacin farnesil (JAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA23,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,562.139,8.8051,166.31799999999998,57.53,44,0,5,CFIGYZZVJNJVDQ-LMJOQDENSA-N,C34H40ClNO4,COc1ccc2c(c1)c(CC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+",-4.2428,-3.2791,-3.0075,-1.8082,-1.1953,-1.1532,0.8484,0.8533,1.4107,1.5078,1.5398,D01565_M02AA23,30048200002204844b080600040200040000009000405608000500c0003424001400508100c08021188f021820000140010202001004282504008083000083180c000c0241040ec1008060006688020300b8414004000048c0381800000050804214000800200c0600080000605015001807015088011020080a00010a800400,04000000703005,130002000000000000009000120000000001000000048800000000000000000000004640403801,0000000000000200010e5498543d3de7a9d9bfff1f,0,16,61,5,0,14,80,82,-8.836,-0.7879999999999999,0,-1.0,0.998088419,+,2.985,-,2.985,https://www.genome.jp/dbget-bin/www_bget?dr:D01565
1626,D01565, Indometacin farnesil (JAN)," Antiinflammatory agents, non-steroids",S01BC01,SENSORY ORGANS,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,562.139,8.8051,166.31799999999998,57.53,44,0,5,CFIGYZZVJNJVDQ-LMJOQDENSA-N,C34H40ClNO4,COc1ccc2c(c1)c(CC(=O)OCC=C(CCC=C(CCC=C(C)C)C)C)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+",-4.2484,-3.2801,-3.0263,-1.8245,-1.2889,-1.1406,0.8521,0.8573,1.4419,1.5252,1.5421,D01565_S01BC01,30048200002204844b080600040200040000009000405608000500c0003424001400508100c08021188f021820000140010202001004282504008083000083180c000c0241040ec1008060006688020300b8414004000048c0381800000050804214000800200c0600080000605015001807015088011020080a00010a800400,04000000703005,130002000000000000009000120000000001000000048800000000000000000000004640403801,0000000000000200010e5498543d3de7a9d9bfff1f,0,16,61,5,0,14,80,82,-8.836,-0.7879999999999999,0,-1.0,0.998088419,+,2.985,-,2.985,https://www.genome.jp/dbget-bin/www_bget?dr:D01565
1627,D02110, Indomethacin sodium (USP), Other cardiac preparations,C01EB03,CARDIOVASCULAR SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5919,-4.3892,-3.3224,-1.3349,-1.0693,-1.0225,0.9890000000000001,1.0636,1.4672,1.5183,2.3865,D02110_C01EB03,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.37,1.262,0,1.0,0.000827025,+,1.1074,-,1.1074,https://www.genome.jp/dbget-bin/www_bget?dr:D02110
1628,D02110, Indomethacin sodium (USP), Acetic acid derivatives and related substances,M01AB01,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5556,-4.4286,-3.2863,-1.3345,-1.064,-1.026,0.8172,0.8458,1.4674,1.5125,2.3772,D02110_M01AB01,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.37,1.262,0,1.0,0.000827025,+,1.1074,-,1.1074,https://www.genome.jp/dbget-bin/www_bget?dr:D02110
1629,D02110, Indomethacin sodium (USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA23,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5637,-4.3945,-3.3245,-1.3311,-1.0634,-1.023,0.9393,0.9609,1.4566,1.5142,2.3758,D02110_M02AA23,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.37,1.262,0,1.0,0.000827025,+,1.1074,-,1.1074,https://www.genome.jp/dbget-bin/www_bget?dr:D02110
1630,D02110, Indomethacin sodium (USP)," Antiinflammatory agents, non-steroids",S01BC01,SENSORY ORGANS,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)O,357.788,3.9273,96.1213,68.53,19,1,5,CGIGDMFJXJATDK-UHFFFAOYSA-N,C19H16ClNO4,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",-4.5462,-4.4639,-3.2923,-1.3378,-1.065,-1.0208,0.8836,0.9492,1.4678,1.5098,2.3816,D02110_S01BC01,20040200002204804b080600040200040000001000001608000100c0002004001400508100408021188f021800000040000202000004280104008083000081180c000c0241000ec1008060006688000300b8014004000008c0080800000050800010000000200c0600000000605004001807015088011020080a00000a800000,0400000c50b003,030002000000000000008800120000000001000000048800000000000000000000004640403800,000000000000000001045498d0251967a8cdbbfe1f,0,16,25,2,0,5,41,43,-4.37,1.262,0,1.0,0.000827025,+,1.1074,-,1.1074,https://www.genome.jp/dbget-bin/www_bget?dr:D02110
1631,D07162, Creatinolfosfate (INN), Other cardiac preparations,C01EB05,CARDIOVASCULAR SYSTEM,P(=O)(O)(O)OCCN(C(=[NH2])N)C,198.137,-0.0648,43.5709,131.85,18,4,6,XNTGRZFLIRNUPC-UHFFFAOYSA-N,C4H13N3O4P,NC(=[NH2])N(CCOP(=O)(O)O)C,"InChI=1S/C4H13N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3,5-6H2,1H3,(H2,8,9,10)",-12.4486,-12.3948,-10.5722,-10.5673,-10.224,-9.1024,4.2329,4.2429,5.0547,5.0586,5.5655,D07162_C01EB05,008200000000000000000400100000000000010000000042000000000000000000000000000000220008010400000000022000000000000000000000a0000c20080418000000040020000200000200000000004000002000020000000000000000200000004000000000000084000000000c0000000000000000000000000000,0000000000a000,0000c0000000000000000000000000000040000000000000000000000010200000000000402800,00000011008400001030385628d26c2a0e2e4efd09,0,0,22,2,0,5,25,24,-2.295,-0.008,0,0.0,,-,0.4604,-,0.4604,https://www.genome.jp/dbget-bin/www_bget?dr:D07162
1632,D00114, Fructose (JP17/USP), Other cardiac preparations,C01EB07,CARDIOVASCULAR SYSTEM,OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O,180.15599999999998,-3.3772,36.965,118.22,18,5,6,BJHIKXHVCXFQLS-UYFOZJQFSA-N,C6H12O6,OCC(C(C(C(=O)CO)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",-2.9596,-2.3598,-2.3151,-1.931,-1.9177,-1.8981,1.5678,1.5848,2.3475,2.3857,2.4172,D00114_C01EB07,0000000000000000000000000000000000000000000000000000000000000000100000000000000500020000000000000100000000204001000000000000000008000800000000000000800220800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,1400003c00a000,003800000001010000000000000000000000000000000000000000000000000000000000402804,000000000000300080000207801000000c0e825708,0,0,22,1,0,5,24,23,-10.534,0.332,3,0.0,,+,0.6231,-,0.6231,https://www.genome.jp/dbget-bin/www_bget?dr:D00114
1633,D00114, Fructose (JP17/USP), Carbohydrates,V06DC02,VARIOUS,OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O,180.15599999999998,-3.3772,36.965,118.22,18,5,6,BJHIKXHVCXFQLS-UYFOZJQFSA-N,C6H12O6,OCC(C(C(C(=O)CO)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1",-2.9935,-2.3619,-2.3458,-2.3093,-1.9231,-1.9141,1.9446,1.95,1.9579,2.2918,2.376,D00114_V06DC02,0000000000000000000000000000000000000000000000000000000000000000100000000000000500020000000000000100000000204001000000000000000008000800000000000000800220800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,1400003c00a000,003800000001010000000000000000000000000000000000000000000000000000000000402804,000000000000300080000207801000000c0e825708,0,0,22,1,0,5,24,23,-10.534,0.332,3,0.0,,+,0.6231,-,0.6231,https://www.genome.jp/dbget-bin/www_bget?dr:D00114
1634,D01065, Ubidecarenone (JP17/INN), Other cardiac preparations,C01EB09,CARDIOVASCULAR SYSTEM,C(C=C(C)C)C/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)OC)C)/C)/C)/C)/C)/C)/C)/C)/C)/C,863.3430000000001,17.8539,280.495,52.6,94,0,4,ACTIUHUUMQJHFO-FBXRWINUSA-N,C59H90O4,COC1=C(OC)C(=O)C(=C(C1=O)CC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34-,50-36-,51-38+,52-40+,53-42+",-3.6173,-3.6168,-1.1518,-1.1512,-1.1438,-1.0972,0.8869,0.8925,0.9468,0.978,1.0538,D01065_C01EB09,00000000000000041000008000420100000000804052400000000080000060001008000000a000018002000001000000018002020000650000000080000080000804080004040002000000000080028400d040400002000848001000000000010204000280020000000000000000090000010900000800000000000102000000,14000000302001,130000000000010000020000000000004001000000000000000000000000000000000040407000,0000000000000200800a001104082ce08158b6d61c,0,0,139,14,0,31,153,153,-9.09,-1.6219999999999999,0,,0.99999696,+,14.5514,-,14.5514,https://www.genome.jp/dbget-bin/www_bget?dr:D01065
1635,D00045, Adenosine (JAN/USP), Other cardiac preparations,C01EB10,CARDIOVASCULAR SYSTEM,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,267.241,-1.3988,62.6738,139.54,21,4,9,OIRDTQYFTABQOQ-KQYNXXCUSA-N,C10H13N5O4,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",-5.1215,-5.1187,-3.8165,-3.1143,-2.9907,-2.8509,1.7444,1.795,2.0893,2.3595,2.55,D00045_C01EB10,c0000000000028c00000460008020000700000100002000002000040000400101400000c400080275000001020000880011020800000c01900000000200020000cc01e10801008000001880300100000049001400c80000cb00080010001400000080000008c000000c00000e000380020060988000008800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000009800000000000000000000004601403804,000000002000302181d41ecf133190435c6dea7d1f,0,10,24,0,0,2,32,34,-9.085,-0.209,4,1.0,0.001219942,+,1.4932,-,1.4932,https://www.genome.jp/dbget-bin/www_bget?dr:D00045
1636,D02769, Adenosine phosphate (USAN/INN), Other cardiac preparations,C01EB10,CARDIOVASCULAR SYSTEM,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O,347.221,-1.2818,73.5841,195.88,23,5,12,UDMBCSSLTHHNCD-KQYNXXCUSA-N,C10H14N5O7P,OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",-10.5437,-10.5356,-10.2812,-7.5045,-5.1264,-5.112,2.9949,3.0334,3.4152,3.4908,5.0515,D02769_C01EB10,c0800000000068c11400460008020000700001100002000e02000040000400101400000c400080275008001420000880035020800000c0190000000020002a000cca1e108010080020018a0300100000049001400c80000cb0008001004140000008000000cc000000c00000e4003800200e0989100508800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000009800000000000010200000004601403804,000000102084202191d41ccf33b3906b5e6dea7d1f,0,10,28,1,0,4,37,39,0.271,3.3760000000000003,4,0.0,4.2736800000000005e-16,-,1.2759,-,1.2759,https://www.genome.jp/dbget-bin/www_bget?dr:D02769
1637,D08646, Triphosadenine (DCF), Other cardiac preparations,C01EB10,CARDIOVASCULAR SYSTEM,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O,507.181,-1.0478,95.4047,308.56,29,7,18,ZKHQWZAMYRWXGA-KQYNXXCUSA-N,C10H16N5O13P3,OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",-10.536,-10.5302,-10.5163,-10.4714,-10.2442,-10.238,5.0623,5.078,5.0877,6.0064,11.7487,D08646_C01EB10,c2a00040800068c11400460008020000700005100002000e02010040000400501400000c400080275008001420000880035020800000c0190a00000020002a010cca1e108010080020018a0300100000049001480c80000cb0008001004140008008000000cc800020c01200e4003800200e0989100548a00018c0010a080000,0000002c30b021,002800080001000000000000000000010000000000009800000000000000200000004601443804,000000102084302191d41ccf33b3906bde6dea7d1f,0,10,36,3,0,8,47,49,5.212000000000001,6.297999999999999,4,1.0,1.64937e-38,-,2.4914,-,2.4914,https://www.genome.jp/dbget-bin/www_bget?dr:D08646
1638,D07164, Tiracizine (INN), Other cardiac preparations,C01EB11,CARDIOVASCULAR SYSTEM,c12N(c3c(CCc1cccc2)ccc(c3)NC(=O)OCC)C(=O)C[NH+](C)C,368.449,2.3008,111.008,63.08,31,2,4,KJAMZCVTJDTESW-UHFFFAOYSA-O,C21H26N3O3+,CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](C)C)c1ccccc1CC2,"InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)/p+1",-6.0152,-5.2716,-5.0325,-4.6323,-4.6209,-4.4746,1.6134,1.7656,1.9303,2.0717,2.8707,D07164_C01EB11,00070020804000000300268000828808801000001804000202001080000808001200400002200020100e102800011040010040000a0800080000800200c02600080018004000020000a010000080000010a0004024003808400a4800042a00004000000010080000400000000080000800060140200100000008400002400000,0500000030f001,030040020400000000008000120000000040000100000000000000000000000000004600c02a00,000044000000010000c6325a18733627dcb35fff1f,0,12,41,2,0,7,53,55,-12.130999999999998,-4.328,0,-1.0,0.046910513,+,0.8879,-,0.8879,https://www.genome.jp/dbget-bin/www_bget?dr:D07164
1639,D02742, Acadesine (USAN/INN), Other cardiac preparations,C01EB13,CARDIOVASCULAR SYSTEM,[C@@H]1([C@@H](O[C@@H]([C@H]1O)CO)n1c(c(nc1)C(=O)N)N)O,258.231,-1.5428,57.6727,156.85,22,5,9,RTRQQBHATOEIAF-UUOKFMHZSA-N,C9H14N4O5,OCC1OC(C(C1O)O)n1cnc(c1N)C(=O)N,"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1",-6.0431,-4.9912,-4.9479,-4.8036,-4.2288,-4.2107,2.3297,2.3569999999999998,2.4142,2.4875,2.5213,D02742_C01EB13,088000c0000008c0010046400d020000700000100000000002040040100404101804300c004000271006141020000884011020c00020c09900000082200820000c801e0080100a000001b803009000000098014008800944b000844100010000011800000048400000000100e000380030040180000000800010400106000008,0400003c30b021,003800080001000000008000060000004002000000009800000000000000000000000641403804,000000002000302181d41ecf013090435cedea7f1b,0,5,27,1,0,3,32,33,-8.479,-0.099,4,,0.000967235,+,0.9742,-,0.9742,https://www.genome.jp/dbget-bin/www_bget?dr:D02742
1640,D08642, Trimetazidine (INN), Other cardiac preparations,C01EB15,CARDIOVASCULAR SYSTEM,c1c(c(c(c(c1)OC)OC)OC)C[NH+]1CC[NH2+]CC1,268.35200000000003,1.8127,83.4511,48.74,27,2,3,UHWVSEOVJBQKBE-UHFFFAOYSA-P,C14H24N2O3++,COc1c(ccc(c1OC)OC)C[NH+]1CC[NH2+]CC1,"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3/p+2",-6.0173,-5.7994,-5.6828,-5.6712,-4.5498,-4.5295,1.8033,1.8277,2.051,2.3485,2.3593,D08642_C01EB15,000200000000040408000600000300080000008000002200000000c00000000000804402200000000080002800000000000a020000000800040000020000000008a00000010400010020000002480000008000400000200840081100000000000014000200000442000100000010000000060104080100200800004401000000,0100000050f001,000042030400000000000000000000000000000000000000000000000000000000000600c02200,000000000000210080443a158b48a1e305f3fff51f,0,6,38,0,0,5,43,44,-14.5,-8.158,0,-1.0,1.0277799999999999e-10,+,0.4632,-,0.4632,https://www.genome.jp/dbget-bin/www_bget?dr:D08642
1641,D01606, Trimetazidine hydrochloride (JP17), Other cardiac preparations,C01EB15,CARDIOVASCULAR SYSTEM,c1c(c(c(c(c1)OC)OC)OC)C[NH+]1CC[NH2+]CC1,268.35200000000003,1.8127,83.4511,48.74,27,2,3,UHWVSEOVJBQKBE-UHFFFAOYSA-P,C14H24N2O3++,COc1c(ccc(c1OC)OC)C[NH+]1CC[NH2+]CC1,"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3/p+2",-5.9671,-5.8464,-5.6724,-5.6645,-4.5634,-4.5515,1.8077,1.8221,2.1029,2.3473,2.3489,D01606_C01EB15,000200000000040408000600000300080000008000002200000000c00000000000804402200000000080002800000000000a020000000800040000020000000008a00000010400010020000002480000008000400000200840081100000000000014000200000442000100000010000000060104080100200800004401000000,0100000050f001,000042030400000000000000000000000000000000000000000000000000000000000600c02200,000000000000210080443a158b48a1e305f3fff51f,0,6,38,0,0,5,43,44,-14.508,-8.157,0,2.0,1.0275e-10,+,0.4632,-,0.4632,https://www.genome.jp/dbget-bin/www_bget?dr:D01606
1642,D00126, Ibuprofen (JP17/USP/INN), Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5691,-4.4435,-1.8843,-0.7962,-0.6833,-0.5345,0.4424,0.45899999999999996,0.4709,1.2737,2.404,D00126_C01EB16,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8080000000000003,1,,2.20315e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D00126
1643,D00126, Ibuprofen (JP17/USP/INN), Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5712,-4.413,-1.8657,-0.7996,-0.6826,-0.5395,0.4128,0.4593,0.474,1.2791,2.3937,D00126_G02CC01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8080000000000003,1,,2.20315e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D00126
1644,D00126, Ibuprofen (JP17/USP/INN), Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5658,-4.4401,-1.8671,-0.7998,-0.6835,-0.5416,0.4198,0.4597,0.4733,1.2763,2.3956,D00126_M01AE01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8080000000000003,1,,2.20315e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D00126
1645,D00126, Ibuprofen (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5728,-4.4030000000000005,-1.8674,-0.8013,-0.6824,-0.5372,0.3851,0.4601,0.4703,1.2826,2.3938,D00126_M02AA13,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8080000000000003,1,,2.20315e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D00126
1646,D00126, Ibuprofen (JP17/USP/INN), Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5459,-4.4426,-1.3358,-0.785,-0.69,-0.5322,0.4712,0.4775,0.5986,1.2659,2.3799,D00126_R02AX02,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8080000000000003,1,,2.20315e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D00126
1647,D01122, Ibuprofen piconol (JP17/USAN), Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,c1c(nccc1)COC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,297.39099999999996,4.127,88.78299999999999,39.19,26,0,3,ACEWLPOYLGNNHV-OAHLLOKOSA-N,C19H23NO2,CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C,"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1",-4.4401,-2.9775,-1.8203,-1.5344,-1.4181,-1.2911,0.6709999999999999,1.1398,1.1936,1.2691,1.5399,D01122_C01EB16,000400020020004002040200040200040000000040000800002000800004000010014000021080a1208a001820010140010040000000200400008002008002080c000c02000006400000010000880001009800400400100840080800000b00004000000000000000004000007000040000020110004100020000000002000000,04000000303005,070000000000000000009000000000000000000000009000000000000000000000000600402805,00000000000000000102004002580425001111df1f,0,12,33,1,0,7,45,46,-9.691,0.032,1,,0.531583726,+,0.7782,+,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D01122
1648,D01122, Ibuprofen piconol (JP17/USAN), Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(nccc1)COC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,297.39099999999996,4.127,88.78299999999999,39.19,26,0,3,ACEWLPOYLGNNHV-OAHLLOKOSA-N,C19H23NO2,CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C,"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1",-4.4331,-2.9923,-1.8232,-1.5402,-1.3674,-1.2633,0.6697,1.0827,1.1334,1.2674,1.5341,D01122_G02CC01,000400020020004002040200040200040000000040000800002000800004000010014000021080a1208a001820010140010040000000200400008002008002080c000c02000006400000010000880001009800400400100840080800000b00004000000000000000004000007000040000020110004100020000000002000000,04000000303005,070000000000000000009000000000000000000000009000000000000000000000000600402805,00000000000000000102004002580425001111df1f,0,12,33,1,0,7,45,46,-9.691,0.032,1,,0.531583726,+,0.7782,+,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D01122
1649,D01122, Ibuprofen piconol (JP17/USAN), Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,c1c(nccc1)COC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,297.39099999999996,4.127,88.78299999999999,39.19,26,0,3,ACEWLPOYLGNNHV-OAHLLOKOSA-N,C19H23NO2,CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C,"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1",-4.4216,-2.9892,-1.8295,-1.5559,-1.4162,-1.2839,0.6734,1.0503,1.2729,1.3304,1.5378,D01122_M01AE01,000400020020004002040200040200040000000040000800002000800004000010014000021080a1208a001820010140010040000000200400008002008002080c000c02000006400000010000880001009800400400100840080800000b00004000000000000000004000007000040000020110004100020000000002000000,04000000303005,070000000000000000009000000000000000000000009000000000000000000000000600402805,00000000000000000102004002580425001111df1f,0,12,33,1,0,7,45,46,-9.691,0.032,1,,0.531583726,+,0.7782,+,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D01122
1650,D01122, Ibuprofen piconol (JP17/USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,c1c(nccc1)COC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,297.39099999999996,4.127,88.78299999999999,39.19,26,0,3,ACEWLPOYLGNNHV-OAHLLOKOSA-N,C19H23NO2,CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C,"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1",-4.5485,-2.9589,-1.8353,-1.5536,-1.5517,-1.271,0.6732,1.0901,1.2848,1.5390000000000001,1.5418,D01122_M02AA13,000400020020004002040200040200040000000040000800002000800004000010014000021080a1208a001820010140010040000000200400008002008002080c000c02000006400000010000880001009800400400100840080800000b00004000000000000000004000007000040000020110004100020000000002000000,04000000303005,070000000000000000009000000000000000000000009000000000000000000000000600402805,00000000000000000102004002580425001111df1f,0,12,33,1,0,7,45,46,-9.691,0.032,1,,0.531583726,+,0.7782,+,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D01122
1651,D01122, Ibuprofen piconol (JP17/USAN), Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,c1c(nccc1)COC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,297.39099999999996,4.127,88.78299999999999,39.19,26,0,3,ACEWLPOYLGNNHV-OAHLLOKOSA-N,C19H23NO2,CC(Cc1ccc(cc1)C(C(=O)OCc1ccccn1)C)C,"InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1",-4.5752,-2.9245,-2.1501,-1.8161,-1.5659,-1.2127,0.6711,1.2385,1.3696,1.5376,1.6540000000000001,D01122_R02AX02,000400020020004002040200040200040000000040000800002000800004000010014000021080a1208a001820010140010040000000200400008002008002080c000c02000006400000010000880001009800400400100840080800000b00004000000000000000004000007000040000020110004100020000000002000000,04000000303005,070000000000000000009000000000000000000000009000000000000000000000000600402805,00000000000000000102004002580425001111df1f,0,12,33,1,0,7,45,46,-9.691,0.032,1,,0.531583726,+,0.7782,+,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D01122
1652,D06606, Ibuprofen lysine (USAN), Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5760000000000005,-4.4088,-1.8662,-0.7998,-0.6811,-0.5389,0.4467,0.4595,0.4788,1.2763,2.3939,D06606_C01EB16,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.806,1,1.0,2.20409e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D06606
1653,D06606, Ibuprofen lysine (USAN), Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5618,-4.4409,-1.8666,-0.7993,-0.6824,-0.5399,0.4181,0.4594,0.4845,1.2735,2.3936,D06606_G02CC01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.806,1,1.0,2.20409e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D06606
1654,D06606, Ibuprofen lysine (USAN), Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5718,-4.4159,-1.8717,-0.8,-0.6818,-0.5391,0.3889,0.4597,0.4781,1.2782,2.3963,D06606_M01AE01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.806,1,1.0,2.20409e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D06606
1655,D06606, Ibuprofen lysine (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5711,-4.4275,-1.8673,-0.8009,-0.6841,-0.5398,0.4162,0.4602,0.4706,1.2803,2.3947,D06606_M02AA13,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.806,1,1.0,2.20409e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D06606
1656,D06606, Ibuprofen lysine (USAN), Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5571,-4.4018,-1.3336,-0.7851,-0.688,-0.5328,0.4726,0.4771,0.5989,1.2677,2.3761,D06606_R02AX02,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.806,1,1.0,2.20409e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D06606
1657,D08058, Ibuprofen arginine salt, Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5593,-4.3983,-1.3325,-0.7864,-0.6893,-0.5329999999999999,0.474,0.4746,0.5989,1.2716,2.3759,D08058_C01EB16,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8,1,1.0,2.20296e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D08058
1658,D08058, Ibuprofen arginine salt, Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5631,-4.4430000000000005,-1.8656,-0.7991,-0.6832,-0.5416,0.4152,0.4592,0.4743,1.2749,2.3954,D08058_G02CC01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8,1,1.0,2.20296e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D08058
1659,D08058, Ibuprofen arginine salt, Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5472,-4.4329,-1.3349,-0.7848,-0.6895,-0.5324,0.4721,0.4783,0.598,1.2664,2.379,D08058_M01AE01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8,1,1.0,2.20296e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D08058
1660,D08058, Ibuprofen arginine salt," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5895,-4.3762,-1.8639,-0.7876,-0.6873,-0.5554,0.4614,0.4693,0.4825,1.2785,2.398,D08058_M02AA13,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8,1,1.0,2.20296e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D08058
1661,D08058, Ibuprofen arginine salt, Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.588,-4.37,-1.8667,-0.7909999999999999,-0.6842,-0.5324,0.4464,0.4566,0.5361,1.2779,2.3936,D08058_R02AX02,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8,1,1.0,2.20296e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D08058
1662,D08059, Ibuprofen sodium, Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5483,-4.4131,-1.3358,-0.7938,-0.6856,-0.5353,0.452,0.5398,0.6137,1.2701,2.3674,D08059_C01EB16,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.801,1,1.0,2.2038099999999998e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D08059
1663,D08059, Ibuprofen sodium, Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5653,-4.4397,-1.8757,-0.7997,-0.6823,-0.5385,0.3898,0.4598,0.4761,1.2758,2.3994,D08059_G02CC01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.801,1,1.0,2.2038099999999998e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D08059
1664,D08059, Ibuprofen sodium, Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5484,-4.433,-1.3352,-0.787,-0.6893,-0.5317,0.4717,0.4723,0.601,1.2676,2.3773,D08059_M01AE01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.801,1,1.0,2.2038099999999998e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D08059
1665,D08059, Ibuprofen sodium," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5629,-4.4412,-1.8707,-0.7999,-0.6836,-0.5441,0.4185,0.4213,0.46,1.2772,2.3956,D08059_M02AA13,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.801,1,1.0,2.2038099999999998e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D08059
1666,D08059, Ibuprofen sodium, Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5466,-4.4334,-1.3367,-0.7937,-0.6877,-0.5345,0.4529,0.47200000000000003,0.6118,1.2709,2.3712,D08059_R02AX02,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.801,1,1.0,2.2038099999999998e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D08059
1667,D09760, Ibuprofen sodium (USAN), Other cardiac preparations,C01EB16,CARDIOVASCULAR SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5443,-4.4355,-1.3348,-0.7859999999999999,-0.6890000000000001,-0.5328,0.4755,0.4798,0.5997,1.2664,2.3777,D09760_C01EB16,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8089999999999997,1,-1.0,2.20378e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D09760
1668,D09760, Ibuprofen sodium (USAN), Antiinflammatory products for vaginal administration,G02CC01,GENITO URINARY SYSTEM AND SEX HORMONES,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5723,-4.4141,-1.8627,-0.7986,-0.6819,-0.54,0.4528,0.4589,0.4861,1.2766,2.395,D09760_G02CC01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8089999999999997,1,-1.0,2.20378e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D09760
1669,D09760, Ibuprofen sodium (USAN), Propionic acid derivatives,M01AE01,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5564,-4.4048,-1.3338,-0.7862,-0.6884,-0.5324,0.4753,0.4761,0.6001,1.2690000000000001,2.3755,D09760_M01AE01,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8089999999999997,1,-1.0,2.20378e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D09760
1670,D09760, Ibuprofen sodium (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA13,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5752,-4.4115,-1.8918,-0.8006,-0.679,-0.5381,0.4046,0.4607,0.4737,1.2775,2.4044,D09760_M02AA13,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8089999999999997,1,-1.0,2.20378e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D09760
1671,D09760, Ibuprofen sodium (USAN), Other throat preparetions,R02AX02,RESPIRATORY SYSTEM,OC(=O)[C@@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-SNVBAGLBSA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-4.5698,-4.4173,-1.8673,-0.8009,-0.6824,-0.5371,0.3845,0.4598,0.4671,1.2795,2.3948,D09760_R02AX02,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.314,3.8089999999999997,1,-1.0,2.20378e-05,-,0.7342,+,0.7342,https://www.genome.jp/dbget-bin/www_bget?dr:D09760
1672,D07165, Ivabradine (INN), Other cardiac preparations,C01EB17,CARDIOVASCULAR SYSTEM,c1(c(cc2c(c1)C[C@@H]2C[N@@H+](CCCN1C(=O)Cc2c(CC1)cc(c(c2)OC)OC)C)OC)OC,469.593,1.8308,137.188,61.67,43,1,6,ACRHBAYQBXXRTO-OAQYLSRUSA-O,C27H37N2O5+,COc1cc2CC(c2cc1OC)C[NH+](CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C,"InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/p+1/t21-/m1/s1",-6.0428,-4.5945,-4.5272,-4.5222,-3.8494,-3.8177,1.4618,1.5649,1.5734,1.5824,1.8289,D07165_C01EB17,00270000002000001b000600000200040000011000001200000100800000000018004081004000000006b818000100000102020000000800000010020002000008800400010000410000202002c000010090804000003008e0090800800800000500002000000402000000c02010000000060100080150200816004200000000,0500000050f001,060042020400000000008000200000000000000000000000000000000000000000004600c02a05,00040400000001008084321a98693de309fbffff1f,0,12,61,1,0,10,71,74,-10.547,-3.8710000000000004,2,1.0,0.43459454200000003,+,2.2451,-,2.2451,https://www.genome.jp/dbget-bin/www_bget?dr:D07165
1673,D08095, Ivabradine hydrochloride, Other cardiac preparations,C01EB17,CARDIOVASCULAR SYSTEM,c1(c(cc2c(c1)C[C@@H]2C[N@@H+](CCCN1C(=O)Cc2c(CC1)cc(c(c2)OC)OC)C)OC)OC,469.593,1.8308,137.188,61.67,43,1,6,ACRHBAYQBXXRTO-OAQYLSRUSA-O,C27H37N2O5+,COc1cc2CC(c2cc1OC)C[NH+](CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C,"InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/p+1/t21-/m1/s1",-5.9591,-4.6129,-4.6052,-4.5369,-3.9295,-3.6745,1.5594,1.5830000000000002,1.5886,2.3856,2.4834,D08095_C01EB17,00270000002000001b000600000200040000011000001200000100800000000018004081004000000006b818000100000102020000000800000010020002000008800400010000410000202002c000010090804000003008e0090800800800000500002000000402000000c02010000000060100080150200816004200000000,0500000050f001,060042020400000000008000200000000000000000000000000000000000000000004600c02a05,00040400000001008084321a98693de309fbffff1f,0,12,61,1,0,10,71,74,-10.555,-3.8560000000000003,2,0.0,0.434847921,+,2.2451,-,2.2451,https://www.genome.jp/dbget-bin/www_bget?dr:D08095
1674,D05700, Ranolazine (USAN/INN), Other cardiac preparations,C01EB18,CARDIOVASCULAR SYSTEM,c1(c(cccc1)OC)OC[C@@H](C[N@@H+]1CC[N@@H+](CC1)CC(=O)Nc1c(cccc1C)C)O,429.55199999999996,2.6852,131.436,76.67,40,4,5,XKLMZUWKNUAPSZ-HXUWFJFHSA-P,C24H35N3O4++,COc1ccccc1OCC(C[NH+]1CC[NH+](CC1)CC(=O)Nc1c(C)cccc1C)O,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/p+2/t20-/m1/s1",-6.0392,-6.0163,-4.9376,-4.5592,-4.5432,-4.5132,2.3524,2.3547,2.8033,3.0021,3.0888,D05700_C01EB18,40030000004000000900060000820008801080001000000000000080010000001200400aa320002700060038000010400002020000008008000000020000241008a00802410032010120100002c0800200a0004004002800400a0000000000000000000000000002400000028110000000062104280110200800000002400004,0500002c50f001,0128420204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021008044325e8b70b1e35dffffff1f,0,12,55,1,0,10,66,68,-12.552999999999999,-8.246,1,-1.0,2.3098600000000003e-05,+,1.0271,-,1.0271,https://www.genome.jp/dbget-bin/www_bget?dr:D05700
1675,D05701, Ranolazine hydrochloride (USAN), Other cardiac preparations,C01EB18,CARDIOVASCULAR SYSTEM,c1(c(cccc1)OC)OC[C@@H](C[N@@H+]1CC[N@@H+](CC1)CC(=O)Nc1c(cccc1C)C)O,429.55199999999996,2.6852,131.436,76.67,40,4,5,XKLMZUWKNUAPSZ-HXUWFJFHSA-P,C24H35N3O4++,COc1ccccc1OCC(C[NH+]1CC[NH+](CC1)CC(=O)Nc1c(C)cccc1C)O,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/p+2/t20-/m1/s1",-6.0163,-6.0057,-4.9553,-4.5617,-4.5599,-4.5495,2.3447,2.3726,2.7539,3.0169,3.1322,D05701_C01EB18,40030000004000000900060000820008801080001000000000000080010000001200400aa320002700060038000010400002020000008008000000020000241008a00802410032010120100002c0800200a0004004002800400a0000000000000000000000000002400000028110000000062104280110200800000002400004,0500002c50f001,0128420204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021008044325e8b70b1e35dffffff1f,0,12,55,1,0,10,66,68,-12.550999999999998,-8.247,1,-1.0,2.28038e-05,+,1.0271,-,1.0271,https://www.genome.jp/dbget-bin/www_bget?dr:D05701
1676,D05711, Regadenoson (USAN/INN), Other cardiac preparations,C01EB21,CARDIOVASCULAR SYSTEM,[C@@H]1([C@H]([C@@H](O[C@@H]1CO)n1c2c(nc1)c(nc(n2)n1ncc(c1)C(=O)NC)N)O)O,390.35400000000004,-1.4626,92.792,186.46,29,5,13,LZPZPHGJDAGEJZ-AKAIJSEGSA-N,C15H18N8O5,OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC,"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1",-5.4595,-5.1258,-5.107,-4.8099,-4.4162,-3.9219,2.0980000000000003,2.3549,2.5189,2.6154,3.4232,D05711_C01EB21,e0ca0000003128c00110460008120000700800900002000002040040000410101c08440e460880a7500e011c20000885011822800000c81900008083208020000cc01e10801048000001880300900001049801400c80220ef0008441008340000858000000ec000000c00000e800384230060988800008a00818c0450e000002,0400003c30b021,0038000800010000000080000a0000014002000000009800000000000000000000004641403804,000000012000382181d41eff1333904b5c6deaff1f,0,15,33,1,0,5,46,49,-9.072000000000001,-0.68,4,-1.0,0.0017985289999999999,+,2.2449,-,2.2449,https://www.genome.jp/dbget-bin/www_bget?dr:D05711
1677,D00198, Rescinnamine (JAN/INN), Rauwolfia alkaloids,C02AA01,CARDIOVASCULAR SYSTEM,c12[C@@H]3[N@H+](CCc1c1c([nH]2)cc(cc1)OC)C[C@@H]1[C@H](C3)[C@@H]([C@H]([C@@H](C1)OC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC,635.724,4.7228,176.195,118.98,52,2,9,SZLZWPPUNLXJEA-QEGASFHISA-O,C35H43N2O9+,COc1ccc2c(c1)[nH]c1c2CC[NH+]2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)C=Cc1cc(OC)c(c(c1)OC)OC,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/p+1/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1",-6.2072,-6.0445,-4.7473,-4.6076,-4.5224,-4.431,1.8669,1.9598,1.9735,1.9841,2.0311,D00198_C02AA01,306f2420000206240a01860006034004a00400d000624208010000c0003414001000509901408025188a211820011240010a060018a4693326010006000682000c910c02630402010080e0019ac8001c0090915004803148c00809018028c00149340022802004c70200300020103c00100f01510a05102008c800410b000500,0500000070f005,168042020400000000009000000000000001000000008400000000000000000000004640c36a05,0000000000002100814036979f49a1e78dfbfffb1f,0,16,75,3,0,11,89,94,-10.397,-3.569,7,,0.227283314,+,10.6408,-,10.6408,https://www.genome.jp/dbget-bin/www_bget?dr:D00198
1678,D00197, Reserpine (JP17/USP/INN), Rauwolfia alkaloids,C02AA02,CARDIOVASCULAR SYSTEM,c12[C@@H]3[N@H+](CCc1c1c([nH]2)cc(cc1)OC)C[C@@H]1[C@H](C3)[C@@H]([C@H]([C@@H](C1)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC,609.687,4.3232,166.485,118.98,50,2,9,QEVHRUUCFGRFIF-MDEJGZGSSA-O,C33H41N2O9+,COc1ccc2c(c1)[nH]c1c2CC[NH+]2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1/t18-,22+,24-,27-,28+,31+/m1/s1",-6.1813,-6.0407,-4.7089,-4.5293,-4.4077,-4.3536,1.8882,1.9131,1.9305,1.9488,1.9851,D00197_C02AA02,206e2422000206e00a00860006030004a000009000424a08012000c0002414001400509900408025388a231820011240010a06000824681326010006000282000c910c22654402010080e1019ac800140090815004803108c80809018029400049300022002004470240300030103c00100f01510b0510a008c800490b000500,0500000070f005,068042020400000000009000000000000001000000008400000000000000000000004640c02a05,0000000000002100814036979b49a1e78dfbfffb1f,0,16,72,2,0,10,85,90,-10.875,-3.5839999999999996,7,0.0,0.6332719920000001,+,10.4459,-,10.4459,https://www.genome.jp/dbget-bin/www_bget?dr:D00197
1679,D08194, Deserpidine (INN), Rauwolfia alkaloids,C02AA05,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c1c([nH]2)[C@@H]2[N@H+](CC1)C[C@@H]1[C@H](C2)[C@@H]([C@H]([C@@H](C1)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC,579.661,4.3146,159.993,109.75,47,2,8,CVBMAZKKCSYWQR-WCGOZPBSSA-O,C32H39N2O8+,COC(=O)C1C(OC)C(CC2C1CC1[NH+](C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/p+1/t18-,21+,23-,26-,27+,30+/m1/s1",-6.2017,-6.0351,-4.6288,-4.5044,-4.4379,-4.3205,1.7372,1.8619999999999999,1.8704,1.9458,1.9937,D08194_C02AA05,206e0022000206e00a00860006030004a000009000424a08012000c0002414001400509900408025388a231820011240010a02000824681326010006000282000c910c22654402010080e1019ac800140090815004803108c80809018029400041300022002004430240300030103c00100f01510b0510a008c800490b000500,0500000070f005,068042020400000000009000000000000001000000008400000000000000000000004640c02a05,0000000000002100814036979a49a1e78dfbfffb1f,0,16,68,2,0,9,81,86,-11.222000000000001,-3.638,7,1.0,0.567104518,+,9.623,-,9.623,https://www.genome.jp/dbget-bin/www_bget?dr:D08194
1680,D07166, Methoserpidine (INN), Rauwolfia alkaloids,C02AA06,CARDIOVASCULAR SYSTEM,C1c2c([C@@H]3[N@H+](C1)C[C@@H]1[C@H](C3)[C@@H]([C@H]([C@@H](C1)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC)[nH]c1c2cc(cc1)OC,609.687,4.3232,166.485,118.98,50,2,9,ULBNWNUHGJLQHO-VKMIBBQISA-O,C33H41N2O9+,COc1ccc2c(c1)c1CC[NH+]3C(c1[nH]2)CC1C(C3)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1/t18-,21+,24-,27-,28+,31+/m1/s1",-6.2511,-6.0367,-4.6361,-4.5234,-4.4407,-4.4248,1.6334,1.845,1.8985,1.9553,1.9884,D07166_C02AA06,206e0022000206e00a00860006030004a000009000425a08012000c0002414001400509900408025388a231820011240010a02000824681326010006000282000c910c22654402010080e1019ec800140090815004803108c8080901802940004130002200200c470240300030103c00100f01510b0510a008c800490b000500,0500000070f005,068042020400000000009000000000000001000000008400000000000000000000004640c02a05,0000000000002100814036979a49a1e78dfbfffb1f,0,16,72,2,0,10,85,90,-10.984000000000002,-3.5639999999999996,7,1.0,0.660397053,+,10.1904,-,10.1904,https://www.genome.jp/dbget-bin/www_bget?dr:D07166
1681,D07167, Bietaserpine (prop.INN), Rauwolfia alkaloids,C02AA07,CARDIOVASCULAR SYSTEM,c12[C@@H]3[N@H+](CCc1c1c(n2CC[NH+](CC)CC)cc(cc1)OC)C[C@@H]1[C@H](C3)[C@@H]([C@H]([C@@H](C1)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC,709.8689999999999,3.7213,199.575,112.56,64,2,10,WFTSRDISOMSAQC-ZNFOTRSXSA-P,C39H55N3O9++,COc1ccc2c(c1)n(CC[NH+](CC)CC)c1c2CC[NH+]2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,"InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/p+2/t24-,28+,30-,33-,34+,37+/m1/s1",-6.285,-6.0545,-6.0073,-4.565,-4.537,-4.5272,1.5909,1.8919,1.9371,1.9818,2.0365,D07167_C02AA07,206e2422000216e05a0086000603040ca000009000424a08012000c0402415081404509b01408025388a233821011240010a06000824681326018086004282000c910c22654c03010080e1019ed808140090815004803108c80809118029600049310022002004470241300030503c00180f01510b1510a008cc00490b000500,0500000070f005,078042020400000000009000000000000001000000008800000000000000000000004640c02a05,0000000000000100814436979b49abe78dfbffff1f,0,16,93,2,0,15,106,111,-12.075999999999999,-6.001,7,0.0,1.82736e-05,-,6.197,-,6.197,https://www.genome.jp/dbget-bin/www_bget?dr:D07167
1682,D08205, Methyldopa (INN), Methyldopa,C02AB01,CARDIOVASCULAR SYSTEM,[C@@](C(=O)O)(Cc1cc(c(cc1)O)O)(C)[NH3+],212.222,-0.2745,55.6499,105.4,17,4,4,CJCSPKMFHVPWAR-JTQLQIEISA-O,C10H14NO4+,OC(=O)C(Cc1ccc(c(c1)O)O)([NH3+])C,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/p+1/t10-/m0/s1",-5.3822,-5.3619,-5.3420000000000005,-4.5747,-4.5359,-4.4339,1.7935,2.1396,2.3371,2.3663,2.6223,D08205_C02AB01,00040000000000000200060000000004000000000000120000000080000800001000408140000003000a001800010000010202000800400000000002000000000880080000000000000000000280000400b000400000100840080800000800000000000000000002000000c00000000000060100000100200800004200000000,0500000c06f003,0300c0000400000000008800000000100000000000030000000000000000000000000200c02a04,00000000000021008200004680c0054404cce2fe1f,0,6,22,1,0,3,29,29,-8.958,-0.247,1,-1.0,1.36216e-05,-,0.4056,-,0.4056,https://www.genome.jp/dbget-bin/www_bget?dr:D08205
1683,D00405, Methyldopa (USP), Methyldopa,C02AB01,CARDIOVASCULAR SYSTEM,[C@@](C(=O)O)(Cc1cc(c(cc1)O)O)(C)[NH3+],212.222,-0.2745,55.6499,105.4,17,4,4,CJCSPKMFHVPWAR-JTQLQIEISA-O,C10H14NO4+,OC(=O)C(Cc1ccc(c(c1)O)O)([NH3+])C,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/p+1/t10-/m0/s1",-5.385,-5.3557,-5.3552,-4.6021,-4.5381,-4.393,1.7959,2.1466,2.336,2.3682,2.6592,D00405_C02AB01,00040000000000000200060000000004000000000000120000000080000800001000408140000003000a001800010000010202000800400000000002000000000880080000000000000000000280000400b000400000100840080800000800000000000000000002000000c00000000000060100000100200800004200000000,0500000c06f003,0300c0000400000000008800000000100000000000030000000000000000000000000200c02a04,00000000000021008200004680c0054404cce2fe1f,0,6,22,1,0,3,29,29,-8.961,-0.247,1,1.0,1.3601300000000001e-05,-,0.4056,-,0.4056,https://www.genome.jp/dbget-bin/www_bget?dr:D00405
1684,D00281, Clonidine (JAN/USP/INN), Imidazoline receptor agonists,C02AC01,CARDIOVASCULAR SYSTEM,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00281_C02AC01,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.38,-5.912999999999999,0,1.0,0.001221024,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00281
1685,D00281, Clonidine (JAN/USP/INN), Other antimigraine preparations,N02CX02,NERVOUS SYSTEM,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00281_N02CX02,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.38,-5.912999999999999,0,1.0,0.001221024,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00281
1686,D00281, Clonidine (JAN/USP/INN), Sympathomimetics in glaucoma therapy,S01EA04,SENSORY ORGANS,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00281_S01EA04,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.38,-5.912999999999999,0,1.0,0.001221024,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00281
1687,D00604, Clonidine hydrochloride (JP17/USP), Imidazoline receptor agonists,C02AC01,CARDIOVASCULAR SYSTEM,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00604_C02AC01,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.39,-5.901,0,0.0,0.0012203960000000001,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00604
1688,D00604, Clonidine hydrochloride (JP17/USP), Other antimigraine preparations,N02CX02,NERVOUS SYSTEM,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00604_N02CX02,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.39,-5.901,0,0.0,0.0012203960000000001,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00604
1689,D00604, Clonidine hydrochloride (JP17/USP), Sympathomimetics in glaucoma therapy,S01EA04,SENSORY ORGANS,c1([NH]=C2NCCN2)c(cccc1Cl)Cl,231.102,3.0455,67.5671,47.91,13,3,2,VEIQWRFBMJSALD-UHFFFAOYSA-N,C9H10Cl2N3,Clc1cccc(c1[NH]=C1NCCN1)Cl,"InChI=1S/C9H10Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3,12-14H,4-5H2",-10.7165,-10.6693,-10.6607,-5.4145,-5.41,-5.2725,3.6910000000000003,3.7065,3.8776,4.1679,4.2699,D00604_S01EA04,0002020000000000800086001000000800080000000000400004000808200800000000000000002200010128000100400000000000000001002000000008000080001000c000000008040040040000022088004404002010420800000004000000200000000000002000000000000000800e0000000000000000000042800000,0000000000b021,000040100000000000000000000000000040000000040000000000000000000000000640402800,000000010004200000704686c846e00174a3642917,0,6,18,1,0,1,24,25,-13.39,-5.901,0,0.0,0.0012203960000000001,+,0.33,-,0.33,https://www.genome.jp/dbget-bin/www_bget?dr:D00604
1690,D08031, Guanfacine (INN), Imidazoline receptor agonists,C02AC02,CARDIOVASCULAR SYSTEM,c1(CC(=O)NC(=[NH2])N)c(cccc1Cl)Cl,247.101,2.9507,61.3045,81.14,14,3,3,SOSIZGXVVNYQRM-UHFFFAOYSA-N,C9H10Cl2N3O,O=C(Cc1c(Cl)cccc1Cl)NC(=[NH2])N,"InChI=1S/C9H10Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4,12-13H2,(H,14,15)",-12.5616,-12.4834,-11.161,-7.4268,-6.2021,-6.1873,3.8281,3.8983,5.14,5.2034,5.8571,D08031_C02AC02,00060200002000000300060010000004000000000000004000020080002000001000408100000000000721180004010000000000000000000000000208800000000010000000004000040000049000030099004000002008420808000002200000200000000000002000000000000000000e0100000111000000000000800000,0400000000b001,0200c0000000000000008000000000000040000000040000000000000000000000000200402800,00000001000400000030480cc16650002ca0602e1f,0,6,17,2,0,4,25,25,-12.53,-4.895,0,-1.0,0.000456334,+,0.42,-,0.42,https://www.genome.jp/dbget-bin/www_bget?dr:D08031
1691,D00606, Guanfacine hydrochloride (JAN/USP), Imidazoline receptor agonists,C02AC02,CARDIOVASCULAR SYSTEM,c1(CC(=O)NC(=[NH2])N)c(cccc1Cl)Cl,247.101,2.9507,61.3045,81.14,14,3,3,SOSIZGXVVNYQRM-UHFFFAOYSA-N,C9H10Cl2N3O,O=C(Cc1c(Cl)cccc1Cl)NC(=[NH2])N,"InChI=1S/C9H10Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4,12-13H2,(H,14,15)",-12.5484,-12.4867,-11.1167,-7.3785,-6.2036,-6.1891,3.8272,3.8687,5.1361,5.1778,5.8619,D00606_C02AC02,00060200002000000300060010000004000000000000004000020080002000001000408100000000000721180004010000000000000000000000000208800000000010000000004000040000049000030099004000002008420808000002200000200000000000002000000000000000000e0100000111000000000000800000,0400000000b001,0200c0000000000000008000000000000040000000040000000000000000000000000200402800,00000001000400000030480cc16650002ca0602e1f,0,6,17,2,0,4,25,25,-12.53,-4.8919999999999995,0,1.0,0.00045635300000000005,+,0.42,-,0.42,https://www.genome.jp/dbget-bin/www_bget?dr:D00606
1692,D07168, Tolonidine (INN), Imidazoline receptor agonists,C02AC04,CARDIOVASCULAR SYSTEM,N(c1ccc(cc1Cl)C)C1=[NH]CCN1,210.683,2.0711,67.9141,47.91,16,3,2,UTKFFLXSAMQRGH-UHFFFAOYSA-N,C10H13ClN3,Cc1ccc(c(c1)Cl)NC1=[NH]CCN1,"InChI=1S/C10H13ClN3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10/h2-3,6,12-14H,4-5H2,1H3",-8.5073,-8.4909,-6.5698,-5.4066,-5.406000000000001,-3.7427,2.7292,2.9497,2.9712,3.2689999999999997,3.3161,D07168_C02AC04,0042020400010000000006009080000a800000000000004000040080802010000000420000000220000101280001226000000000000000080000400200080400000010004000008008800000042000020088004014002010460802000000000001200009040402040000000000000000001e0100000100001008000006800000,0000000000b001,010040010000000000000000000000000040000000040000000000000000000000000600402800,000000010004200000704686c846e00174a364a917,0,6,21,1,0,2,27,28,-12.802999999999999,-5.669,0,1.0,0.000990309,+,0.3688,-,0.3688,https://www.genome.jp/dbget-bin/www_bget?dr:D07168
1693,D05087, Moxonidine (USAN/INN), Imidazoline receptor agonists,C02AC05,CARDIOVASCULAR SYSTEM,c1(c(nc(nc1Cl)C)OC)NC1=[NH]CCN1,242.685,0.8697,69.9961,82.92,19,3,5,MISXUOZDFZFFTG-UHFFFAOYSA-N,C9H13ClN5O,COc1nc(C)nc(c1NC1=[NH]CCN1)Cl,"InChI=1S/C9H13ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h11-12,15H,3-4H2,1-2H3",-8.5502,-8.4843,-6.5506,-5.4066,-5.3932,-3.7325,2.728,2.9384,2.9859,3.2710000000000004,3.3073,D05087_C02AC05,8002660800610050000046009402020a8000000000041260000500018208800100000300400082200001012000012230000004800000408008084008000800000c401c00020002010a0010008420000200b8004014002010060002800001000009200008041402800040000020001080201e0010080008201800000002c00100,0000000050b001,010042010000000000000000000004040040000000049000000000000000000000000600402800,000000012004200001f046decb66f16174e374b91f,0,6,23,1,0,3,29,30,-13.257,-5.627999999999999,0,0.0,0.000544799,+,0.5561,-,0.5561,https://www.genome.jp/dbget-bin/www_bget?dr:D05087
1694,D08482, Rilmenidine (INN), Imidazoline receptor agonists,C02AC06,CARDIOVASCULAR SYSTEM,C1(CC1)C(NC1=[NH]CCO1)C1CC1,181.255,1.1915,55.7024,45.11,20,2,2,OIJXAERPYIKLQN-UHFFFAOYSA-N,C10H17N2O,C1C[NH]=C(O1)NC(C1CC1)C1CC1,"InChI=1S/C10H17N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9,11-12H,1-6H2",-7.4269,-7.3696,-5.3238,-5.1147,-5.0678,-3.8745,2.1354,2.6655,2.6889,2.7942,3.3902,D08482_C02AC06,0002000000000280000004001002000600002030000000400200000000000000100000000000080a50000030002000000100080000280000000008000008000008003a80001000000802000100040000018000401020201082000000000200000000000040000000008000000000000000040000000010000000480140000000,0000000030a001,060040010000000000000000000000000040000000000000000000000000000000000400402800,0000200010040001003006c68872f0811c23443919,0,0,31,1,0,4,30,32,-14.317,-5.136,0,1.0,0.00017167900000000002,+,1.8097,-,1.8097,https://www.genome.jp/dbget-bin/www_bget?dr:D08482
1695,D00612, Trimetaphan camsilate (JAN/INN), Sulfonium derivatives,C02BA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@@H](N(C(=O)N2Cc2ccccc2)Cc2ccccc2)C[S@]2[C@H]1CCC2,365.51199999999994,4.1823,115.675,48.85,29,0,3,XCLGTVDKEQJVMP-ACRUOGEOSA-N,C22H25N2OS,O=C1N(Cc2ccccc2)C2C(N1Cc1ccccc1)C[S]1C2CCC1,"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/t19-,20-,21-/m0/s1",-4.6915,-4.6571,-4.6472,-2.9086,-2.8989,-1.9625,1.5716,1.7654,1.7692,2.3075,2.3179,D00612_C02BA01,0002018300000e2021000600000100083000009000400000000000c0000001001800700e0003000010840538000100c001030000602000000020000200500004000000000004000000210400069801000080074000002001c04801020000600408300022040000000000000000000000400e110c000110200030804700000000,0000000000b141,020000000000000000000000000000000040040000000000000000000000000000004600402004,00000000180000100054b5801863b0c301632d2f1f,0,12,42,1,0,4,51,55,-9.419,-2.541,3,,0.868686616,-,1.8455,-,1.8455,https://www.genome.jp/dbget-bin/www_bget?dr:D00612
1696,D00611, Mecamylamine hydrochloride (USP), Secondary and tertiary amines,C02BB01,CARDIOVASCULAR SYSTEM,[C@@]1([C@@H]2C[C@H](C1(C)C)CC2)(C)[NH2+]C,168.299,1.3944,54.6004,16.61,22,1,0,IMYZQPCYWPFTAG-YWVKMMECSA-O,C11H22N+,C[NH2+]C1(C)C2CCC(C1(C)C)C2,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/p+1/t8-,9+,11+/m1/s1",-5.7183,-5.7,-4.3959,-4.3302,0.0,0.0,1.4074,1.5515,1.5666,1.5873,1.5936,D00611_C02BB01,0002000000000200000004010000000000000010000000000000000000000000100010000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e001,0f0040010400000000000000000000000000000000000000000000000000000000008000c02204,00000000000001000202089600892800111074a815,0,0,35,0,0,1,34,35,-10.546,-3.987,3,,7.68839e-05,+,1.1327,-,1.1327,https://www.genome.jp/dbget-bin/www_bget?dr:D00611
1697,D08411, Prazosin (INN), Alpha-adrenoreceptor antagonists,C02CA01,CARDIOVASCULAR SYSTEM,c12c(nc(nc2N)N2CCN(CC2)C(=O)c2ccco2)cc(c(c1)OC)OC,383.401,2.3687,110.361,106.95,29,1,9,IENZQIKPVFGBNW-UHFFFAOYSA-N,C19H21N5O4,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",-6.2004,-5.1136,-5.0935,-4.8382,-4.8037,-4.7924,2.353,2.3735,2.7782,3.1579,3.1816,D08411_C02CA01,c0022800001000c00908460098030008400000881000140400000060202080000c026802600880202886042e000000400004a6000000600008400002004000000c801c00610400010820400016cc0044009000403400200140080120004100020818200200a0080600400000081004060006080c080108200928200082000100,0400000050b021,00000208000000000000800012000001000100000000b000000000000000000000004640403800,000000012000002181d43cd81b63b1e351ebfffb1f,0,16,35,1,0,5,49,52,-8.434,-0.446,0,1.0,0.105561599,+,1.3959,-,1.3959,https://www.genome.jp/dbget-bin/www_bget?dr:D08411
1698,D00609, Prazosin hydrochloride (JP17/USP), Alpha-adrenoreceptor antagonists,C02CA01,CARDIOVASCULAR SYSTEM,c12c(nc(nc2N)N2CCN(CC2)C(=O)c2ccco2)cc(c(c1)OC)OC,383.401,2.3687,110.361,106.95,29,1,9,IENZQIKPVFGBNW-UHFFFAOYSA-N,C19H21N5O4,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",-6.204,-5.1135,-5.0928,-4.8354,-4.8069,-4.7911,2.3562,2.3649,2.7895,3.1653,3.1821,D00609_C02CA01,c0022800001000c00908460098030008400000881000140400000060202080000c026802600880202886042e000000400004a6000000600008400002004000000c801c00610400010820400016cc0044009000403400200140080120004100020818200200a0080600400000081004060006080c080108200928200082000100,0400000050b021,00000208000000000000800012000001000100000000b000000000000000000000004640403800,000000012000002181d43cd81b63b1e351ebfffb1f,0,16,35,1,0,5,49,52,-8.453,-0.42200000000000004,0,,0.11129005300000001,+,1.3959,-,1.3959,https://www.genome.jp/dbget-bin/www_bget?dr:D00609
1699,D04531, Indoramin (USAN/INN), Alpha-adrenoreceptor antagonists,C02CA02,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c[nH]2)CC[N@@H+]1CC[C@@H](CC1)NC(=O)c1ccccc1,348.461,4.1478,110.28399999999999,49.33,28,3,2,JXZZEXZZKAWDSP-UHFFFAOYSA-O,C22H26N3O+,O=C(c1ccccc1)NC1CC[NH+](CC1)CCc1c[nH]c2c1cccc2,"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)/p+1",-6.0209,-4.6173,-4.5907,-4.5337,-4.127,-3.8344,1.5796,1.5929,1.5953,1.8603,2.379,D04531_C02CA02,20260000000204a013000600000100040000009000000008000000c0002004001c0050910000802008862a180000004001020000000420000000000200000000040004004004000000004000028800100080015004002008e009090080004000001000220020000000000000001004001006014100011000001c000102000000,0500000000f001,0200400204000000000080000a0000000001000000008400000000000000000000004640c02a04,00000000000011000184368e9a61b08315234d2f1f,0,16,38,1,0,6,52,55,-11.329,-3.804,0,-1.0,0.156397924,+,1.2115,-,1.2115,https://www.genome.jp/dbget-bin/www_bget?dr:D04531
1700,D04532, Indoramin hydrochloride (USAN), Alpha-adrenoreceptor antagonists,C02CA02,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c[nH]2)CC[N@@H+]1CC[C@@H](CC1)NC(=O)c1ccccc1,348.461,4.1478,110.28399999999999,49.33,28,3,2,JXZZEXZZKAWDSP-UHFFFAOYSA-O,C22H26N3O+,O=C(c1ccccc1)NC1CC[NH+](CC1)CCc1c[nH]c2c1cccc2,"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)/p+1",-6.0182,-4.6105,-4.5946,-4.5382,-4.1223,-3.8337,1.58,1.5891,1.5947,1.7742,2.3656,D04532_C02CA02,20260000000204a013000600000100040000009000000008000000c0002004001c0050910000802008862a180000004001020000000420000000000200000000040004004004000000004000028800100080015004002008e009090080004000001000220020000000000000001004001006014100011000001c000102000000,0500000000f001,0200400204000000000080000a0000000001000000008400000000000000000000004640c02a04,00000000000011000184368e9a61b08315234d2f1f,0,16,38,1,0,6,52,55,-11.325999999999999,-3.803,0,0.0,0.156509444,+,1.2115,-,1.2115,https://www.genome.jp/dbget-bin/www_bget?dr:D04532
1701,D08212, Trimazosin (INN), Alpha-adrenoreceptor antagonists,C02CA03,CARDIOVASCULAR SYSTEM,c12c(nc(nc2N)N2CCN(CC2)C(=O)OCC(C)(O)C)c(c(c(c1)OC)OC)OC,435.474,1.8514,121.78,132.5,40,2,11,YNZXWQJZEDLQEG-UHFFFAOYSA-N,C20H29N5O6,COc1c(OC)c(OC)cc2c1nc(nc2N)N1CCN(CC1)C(=O)OCC(O)(C)C,"InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)",-6.2435,-5.3491,-5.2837,-5.1069,-5.0917,-4.8269,2.3535,2.3611,2.8008,3.1864,3.1977,D08212_C02CA03,c0022800001000c00908460018020008600020000000040002120000002800001800200a60088025380c002e00000040000ca600000860000c400000000006000c801e00450000010221400806c00000009004400400200140080020000380000808000000a0084704400100081004020006090c080500600920400003000000,0000004c70b021,014802080000000000000000000000010040000100009000000000000000000000004600403800,000040012000002083d638519bf3b5e75dffffff1f,0,11,50,1,0,8,60,62,-8.34,-0.5529999999999999,0,0.0,0.048251145,+,1.7106,-,1.7106,https://www.genome.jp/dbget-bin/www_bget?dr:D08212
1702,D06234, Trimazosin hydrochloride (USAN), Alpha-adrenoreceptor antagonists,C02CA03,CARDIOVASCULAR SYSTEM,c12c(nc(nc2N)N2CCN(CC2)C(=O)OCC(C)(O)C)c(c(c(c1)OC)OC)OC,435.474,1.8514,121.78,132.5,40,2,11,YNZXWQJZEDLQEG-UHFFFAOYSA-N,C20H29N5O6,COc1c(OC)c(OC)cc2c1nc(nc2N)N1CCN(CC1)C(=O)OCC(O)(C)C,"InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)",-6.1766,-5.3263,-5.3075,-5.1114,-5.0921,-4.8105,2.3539,2.3608,2.8103,3.1454,3.1903,D06234_C02CA03,c0022800001000c00908460018020008600020000000040002120000002800001800200a60088025380c002e00000040000ca600000860000c400000000006000c801e00450000010221400806c00000009004400400200140080020000380000808000000a0084704400100081004020006090c080500600920400003000000,0000004c70b021,014802080000000000000000000000010040000100009000000000000000000000004600403800,000040012000002083d638519bf3b5e75dffffff1f,0,11,50,1,0,8,60,62,-8.341000000000001,-0.54,0,2.0,0.048259030999999994,+,1.7106,-,1.7106,https://www.genome.jp/dbget-bin/www_bget?dr:D06234
1703,D07874, Doxazosin (INN), Alpha-adrenoreceptor antagonists,C02CA04,CARDIOVASCULAR SYSTEM,c12c(cc(c(c2)OC)OC)c(nc(n1)N1CCN(CC1)C(=O)[C@@H]1Oc2c(OC1)cccc2)N,451.475,2.3019,128.584,112.27,35,1,10,RUZYUOTYCVRMRZ-HXUWFJFHSA-N,C23H25N5O5,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/t20-/m1/s1",-6.2157,-5.1132,-5.0935,-4.8198,-4.7918,-3.8796,2.3587,2.3761,2.783,3.1591,3.2005,D07874_C02CA04,c0022800001000400908460018020008410080000800040000000000012000001800200ae10880372806043e000000400006a6000200e00008400080000020100ca01c02411030010020400006c0801000d000400400240140080020002104000808000000a2080600402002881004020206290c080110200920000002200004,0400000050b021,000002080000000000008000120000010000000000009000000000000000000000004600403804,000000012000002181d438591b73b1e359ebfffb1f,0,17,44,1,0,5,58,62,-8.46,-0.439,1,1.0,0.597920537,+,2.1511,-,2.1511,https://www.genome.jp/dbget-bin/www_bget?dr:D07874
1704,D00608, Doxazosin mesylate (USAN), Alpha-adrenoreceptor antagonists,C02CA04,CARDIOVASCULAR SYSTEM,c12c(cc(c(c2)OC)OC)c(nc(n1)N1CCN(CC1)C(=O)[C@@H]1Oc2c(OC1)cccc2)N,451.475,2.3019,128.584,112.27,35,1,10,RUZYUOTYCVRMRZ-HXUWFJFHSA-N,C23H25N5O5,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/t20-/m1/s1",-6.2199,-5.1133,-5.0922,-4.8212,-4.7929,-3.8982,2.3587,2.3666,2.7862,3.1523,3.2117,D00608_C02CA04,c0022800001000400908460018020008410080000800040000000000012000001800200ae10880372806043e000000400006a6000200e00008400080000020100ca01c02411030010020400006c0801000d000400400240140080020002104000808000000a2080600402002881004020206290c080110200920000002200004,0400000050b021,000002080000000000008000120000010000000000009000000000000000000000004600403804,000000012000002181d438591b73b1e359ebfffb1f,0,17,44,1,0,5,58,62,-8.349,-0.531,1,,0.551264048,+,2.1511,-,2.1511,https://www.genome.jp/dbget-bin/www_bget?dr:D00608
1705,D01333, Urapidil (JP17/INN), Alpha-adrenoreceptor antagonists,C02CA06,CARDIOVASCULAR SYSTEM,c1cc(c(cc1)N1CC[NH+](CC1)CCCNc1cc(=O)n(c(=O)n1C)C)OC,388.48400000000004,1.0069,119.641,72.94,35,2,7,ICMGLRUYEQNHPF-UHFFFAOYSA-O,C20H30N5O3+,COc1ccccc1N1CC[NH+](CC1)CCCNc1cc(=O)n(c(=O)n1C)C,"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3/p+1",-6.0468,-4.9244,-4.6048,-4.5513,-4.5456,-4.5172,1.73,1.7334,2.4096,2.4391,2.5283,D01333_C02CA06,c0020000001800401000460018c20008a000040040000020000000c004000440128030026540802100000438000010e0000222000000400800c0000040008c000c440c00c10022010020400002900004009000400c00200ce00b008010010006000810000090000200400000001008a00006090e280010200804000006400100,0100000050f021,020042020500000000008000200000004042040000008900000000000000000000000640c03a00,000000003000112001d4325f8b6ab1e3d5f3ffff1f,0,12,46,2,0,7,58,60,-10.753,-4.088,0,,0.006354725,-,1.3523,-,1.3523,https://www.genome.jp/dbget-bin/www_bget?dr:D01333
1706,D08662, Urapidil hydrochloride, Alpha-adrenoreceptor antagonists,C02CA06,CARDIOVASCULAR SYSTEM,c1cc(c(cc1)N1CC[NH+](CC1)CCCNc1cc(=O)n(c(=O)n1C)C)OC,388.48400000000004,1.0069,119.641,72.94,35,2,7,ICMGLRUYEQNHPF-UHFFFAOYSA-O,C20H30N5O3+,COc1ccccc1N1CC[NH+](CC1)CCCNc1cc(=O)n(c(=O)n1C)C,"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3/p+1",-6.0504,-4.9206,-4.5998,-4.5479,-4.4996,-4.4843,1.7299,1.7322,2.3863,2.5151,2.7194,D08662_C02CA06,c0020000001800401000460018c20008a000040040000020000000c004000440128030026540802100000438000010e0000222000000400800c0000040008c000c440c00c10022010020400002900004009000400c00200ce00b008010010006000810000090000200400000001008a00006090e280010200804000006400100,0100000050f021,020042020500000000008000200000004042040000008900000000000000000000000640c03a00,000000003000112001d4325f8b6ab1e3d5f3ffff1f,0,12,46,2,0,7,58,60,-10.755,-4.084,0,0.0,0.006350206999999999,-,1.3523,-,1.3523,https://www.genome.jp/dbget-bin/www_bget?dr:D08662
1707,D01603, Bethanidine sulfate (JAN/USAN), Guanidine derivatives,C02CC01,CARDIOVASCULAR SYSTEM,c1cccc(c1)C/[NH]=C(\[NH2+]C)/NC,179.262,0.5603,57.3378,52.49,19,3,1,IYJVKEWXVROLLK-UHFFFAOYSA-O,C10H17N3+,CNC(=[NH]Cc1ccccc1)[NH2+]C,"InChI=1S/C10H16N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7,11-13H,8H2,1-2H3/p+1",-9.5322,-9.5101,-8.7728,-5.0829,-5.0722,-4.9978,3.5517,3.5608,3.8101,3.8316,3.9297,D01603_C02CC01,00000000000004000000060010000002000000000000004000001080080000000008400000000000008000280001000000000000000000000000000200080000000000000000000008000000000800000080004010002010420800000000000000300000000020000400000000000000200e0100000100000000000000000000,0000000000b001,000040010000000000000000000000000040000000000000000000000000000000000200402800,000000010004000000300a12080a4000042050ad17,0,6,23,1,0,4,30,30,-15.712,-9.986,0,0.0,7.42223e-13,+,0.3868,-,0.3868,https://www.genome.jp/dbget-bin/www_bget?dr:D01603
1708,D08030, Guanethidine (INN), Guanidine derivatives,C02CC02,CARDIOVASCULAR SYSTEM,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5264,-12.4998,-10.7364,-6.2314,-6.1965,-6.1409,3.7855,3.8017,3.8779,4.9812,5.044,D08030_C02CC02,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.903,-8.12,0,0.0,1.9504599999999997e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D08030
1709,D08030, Guanethidine (INN), Other antiglaucoma preparations,S01EX01,SENSORY ORGANS,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5501,-12.4793,-10.7418,-6.2121,-6.1963,-6.1578,3.7843,3.7948,3.8772,4.985,5.0626,D08030_S01EX01,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.903,-8.12,0,0.0,1.9504599999999997e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D08030
1710,D02237, Guanethidine sulfate (USAN), Guanidine derivatives,C02CC02,CARDIOVASCULAR SYSTEM,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5396,-12.4835,-10.785,-6.2183,-6.1775,-6.1614,3.7896,3.8473,3.8852,4.9902,5.0735,D02237_C02CC02,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.904,-8.118,0,,1.94931e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D02237
1711,D02237, Guanethidine sulfate (USAN), Other antiglaucoma preparations,S01EX01,SENSORY ORGANS,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5215,-12.5097,-10.7576,-6.2077,-6.1788,-6.1655,3.7888,3.7892,3.8843,4.9932,5.0568,D02237_S01EX01,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.904,-8.118,0,,1.94931e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D02237
1712,D04382, Guanethidine sulfate (JP17), Guanidine derivatives,C02CC02,CARDIOVASCULAR SYSTEM,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5286,-12.5061,-10.7653,-6.2155,-6.1748,-6.1657,3.7923,3.8080000000000003,3.8852,5.0009,5.0582,D04382_C02CC02,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.904,-8.118,0,,1.94931e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D04382
1713,D04382, Guanethidine sulfate (JP17), Other antiglaucoma preparations,S01EX01,SENSORY ORGANS,[NH+]1(CCNC(=[NH2])N)CCCCCCC1,200.324,2.2928,65.9062,68.51,27,4,2,QYPRJSHBRLZRFH-UHFFFAOYSA-O,C10H24N4+,NC(=[NH2])NCC[NH+]1CCCCCCC1,"InChI=1S/C10H23N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h13H,1-9,11-12H2/p+1",-12.5294,-12.4852,-10.7188,-6.2205,-6.1825,-6.1591,3.7849,3.7921,3.8652,4.9872,5.0368,D04382_S01EX01,00220000000002000000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000022000000000014000002000820000000004000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0020400000000000000000000000040000000000000000000000000000000000400c02a00,000000010004210000743a069842608305234c2d11,0,0,37,1,0,4,38,38,-16.904,-8.118,0,,1.94931e-12,+,0.8858,-,0.8858,https://www.genome.jp/dbget-bin/www_bget?dr:D04382
1714,D04399, Guanoxan sulfate (USAN), Guanidine derivatives,C02CC03,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)O[C@H](CO2)CNC(=[NH2])N,208.237,1.7146,56.9885,82.53,19,3,4,FYJNPHKYPAOSTQ-ZETCQYMHSA-N,C10H14N3O2,NC(=[NH2])NCC1COc2c(O1)cccc2,"InChI=1S/C10H14N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7,13H,5-6,11-12H2/t7-/m0/s1",-12.5155,-12.4871,-10.8741,-6.211,-6.2018,-6.1864,3.7885,3.8066,3.8595,5.0162,5.0764,D04399_C02CC03,c002000000000000080006001002000000008000000000400000000002000000100000088000001700200518000000000000020002008000000000000000202008a018020110200100000000025280000080004000002000420800000022000000200000000200020000000280100000020e21000a0110200800000000200004,0000000050b001,0000c2000000000000000000000000000040000000000000000000000000000000004600402804,000000010004000180300a421b13c1000ca3c17d1f,0,6,23,1,0,3,29,30,-11.625,-5.422999999999999,1,1.0,0.000182207,+,0.36700000000000005,-,0.36700000000000005,https://www.genome.jp/dbget-bin/www_bget?dr:D04399
1715,D03664, Debrisoquin sulfate (USAN), Guanidine derivatives,C02CC04,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)CN(CC2)C(=[NH2])N,176.238,1.8903,57.9458,55.28,17,2,2,VHHZIOMOCLOBCT-UHFFFAOYSA-N,C10H14N3,NC(=[NH2])N1CCc2c(C1)cccc2,"InChI=1S/C10H14N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7,11-12H2",-12.405,-12.4011,-9.1655,-6.2029,-6.1997,-6.1938,3.7566,3.7686,3.7689999999999997,4.2414,4.2441,D03664_C02CC04,000600800000042002000600100100040000009000000040000000c0000000001001508100400000008021180000020000020000000000002000000208820000000010000004000000002000821800000080004000002009520808008002000000300002000000000000000020000000000e0110000110000000000008000000,0000000000b001,0200c0000000000000000000000000000040000000000000000000000000000000004600402800,0000000100040000003438061a43608305a34d2917,0,6,21,1,0,1,27,28,-12.847000000000001,-5.059,0,1.0,0.000135114,+,0.405,-,0.405,https://www.genome.jp/dbget-bin/www_bget?dr:D03664
1716,D04386, Guanoclor sulfate (USAN), Guanidine derivatives,C02CC05,CARDIOVASCULAR SYSTEM,c1ccc(c(c1Cl)OCC[NH2+]NC(=[NH2])N)Cl,265.14,1.7388,66.6899,89.91,18,4,3,WTTVYAALYIHVHY-UHFFFAOYSA-O,C9H14Cl2N4O+,NC(=[NH2])N[NH2+]CCOc1c(Cl)cccc1Cl,"InChI=1S/C9H13Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14-15H,4-5,12-13H2/p+1",-12.5267,-12.4259,-6.1708,-6.1379,-6.1023,-5.8011,3.7119,3.7345,3.7696,3.7722,3.7932,D04386_C02CC05,000002000000000000000e0020020000000000000000006000880000102220000000000000020042000104080000040000000200000000050000000000000000080008000110022100040000060080020088004000000000420800000000000002000000000000022000000000110000020e400008200020280000000c800004,0100000050f001,0000c2000000000000000000000000000040000000040000000000000000000000000200c02a00,000000010004290018704a66c95661682ce2e43d1f,0,6,23,1,0,6,30,30,-14.249,-10.482000000000001,0,,6.07206e-12,+,0.3925,-,0.3925,https://www.genome.jp/dbget-bin/www_bget?dr:D04386
1717,D07169, Guanazodine (INN), Guanidine derivatives,C02CC06,CARDIOVASCULAR SYSTEM,C1[NH2+][C@@H](CCCCC1)CNC(=[NH2])N,186.298,2.3399,61.0049,80.68,25,4,2,RZUZUZFLCQHRMN-QMMMGPOBSA-O,C9H22N4+,NC(=[NH2])NCC1CCCCCC[NH2+]1,"InChI=1S/C9H21N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12-13H,1-7,10-11H2/p+1/t8-/m0/s1",-12.5252,-12.5108,-10.8018,-6.2073,-6.1867,-6.1694,3.7809,3.7978,3.8986,4.998,5.0779,D07169_C02CC06,0022000000000a800000040010000008000000100000004000000000000000001000100201000000100001300000000001020000002000000000000010000100000010000000000000200000023000000000014000002000820000000006000000200020000000000000000000000000000c0004000010000000000100000000,0100000000e001,0200c0010400000000000000000000000040000000000000000000000000000000000400c02a04,000000010004210000700a06984260810523442d11,0,0,34,1,0,3,35,35,-17.425,-8.215,1,-2.0,2.48208e-11,+,0.9555,-,0.9555,https://www.genome.jp/dbget-bin/www_bget?dr:D07169
1718,D04398, Guanoxabenz (USAN/INN), Guanidine derivatives,C02CC07,CARDIOVASCULAR SYSTEM,c1ccc(c(c1Cl)/C=N/NC(=[NH2])NO)Cl,248.08900000000003,2.9262,60.8063,82.67,14,4,4,YOAIXJDFIPVFNY-UUILKARUSA-N,C8H9Cl2N4O,ONC(=[NH2])NN=Cc1c(Cl)cccc1Cl,"InChI=1S/C8H9Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,13-15H,11H2/b12-4+",-12.3507,-8.9676,-8.1171,-6.197,-6.1893,-4.5406,3.7487,3.7671,3.7676,3.782,3.8426,D04398_C02CC07,000002000048104000000e00280000000000000000010040000a2080002000000000400000000440000100080000080000000000000400000000800200000000100008000000000000040000040000820088004000000000430800000001000000410881000000003000000000a00000002a0100000100801000000008800000,0100000000f001,0000c0000000000000000000000000000040000000040000000000000000000000000240c32a00,0000800100042900587048606106400826a460281f,0,6,16,2,0,4,24,24,-12.922,-5.294,0,,0.000152192,+,0.3342,-,0.3342,https://www.genome.jp/dbget-bin/www_bget?dr:D04398
1719,D00294, Diazoxide (JAN/USP/INN), Thiazide derivatives,C02DA01,CARDIOVASCULAR SYSTEM,c12c(ccc(c1)Cl)[NH]=C(NS2(=O)=O)C,231.679,2.7412,62.6464,78.4,12,2,3,USFCAMRQKZMAEN-UHFFFAOYSA-N,C8H8ClN2O2S,Clc1ccc2c(c1)S(=O)(=O)NC(=[NH]2)C,"InChI=1S/C8H8ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4,10-11H,1H3",-10.7993,-10.7943,-9.9325,-5.2339,-4.4038,-4.295,2.5013,2.6552,2.69,3.1144,4.8376,D00294_C02DA01,600113060000000000008622000408002c080008200408400400100800600802080040080000002002010018000000c0006000000000400100000000002d000008000000c0002080090200400400020200880060042000004308000000008000012c00001000001010000100030008000006b101000000210800800012800002,0000000000b021,010040100000000000008000000000000000000000040000000020000000000000004640401800,000000802904541e14b1c1207387d049e6e149e81f,0,6,14,3,0,0,22,23,-13.767999999999999,-6.067,0,1.0,5.0375e-05,-,0.2938,-,0.2938,https://www.genome.jp/dbget-bin/www_bget?dr:D00294
1720,D00294, Diazoxide (JAN/USP/INN), Drugs for treatment of hypoglycemia,V03AH01,VARIOUS,c12c(ccc(c1)Cl)[NH]=C(NS2(=O)=O)C,231.679,2.7412,62.6464,78.4,12,2,3,USFCAMRQKZMAEN-UHFFFAOYSA-N,C8H8ClN2O2S,Clc1ccc2c(c1)S(=O)(=O)NC(=[NH]2)C,"InChI=1S/C8H8ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4,10-11H,1H3",-10.7993,-10.7943,-9.9325,-5.2339,-4.4038,-4.295,2.5013,2.6552,2.69,3.1144,4.8376,D00294_V03AH01,600113060000000000008622000408002c080008200408400400100800600802080040080000002002010018000000c0006000000000400100000000002d000008000000c0002080090200400400020200880060042000004308000000008000012c00001000001010000100030008000006b101000000210800800012800002,0000000000b021,010040100000000000008000000000000000000000040000000020000000000000004640401800,000000802904541e14b1c1207387d049e6e149e81f,0,6,14,3,0,0,22,23,-13.767999999999999,-6.067,0,1.0,5.0375e-05,-,0.2938,-,0.2938,https://www.genome.jp/dbget-bin/www_bget?dr:D00294
1721,D07170, Dihydralazine (INN), Hydrazinophthalazine derivatives,C02DB01,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(nnc2N[NH3+])N[NH3+],192.22099999999998,-1.0866,56.4656,105.12,16,4,4,VQKLRVZQQYVIJW-UHFFFAOYSA-P,C8H12N6++,[NH3+]Nc1nnc(c2c1cccc2)N[NH3+],"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)/p+2",-3.6241,-3.6237,-3.6138,-3.6132,-3.6126,-3.6118,1.7034,1.7069999999999999,1.7399,1.7477,1.7801,D07170_C02DB01,004000000000000000000e00180000000000000000000040000000000000120000002000000880600800000c00000040080432000000200008010000000000000c4004004000020000004000020000000080002004000000400800100000000000000000000000020000000008008c0000020000000000200810000003000000,0100000000f001,000000000000000000000000000000010000000000009000000000000000000000004600c02a00,000000002000090019d00020120180095621412817,0,11,16,0,0,2,26,27,-15.616,-7.687,0,1.0,1.3732399999999999e-14,+,0.7764,-,0.7764,https://www.genome.jp/dbget-bin/www_bget?dr:D07170
1722,D07830, Dihydralazine sulfate, Hydrazinophthalazine derivatives,C02DB01,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(nnc2N[NH3+])N[NH3+],192.22099999999998,-1.0866,56.4656,105.12,16,4,4,VQKLRVZQQYVIJW-UHFFFAOYSA-P,C8H12N6++,[NH3+]Nc1nnc(c2c1cccc2)N[NH3+],"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)/p+2",-3.6261,-3.6196,-3.6182,-3.6144,-3.6139,-3.6104,1.7064,1.7188,1.7378,1.7396,1.7659,D07830_C02DB01,004000000000000000000e00180000000000000000000040000000000000120000002000000880600800000c00000040080432000000200008010000000000000c4004004000020000004000020000000080002004000000400800100000000000000000000000020000000008008c0000020000000000200810000003000000,0100000000f001,000000000000000000000000000000010000000000009000000000000000000000004600c02a00,000000002000090019d00020120180095621412817,0,11,16,0,0,2,26,27,-15.61,-7.687,0,1.0,1.3730200000000002e-14,+,0.7764,-,0.7764,https://www.genome.jp/dbget-bin/www_bget?dr:D07830
1723,D08044, Hydralazine (INN), Hydrazinophthalazine derivatives,C02DB02,CARDIOVASCULAR SYSTEM,c12c(cn[nH]/c/1=[NH]\N)cccc2,161.184,1.2518,46.3838,78.55,12,3,2,VBZQUFIWPUSCKD-FLIBITNWSA-N,C8H9N4,N[NH]=c1[nH]ncc2c1cccc2,"InChI=1S/C8H9N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5,11-12H,9H2/b11-8-",-4.1401,-3.7491,-3.3484,-3.0216,-2.5086,-2.5035,1.3519,1.4325,1.5401,2.326,2.3871,D08044_C02DB02,004000000000000000000a00010008000000000000000042008800000000102000002000000880010800000c00000000000026000004200000000000000040080c0004400080040000004001020000840080002000000000400800000000000000000000000000020000000040000c0000028000010000200800000000001200,0000000000b001,000000000000000000008000000000000000000000009400000000000000000000004640401800,000000002004280019f008201201c0095621410817,0,11,10,1,0,0,21,22,-13.713,-5.092,0,0.0,5.1181400000000004e-05,+,0.527,-,0.527,https://www.genome.jp/dbget-bin/www_bget?dr:D08044
1724,D01302, Hydralazine hydrochloride (JP17/USP), Hydrazinophthalazine derivatives,C02DB02,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(nnc2)N[NH3+],161.184,0.2716,48.0018,65.45,12,2,3,RPTUSVTUFVMDQK-UHFFFAOYSA-O,C8H9N4+,[NH3+]Nc1nncc2c1cccc2,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)/p+1",-3.6381,-3.6187,-3.5947,-1.5309,-1.5289,-1.3745,1.0835,1.1804,1.5012,1.7019,1.729,D01302_C02DB02,004000000000000000000e00180000000000000000000040000000000000120000002000000880600800000c00000040080432000000200008000000000000000c4004004000000000004000020000000080002004000000400800100000000000000000000000020000000000008c0000020000000000200800000003000000,0100000000f001,000000000000000000000000000000010000000000009000000000000000000000004600c02a00,000000002000090019d00020120180095621412817,0,11,11,0,0,1,21,22,-12.708,-5.153,0,0.0,3.5206499999999997e-07,+,0.4641,-,0.4641,https://www.genome.jp/dbget-bin/www_bget?dr:D01302
1725,D08254, Endralazine (INN), Hydrazinophthalazine derivatives,C02DB03,CARDIOVASCULAR SYSTEM,c1cccc(c1)C(=O)N1CCc2c(C1)c/c(=[NH]/N)/[nH]n2,270.31,1.235,78.0293,98.86,21,3,4,JMEQWMWFBOVMPF-SSZFMOIBSA-N,C14H16N5O,N[NH]=c1[nH]nc2c(c1)CN(CC2)C(=O)c1ccccc1,"InChI=1S/C14H16N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8,16,18H,6-7,9,15H2/b16-13-",-4.217,-3.8136,-3.6882,-3.6384,-3.3432,-3.0222,1.4419,1.5284,2.359,2.3602,2.4292,D08254_C02DB03,200e0000008004a003080e00055108040000008000402242008800c0004010201c00448100488001008e221e0000028040022200000460002400000a002262800c2004408084000110002009828820848080006000a0200040080c00800000000c1a00020040000002040000640018011006811081051020085880c508001204,0400000000b001,020000000000000000008000120000000001000000009400000000000000000000004640403800,000000002004280019f4382e1a61f08b57a34d2b1f,0,12,24,2,0,2,36,38,-12.286,-5.2860000000000005,0,0.0,0.0009030039999999999,+,0.9953,-,0.9953,https://www.genome.jp/dbget-bin/www_bget?dr:D08254
1726,D03994, Endralazine mesylate (USAN), Hydrazinophthalazine derivatives,C02DB03,CARDIOVASCULAR SYSTEM,c1cccc(c1)C(=O)N1CCc2c(C1)c/c(=[NH]/N)/[nH]n2,270.31,1.235,78.0293,98.86,21,3,4,JMEQWMWFBOVMPF-SSZFMOIBSA-N,C14H16N5O,N[NH]=c1[nH]nc2c(c1)CN(CC2)C(=O)c1ccccc1,"InChI=1S/C14H16N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8,16,18H,6-7,9,15H2/b16-13-",-4.2161,-3.8113,-3.6765,-3.6143,-3.3425,-3.0212,1.4413,1.5229,2.3593,2.3621,2.4275,D03994_C02DB03,200e0000008004a003080e00055108040000008000402242008800c0004010201c00448100488001008e221e0000028040022200000460002400000a002262800c2004408084000110002009828820848080006000a0200040080c00800000000c1a00020040000002040000640018011006811081051020085880c508001204,0400000000b001,020000000000000000008000120000000001000000009400000000000000000000004640403800,000000002004280019f4382e1a61f08b57a34d2b1f,0,12,24,2,0,2,36,38,-12.287,-5.29,0,0.0,0.000899908,+,0.9953,-,0.9953,https://www.genome.jp/dbget-bin/www_bget?dr:D03994
1727,D01804, Cadralazine (JP17/INN), Hydrazinophthalazine derivatives,C02DB04,CARDIOVASCULAR SYSTEM,c1c(nnc(c1)NNC(=O)OCC)N(C[C@H](C)O)CC,283.327,1.2206,75.2172,99.61,29,3,8,QLTVVOATEHFXLT-VIFPVBQESA-N,C12H21N5O3,CCOC(=O)NNc1ccc(nn1)N(CC(O)C)CC,"InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)/t9-/m0/s1",-5.3733,-3.5409,-3.5192,-3.3,-3.0264,-2.9948,1.5495,1.5566,1.624,2.0274,2.2071,D01804_C02DB04,000300200004000002000e0018020000c00000000000006802000000000012001080040000088062000c041c000110000c0632000400200c08010000000007100c411c00000002000000000002a0000000c000600400300001000010004400000000000020008000000000008800882000070000823018200d10400003400000,0000002c30b021,012800008000000000000000000000010040000100009000000000000000000000000600402804,000040002000080019d030668a3a9e2f5e37daff1f,0,6,34,1,0,9,41,41,-8.73,-0.040999999999999995,1,,0.010573586000000001,+,0.5763,-,0.5763,https://www.genome.jp/dbget-bin/www_bget?dr:D01804
1728,D00418, Minoxidil (JAN/USP/INN), Pyrimidine derivatives,C02DC01,CARDIOVASCULAR SYSTEM,c1(N2CCCCC2)cc(n(c(n1)N)O)N,210.25599999999997,1.7836,62.4345,93.33,20,3,5,UFQYXCIYQUOPHM-UHFFFAOYSA-N,C9H16N5O,Nc1cc(nc(n1O)N)N1CCCCC1,"InChI=1S/C9H16N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,15H,1-5H2,(H4,10,11,12)",-8.8303,-7.6414,-5.8325,-5.7099,-5.7013,-5.0671,3.0372,3.182,3.3165,3.4207,3.7943,D00418_C02DC01,002200000100180010000400000000000000001000000000000400000058010010001000000000000000031000010000010204000000000000000000000000001000000000000000000000000a1000010000015002002006a00100000000000000204020040000000800000000000000000c0000000010c01004000100000000,0100000000e001,020000000000004200000000000000000000000000000000400000000000000000000400c02204,001080012004312050943866aa42a0cb15676d291d,0,0,37,0,0,1,36,37,-7.939,0.381,0,0.0,3.61053e-05,-,0.6457,-,0.6457,https://www.genome.jp/dbget-bin/www_bget?dr:D00418
1729,D00418, Minoxidil (JAN/USP/INN), Other dermatologicals,D11AX01,DERMATOLOGICALS,c1(N2CCCCC2)cc(n(c(n1)N)O)N,210.25599999999997,1.7836,62.4345,93.33,20,3,5,UFQYXCIYQUOPHM-UHFFFAOYSA-N,C9H16N5O,Nc1cc(nc(n1O)N)N1CCCCC1,"InChI=1S/C9H16N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,15H,1-5H2,(H4,10,11,12)",-8.8303,-7.6414,-5.8325,-5.7099,-5.7013,-5.0671,3.0372,3.182,3.3165,3.4207,3.7943,D00418_D11AX01,002200000100180010000400000000000000001000000000000400000058010010001000000000000000031000010000010204000000000000000000000000001000000000000000000000000a1000010000015002002006a00100000000000000204020040000000800000000000000000c0000000010c01004000100000000,0100000000e001,020000000000004200000000000000000000000000000000400000000000000000000400c02204,001080012004312050943866aa42a0cb15676d291d,0,0,37,0,0,1,36,37,-7.939,0.381,0,0.0,3.61053e-05,-,0.6457,-,0.6457,https://www.genome.jp/dbget-bin/www_bget?dr:D00418
1730,D05482, Pinacidil (USAN), Guanidine derivatives,C02DG01,CARDIOVASCULAR SYSTEM,c1(/[NH]=C(/N[C@@H](C(C)(C)C)C)\NC#N)ccncc1,246.331,3.15998,73.1501,84.59,25,3,4,CIZRIIXROSYZOU-LFAWPXTESA-N,C13H20N5,N#CNC(=[NH]c1ccncc1)NC(C(C)(C)C)C,"InChI=1S/C13H20N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10,16-18H,1-4H3/b18-12+/t10-/m1/s1",-10.6947,-10.4741,-9.6309,-6.152,-5.5634,-5.4045,3.8132,3.8346,3.8360000000000003,3.8704,4.2697,D05482_C02DG01,40020000000000080000870010000000000000000080004000000000000009001000000400048022008001180021004001000000000020410000000100088000040014000000000008000040001800002000004404002010420002020002000000240000048000002000000000000400000e0000004010000000000042000000,0000000000b031,090040100000000000000000000000001040000000009000000000000000000000000640403804,000000010005000003b2000002824001543150a817,0,6,30,1,1,5,38,38,-13.812000000000001,-6.225,1,1.0,0.00041406300000000005,+,0.536,-,0.536,https://www.genome.jp/dbget-bin/www_bget?dr:D05482
1731,D00762, Metyrosine (USP), Tyrosine hydroxylase inhibitors,C02KB01,CARDIOVASCULAR SYSTEM,[C@@](C(=O)O)(Cc1ccc(cc1)O)(C)[NH3+],196.22299999999998,0.0199,53.6269,85.17,16,3,3,NHTGHBARYWONDQ-JTQLQIEISA-O,C10H14NO3+,Oc1ccc(cc1)CC(C(=O)O)([NH3+])C,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/p+1/t10-/m0/s1",-5.3849,-5.3595,-5.3557,-4.6022,-4.5349,-4.3903,1.7937,2.1466,2.3395,2.3677,2.6591,D00762_C02KB01,00040000000000000200060000000004000000000000120000000080000800001000408140000003000a001800010000010002000800400000000002000000000800080000000000000000000280000400b000400000100840080800000800000000000000000002000000000000000000060100000100200800000000000000,0500000c02f003,0300c0000400000000008800000000100000000000010000000000000000000000000200c02a04,00000000000021000200004280c005440444c2fe1f,0,6,21,1,0,3,28,28,-8.905,-0.264,1,,3.90538e-05,-,0.3519,-,0.3519,https://www.genome.jp/dbget-bin/www_bget?dr:D00762
1732,D08453, Pargyline (INN), MAO inhibitors,C02KC01,CARDIOVASCULAR SYSTEM,c1(C[N@H+](CC#C)C)ccccc1,160.236,0.3345,52.9517,4.44,14,1,0,DPWPWRLQFGFJFI-UHFFFAOYSA-O,C11H14N+,C#CC[NH+](Cc1ccccc1)C,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3/p+1",-6.435,-6.056,-5.8762,-4.6187,-1.392,-0.8867,1.5865,1.8545,2.0386,2.0603,2.2181,D08453_C02KC01,000200000000040000000600000100000000008000000000000000c000000000000060000000010000800008000000000000000000000000000000020000000000000000000410000000000002080000008000400000200040080000000000000010100200000000000000000020400000060100000100000000000000000000,0100000000f001,200040020400000000000000000000000000000000000000000000000000000000000200c02204,00000100000001000000321008000402000248a517,0,6,19,0,1,3,26,26,-13.432,-4.436,1,-1.0,0.000585741,+,0.2502,-,0.2502,https://www.genome.jp/dbget-bin/www_bget?dr:D08453
1733,D02564, Pargyline hydrochloride (USAN), MAO inhibitors,C02KC01,CARDIOVASCULAR SYSTEM,c1(C[N@H+](CC#C)C)ccccc1,160.236,0.3345,52.9517,4.44,14,1,0,DPWPWRLQFGFJFI-UHFFFAOYSA-O,C11H14N+,C#CC[NH+](Cc1ccccc1)C,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3/p+1",-6.4277,-6.0606,-5.8866,-4.6095,-1.381,-0.8864,1.5894,1.8549,2.0269999999999997,2.0321,2.2247,D02564_C02KC01,000200000000040000000600000100000000008000000000000000c000000000000060000000010000800008000000000000000000000000000000020000000000000000000410000000000002080000008000400000200040080000000000000010100200000000000000000020400000060100000100000000000000000000,0100000000f001,200040020400000000000000000000000000000000000000000000000000000000000200c02204,00000100000001000000321008000402000248a517,0,6,19,0,1,3,26,26,-13.432,-4.436,1,0.0,0.000591097,+,0.2502,-,0.2502,https://www.genome.jp/dbget-bin/www_bget?dr:D02564
1734,D02363, Ketanserin (USAN/INN), Serotonin antagonists,C02KD01,CARDIOVASCULAR SYSTEM,c12c(c(=O)n(c(=O)[nH]1)CC[N@@H+]1CC[C@@H](CC1)C(=O)c1ccc(cc1)F)cccc2,396.435,2.5759,114.266,76.37,26,2,4,FPCCSQOGAWCVBH-UHFFFAOYSA-O,C22H23FN3O3+,Fc1ccc(cc1)C(=O)C1CC[NH+](CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2,"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/p+1",-6.0285,-4.6033,-4.6023,-4.5951,-4.5348,-4.0173,1.7629,1.8211,1.8364,2.0216,2.2133,D02363_C02KD01,800e8000000008c012804600004000080100041000000020000000c00000040c140070024100802138020238000100c00102100000006000808000020000000004000c00c00830000010e00002900004009001500c10300de00808400109300600000020000000003040000000001c000006014202011000000c000102000200,1500000000f001,060040020400010000008000200000004043040000088d00000000000000000000004640c03a05,000000001002010001d4720f9b67b1c3a5e3ef6f1f,1,17,35,3,0,5,52,55,-12.106,-3.9819999999999998,0,1.0,0.136253282,-,1.9014,-,1.9014,https://www.genome.jp/dbget-bin/www_bget?dr:D02363
1735,D08099, Ketanserin tartrate, Serotonin antagonists,C02KD01,CARDIOVASCULAR SYSTEM,c12c(c(=O)n(c(=O)[nH]1)CC[N@@H+]1CC[C@@H](CC1)C(=O)c1ccc(cc1)F)cccc2,396.435,2.5759,114.266,76.37,26,2,4,FPCCSQOGAWCVBH-UHFFFAOYSA-O,C22H23FN3O3+,Fc1ccc(cc1)C(=O)C1CC[NH+](CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2,"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/p+1",-6.0358,-4.609,-4.6071,-4.5921,-4.5321,-3.9841,1.8142,1.8589,1.9306,1.9994,2.0595,D08099_C02KD01,800e8000000008c012804600004000080100041000000020000000c00000040c140070024100802138020238000100c00102100000006000808000020000000004000c00c00830000010e00002900004009001500c10300de00808400109300600000020000000003040000000001c000006014202011000000c000102000200,1500000000f001,060040020400010000008000200000004043040000088d00000000000000000000004640c03a05,000000001002010001d4720f9b67b1c3a5e3ef6f1f,1,17,35,3,0,5,52,55,-12.129000000000001,-3.98,0,1.0,0.136315659,-,1.9014,-,1.9014,https://www.genome.jp/dbget-bin/www_bget?dr:D08099
1736,D07538, Bosentan (INN), Antihypertensive for pulmonary arterial hypertension,C02KX01,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)C(C)(C)C)S(=O)(=O)Nc1nc(c2ncccn2)nc(OCCO)c1Oc1ccccc1OC,551.614,5.3577,144.91,154.03,40,2,11,GJPICJJJRGTNOD-UHFFFAOYSA-N,C27H29N5O6S,OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",-9.3663,-9.347000000000001,-9.2602,-4.4763,-4.1057,-4.1044,2.8295,2.8303,2.9589999999999996,3.7085,3.9117,D07538_C02KX01,e0052508004400500a0046202c0600042c00800800002210000200b0000a0000182040084400c4260019241a00024a8101602610002140080840001a002008042cc03c0205006a810301000a824404024098046004200408400808a0804310900808000000918002044000042a1000810006b9180a0500611810808016400004,0000001cd0b001,091806000000000000000000000004010000000000009000000024000000000000000640403800,00000080210044be97d38378a3b2b169defffffd1f,0,24,45,2,0,11,68,71,-9.195,-1.105,0,1.0,0.879291832,+,2.5723,-,2.5723,https://www.genome.jp/dbget-bin/www_bget?dr:D07538
1737,D01227, Bosentan (USAN), Antihypertensive for pulmonary arterial hypertension,C02KX01,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)C(C)(C)C)S(=O)(=O)Nc1nc(c2ncccn2)nc(OCCO)c1Oc1ccccc1OC,551.614,5.3577,144.91,154.03,40,2,11,GJPICJJJRGTNOD-UHFFFAOYSA-N,C27H29N5O6S,OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",-9.4711,-9.2762,-9.2496,-4.5017,-4.1192,-4.1107,2.78,2.9638,3.0116,3.6742,3.8613,D01227_C02KX01,e0052508004400500a0046202c0600042c00800800002210000200b0000a0000182040084400c4260019241a00024a8101602610002140080840001a002008042cc03c0205006a810301000a824404024098046004200408400808a0804310900808000000918002044000042a1000810006b9180a0500611810808016400004,0000001cd0b001,091806000000000000000000000004010000000000009000000024000000000000000640403800,00000080210044be97d38378a3b2b169defffffd1f,0,24,45,2,0,11,68,71,-9.196,-1.1059999999999999,0,,0.879305482,+,2.5723,-,2.5723,https://www.genome.jp/dbget-bin/www_bget?dr:D01227
1738,D07077, Ambrisentan (JAN/INN), Antihypertensive for pulmonary arterial hypertension,C02KX02,CARDIOVASCULAR SYSTEM,c1cccc(c1)C(c1ccccc1)(OC)[C@H](Oc1nc(cc(n1)C)C)C(=O)O,378.421,3.5156,104.59100000000001,81.54,27,1,6,OUJTZYPIHDYQMC-LJQANCHMSA-N,C22H22N2O4,COC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1,"InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1",-4.7082,-4.685,-4.5488,-4.4239999999999995,-3.1321,-2.658,2.1005,2.1314,2.1526,2.3324,2.3852,D07077_C02KX02,a0040004000000d002004200840200010000004000000000002000a100080000140140084000c025200a000840010200010000000800400500000082000000180c001c0200024620000111008080001400d8004004001c0840080801002b01004000000100000000004120004000008000060500000100001008000002000000,0400000c70b003,018002000000000000008800000000000000000000009000000000000000000000000600403804,00000000100000008390001102a29165007d93da1f,0,18,33,1,0,7,50,52,-4.551,3.032,1,0.0,0.000881041,+,0.8244,-,0.8244,https://www.genome.jp/dbget-bin/www_bget?dr:D07077
1739,D07171, Sitaxentan (USAN/INN), Antihypertensive for pulmonary arterial hypertension,C02KX03,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)CC(=O)c1c(ccs1)S(=O)(=O)Nc1onc(c1Cl)C)C)OCO2,454.905,5.115,107.18,144.35,22,1,9,PHWXUGHIIBDVKD-UHFFFAOYSA-N,C18H15ClN2O6S2,O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",-9.6958,-9.6514,-8.9817,-4.1755,-3.9513,-3.9283,2.3814,2.4132,2.5667,2.5883,3.8310000000000004,D07171_C02KX03,7047c3400022008882010f20060200110d008128200052000107109408301442940048106040cc28804b1858202b8408056222003020480008000002a02201074c902600013018e14114242412e4340da09808f40022304c40284800008a260082000020a048040200003040001020000802b1222a011a300808004252140104,1400000050b001,03000000000081400000000000000000400100000004f000000024000000000000004640403801,000000880900449fd5c1c5a971b7990dfaa9faff1f,0,16,28,3,0,6,44,47,-9.03,-1.847,0,2.0,0.72077024,+,2.6373,-,2.6373,https://www.genome.jp/dbget-bin/www_bget?dr:D07171
1740,D08517, Sitaxentan sodium (USAN), Antihypertensive for pulmonary arterial hypertension,C02KX03,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)CC(=O)c1c(ccs1)S(=O)(=O)Nc1onc(c1Cl)C)C)OCO2,454.905,5.115,107.18,144.35,22,1,9,PHWXUGHIIBDVKD-UHFFFAOYSA-N,C18H15ClN2O6S2,O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",-9.7312,-9.5997,-8.933,-4.1551,-3.9975,-3.9473,2.3903,2.4063,2.551,2.5627,3.8754,D08517_C02KX03,7047c3400022008882010f20060200110d008128200052000107109408301442940048106040cc28804b1858202b8408056222003020480008000002a02201074c902600013018e14114242412e4340da09808f40022304c40284800008a260082000020a048040200003040001020000802b1222a011a300808004252140104,1400000050b001,03000000000081400000000000000000400100000004f000000024000000000000004640403801,000000880900449fd5c1c5a971b7990dfaa9faff1f,0,16,28,3,0,6,44,47,-9.025,-1.847,0,1.0,0.720597327,+,2.6373,-,2.6373,https://www.genome.jp/dbget-bin/www_bget?dr:D08517
1741,D10135, Macitentan (JAN/USAN), Antihypertensive for pulmonary arterial hypertension,C02KX04,CARDIOVASCULAR SYSTEM,S(=O)(=O)(Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br)NCCC,588.273,5.1174,126.455,136.6,30,2,10,JGCMEBMXRHSZKX-UHFFFAOYSA-N,C19H20Br2N6O4S,CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br,"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)",-12.2913,-10.3845,-10.2965,-10.0709,-5.4464,-4.6839,3.365,3.3923,3.9648,4.2225,4.3848,D10135_C02KX04,e000212c084a004000004650084301045800820800021210000008800144040010484018400088340018201c40000a00024024410200400408a00082000002180c205c800002622103010008140000820090004004205400400800c01023008008280c00008000100841000404000084100629090a0500221880008026c00404,0000000050b001,030002000000000000000000000004010000000000109000004001000000000000000600403800,000000003124403a9591c22eabf6b769feeb6ffd1f,0,18,34,2,0,11,52,54,-9.925,-1.247,0,1.0,0.940264106,+,1.9514,-,1.9514,https://www.genome.jp/dbget-bin/www_bget?dr:D10135
1742,D09572, Riociguat (JAN/INN), Antihypertensive for pulmonary arterial hypertension,C02KX05,CARDIOVASCULAR SYSTEM,n1c(nc(c(c1N)N(C(=O)OC)C)N)c1c2c(n(n1)Cc1ccccc1F)nccc2,422.416,3.6051,113.758,138.07,28,2,10,WXXSNCNJFUAIDG-UHFFFAOYSA-N,C20H19FN8O2,COC(=O)N(c1c(N)nc(nc1N)c1nn(c2c1cccn2)Cc1ccccc1F)C,"InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)",-5.2359,-5.1298,-5.1006,-5.0914,-5.0853,-4.4714,2.2346,2.3178,2.387,2.418,3.4825,D09572_C02KX05,e002000088090cc009a446000c030205a10800106084022002000081036408000100708343288023308c011c000008c0000062a000006000006080030892220a0c201c00400006000010b00026980182009001400c823880d06804510403101000182800009000021640000060000c012006091a004118e0080e800006000000,0000000030b021,000000080000000000000000000000010040000100089800000000000000000000004600403800,000040002002182001d45cb01a67902f74a179ff1f,1,22,30,1,0,6,50,53,-8.824,-0.314,0,1.0,0.13987951,+,2.0543,-,2.0543,https://www.genome.jp/dbget-bin/www_bget?dr:D09572
1743,D00650, Bendroflumethiazide (JAN/USP/INN)," Thiazides, plain",C03AA01,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)Cc1ccccc1,421.415,4.9541,96.8628,135.12,21,3,7,HDWIHXWEUNVBIY-CQSZACIVSA-N,C15H14F3N3O4S2,O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)/t14-/m1/s1",-12.1551,-11.3825,-9.4372,-9.3698,-9.3689,-9.3355,3.9266,3.9998,4.878,5.5642,5.6776,D00650_C03AA01,6046010000e010008200066200844004ec040090a00000004401008018601402190050990000002000002118002010c0106400000000400a000000028021040000000000400032904100000901800040048000e00c202008503848001000004009200100000401080000000418000820200eb103000110410230802052400000,0000000000b021,020100000000004003000000000000000000000000000000000024000000000000004640603804,000000802906549e14918920b3c79049e6e96b6c1f,3,12,27,4,0,4,41,43,-9.997,-1.5,1,0.0,0.515053093,-,2.2869,-,2.2869,https://www.genome.jp/dbget-bin/www_bget?dr:D00650
1744,D00654, Hydroflumethiazide (JAN/USP/INN)," Thiazides, plain",C03AA02,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)NCN2,331.292,3.3428,67.5688,135.12,15,3,7,DMDGGSIALPNSEE-UHFFFAOYSA-N,C8H8F3N3O4S2,FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",-12.1682,-11.3939,-9.4092,-9.3726,-9.371,-9.3706,3.9123,3.9951,4.8921,5.564,5.8402,D00654_C03AA02,6042010000c010008000066000844000ec040090a00000004000008010601400080050080000002000002108002000c0106000000000400a000000028021040000000000400032904100000900800040048000e00c202000503800001000004009200100000400080000000418000000200ab102000110010030800012400000,0000000000b021,000100000000004003000000000000000000000000000000000024000000000000004640603800,000000880906549e14918b203b879049e6e96b691f,3,6,19,4,0,2,28,29,-10.101,-1.5290000000000001,0,1.0,0.106530868,-,1.6655,-,1.6655,https://www.genome.jp/dbget-bin/www_bget?dr:D00654
1745,D00340, Hydrochlorothiazide (JP17/USP/INN)," Thiazides, plain",C03AA03,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)S(=O)(=O)N)Cl)NCNS2(=O)=O,297.73900000000003,2.9774,67.5768,135.12,15,3,7,JZUFKLXOESDKRF-UHFFFAOYSA-N,C7H8ClN3O4S2,Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",-12.1014,-11.3686,-9.3857,-9.3832,-9.3734,-9.3636,3.9104,3.9106,3.9238,4.8416,5.5223,D00340_C03AA03,6040030000c000008000066000840000cc040000a00000104000080010601000080050080000002000010108002000c0006000000000400a000000000021040000000000400022904100000006800002008800a004202000407800001000004009200000000000080000001410000000200ab002000000010022800012c00000,0000000000b021,000000000000004003000000000000000000000000040000000024000000000000004640403800,000000880904549e1491cb207b879049e6e96b691f,0,6,16,4,0,1,25,26,-10.097999999999999,-1.382,0,1.0,0.071916021,-,1.0849,-,1.0849,https://www.genome.jp/dbget-bin/www_bget?dr:D00340
1746,D00519, Chlorothiazide (JAN/USP/INN)," Thiazides, plain",C03AA04,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)S(=O)(=O)N)Cl)[NH]=CNS2(=O)=O,296.731,2.7796,68.8338,146.94,14,3,6,CAOKIZYGJRJGSZ-UHFFFAOYSA-N,C7H7ClN3O4S2,Clc1cc2[NH]=CNS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1S/C7H7ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3,10-11H,(H2,9,12,13)",-12.1106,-10.8002,-10.7995,-9.9162,-9.3993,-9.399,3.682,3.9147,3.915,4.8198,5.2284,D00519_C03AA04,600103040000000000008660000400004c080008a00008500000080800600800080050080000002000010018000000c0006000000000400100000000002d000408000000c00022800900004006000202008800200420000042c8000000000040012c00000000000800000114128000002002b100000000210822800012c00002,0000000000b021,000040100000000000008000000000000000000000040000000024000000000000004640433800,000000800904549e14b1c9207387d049e6e96b681f,0,6,14,5,0,1,24,25,-14.282,-6.591,0,0.0,1.67382e-05,-,0.8718,-,0.8718,https://www.genome.jp/dbget-bin/www_bget?dr:D00519
1747,D03471, Chlorothiazide sodium (USP)," Thiazides, plain",C03AA04,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)S(=O)(=O)N)Cl)[NH]=CNS2(=O)=O,296.731,2.7796,68.8338,146.94,13,3,6,CAOKIZYGJRJGSZ-UHFFFAOYSA-N,C7H7ClN3O4S2,Clc1cc2[NH]=CNS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1S/C7H7ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3,10-11H,(H2,9,12,13)",-12.1106,-10.8002,-10.7995,-9.9162,-9.3993,-9.399,3.682,3.9147,3.915,4.8198,5.2284,D03471_C03AA04,600103040000000000008660000400004c080008a00008500000080800600800080050080000002000010018000000c0006000000000400100000000002d000408000000c00022800900004006000202008800200420000042c8000000000040012c00000000000800000114128000002002b100000000210822800012c00002,0000000000b021,000040100000000000008000000000000000000000040000000024000000000000004640433800,000000800904549e14b1c9207387d049e6e96b681f,0,6,14,5,0,1,24,25,-15.19,-12.833,0,,2.14098e-05,-,0.8728,-,0.8728,https://www.genome.jp/dbget-bin/www_bget?dr:D03471
1748,D00657, Polythiazide (JAN/USAN/INN)," Thiazides, plain",C03AA05,CARDIOVASCULAR SYSTEM,c12c(cc(c(c2)Cl)S(=O)(=O)N)S(=O)(=O)N([C@@H](N1)CSCC(F)(F)F)C,439.88199999999995,4.5928,94.6811,151.63,21,2,8,CYLWJCABXYDINA-SNVBAGLBSA-N,C11H13ClF3N3O4S3,CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m1/s1",-12.145,-10.5692,-9.3957,-9.3588,-9.3583,-9.3522,3.6949,3.8964,3.9085,4.4972,5.5466,D00657_C03AA05,6042030a00e00000c000066200840000cc040090a040001044000c001860100608405008000202200001010a002110c0006000088000400a000004000021040408000100400022904100040006804042008800e004202000407c00021000004009200000001000080000001410000800200eb003000010210222804016c00000,0000000000b121,000101001000004203000000000000000000000000040000000024000000000000004640603804,000000802902449e1495e934f3c7984be6eb6bed1f,3,6,29,4,0,5,38,39,-9.727,-1.464,1,,0.344543725,-,2.6674,-,2.6674,https://www.genome.jp/dbget-bin/www_bget?dr:D00657
1749,D00658, Trichlormethiazide (JP17/USP/INN)," Thiazides, plain",C03AA06,CARDIOVASCULAR SYSTEM,c12c(N[C@H](NS2(=O)=O)C(Cl)Cl)cc(c(c1)S(=O)(=O)N)Cl,380.656,4.1497,81.9758,135.12,15,3,7,LMJSLTNSBFUCMU-MRVPVSSYSA-N,C8H8Cl3N3O4S2,ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1",-12.0977,-11.4228,-9.3929,-9.3914,-9.3785,-9.3781,3.9063,3.9065,3.9066,4.7995,5.5355,D00658_C03AA06,6042030000e000008000066200840000cc040000a00000104400080858601002080050080000002000010108002010c0006000000000400a000104000021040000000000400022904100000006900002008800e004202000407800003000084009200000000000080000001412000800200eb003002000010222800012c00400,0000000000b021,800000000000004003000000000000000000000000040000000024000000000000004640403804,000000802904549e1491c92073879049e6e96b681f,0,6,19,4,0,2,28,29,-10.337,-1.6159999999999999,1,,0.20251213,-,1.165,-,1.165,https://www.genome.jp/dbget-bin/www_bget?dr:D00658
1750,D02061, Cyclopenthiazide (JAN/USAN/INN)," Thiazides, plain",C03AA07,CARDIOVASCULAR SYSTEM,c12c(cc(c(c1)Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)CC1CCCC1,379.88300000000004,4.9263,94.3048,135.12,25,3,7,BKYKPTRYDKTTJY-CYBMUJFWSA-N,C13H18ClN3O4S2,Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)/t13-/m1/s1",-12.0796,-11.4346,-9.4001,-9.3795,-9.3674,-9.3566,3.8921,3.8948,3.9376,4.8499,5.5469,D02061_C03AA07,7042030000e002008000066300840000cc040010a00000104401080018601002180050180000002010010118002010c0016400000020400a000000000021040000000000400062904100000006800002008801e004202000c07840001000004009200000000000080020001410000820200eb003000010010222800112c00000,0000000000b021,060000000000004003000000000000000000000000040000000024000000000000004640403804,000000802904549e1491c9a4f3c7b0c9e7e96f6c1f,0,6,33,4,0,3,41,43,-9.968,-1.27,1,,0.34969398399999996,-,1.7244,-,1.7244,https://www.genome.jp/dbget-bin/www_bget?dr:D02061
1751,D00656, Methyclothiazide (JAN/USP/INN)," Thiazides, plain",C03AA08,CARDIOVASCULAR SYSTEM,c12c(cc(c(c2)Cl)S(=O)(=O)N)S(=O)(=O)N([C@@H](N1)CCl)C,360.23699999999997,3.5361,82.0811,126.33,18,2,7,CESYKOGBSMNBPD-SECBINFHSA-N,C9H11Cl2N3O4S2,ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N,"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)/t9-/m1/s1",-12.0995,-10.5595,-9.3952,-9.3756,-9.3623,-9.3558,3.6931,3.9087,3.9105,4.4694,5.5315,D00656_C03AA08,6042030000e000008000066200840000cc040000a00000104400080818601002080050080000022000010108002110c0006000000000400a000104000021040000000000400022904100000006900002008800e004202000407800003000084009200000000000080000001412000800200eb003002000010222800016c00400,0000000000b021,800000000000004203000000000000000000000000040000000024000000000000004640403804,000000802900449e1495c930f3c7984be6e96bed1f,0,6,22,4,0,2,31,32,-10.269,-1.5190000000000001,1,1.0,0.150274813,-,1.0348,-,1.0348,https://www.genome.jp/dbget-bin/www_bget?dr:D00656
1752,D01256, Cyclothiazide (JAN/USAN/INN)," Thiazides, plain",C03AA09,CARDIOVASCULAR SYSTEM,[C@H]12C[C@H](C[C@@H]1[C@H]1Nc3c(cc(c(c3)Cl)S(=O)(=O)N)S(=O)(=O)N1)C=C2,389.87800000000004,4.5582,96.5238,135.12,23,3,7,BOCUKUHCLICSIY-JWUFEOHASA-N,C14H16ClN3O4S2,Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9+,14+/m1/s1",-12.102,-11.4041,-9.3975,-9.3721,-9.372,-9.3708,3.9008,3.9012,3.9019,4.8933,5.5349,D01256_C03AA09,7042030000e002248000066300840004cc040090a04040104401280018603002180050180080002010010118002010c0016400000020410a200000000061040000000000400462904100000006800202008801e004202000c0785000100000500b240000000000080020001410000820200eb003000010010222800112c00000,0000000000b021,16000000000000400300000000000000000000000004000000002400000000000000c640433804,00000080290454be1491c9a677879049e7e96b681f,0,6,32,5,0,2,40,43,-9.923,-1.29,4,1.0,0.18532142,-,2.2099,-,2.2099,https://www.genome.jp/dbget-bin/www_bget?dr:D01256
1753,D07172, Mebutizide (INN)," Thiazides, plain",C03AA13,CARDIOVASCULAR SYSTEM,c1(c(cc2c(c1)S(=O)(=O)N[C@@H](N2)[C@H]([C@@H](CC)C)C)Cl)S(=O)(=O)N,381.899,5.0282,96.4188,135.12,27,3,7,KJLLKLRVCJAFRY-BFHDXFOESA-N,C13H20ClN3O4S2,CCC(C(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)C)C,"InChI=1S/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)/t7-,8+,13-/m1/s1",-12.094000000000001,-11.4014,-9.4149,-9.3666,-9.362,-9.3556,3.8864,3.8925,3.9722,4.819,5.5451,D07172_C03AA13,7042030000e000008000066200840000cc040010a00000104401080018601002180050180000002000010118002010c0016400000000400a000000000021040000000000400062904100000006800002008801e004202000c07840001000004009200000000000080020001410000820200eb003000010010222800112c00000,0000000000b021,070000000000004003000000000000000000000000040000000024000000000000004640403804,000000802904549e1491c92473879e49e6f97bec1f,0,6,34,4,0,4,43,44,-9.923,-1.2670000000000001,3,-1.0,0.21899305300000002,+,1.1634,-,1.1634,https://www.genome.jp/dbget-bin/www_bget?dr:D07172
1754,D00461, Quinethazone (JAN/INN)," Sulfonamides, plain",C03BA02,CARDIOVASCULAR SYSTEM,c12c(cc(c(c2)Cl)S(=O)(=O)N)C(=O)N[C@H](N1)CC,289.73900000000003,3.1267,74.2913,109.67,18,3,6,AGMMTXLNIQSRCG-VIFPVBQESA-N,C10H12ClN3O3S,CCC1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)/t9-/m0/s1",-12.1111,-9.3832,-9.382,-5.7909,-5.7892,-5.7631,2.6449,3.6926,3.6936,3.8814,3.9076,D00461_C03BA02,214203c0000004a00100062000810000c810008000000400000008c0002010001c0040080000022000870318000110c0016a800000000108020040020040040002010000c004228001000000468800020088006004202001404808200000800109300002040000084200114030010020000eb103004110010138800016c00010,0400000000b021,030000000000000003008000200000004003000000040000000024000000000000004640403804,000000802104549e1491c928f3e79249e6e16bee1f,0,6,22,3,0,2,30,31,-9.637,-0.975,1,2.0,0.270140916,-,0.7933,-,0.7933,https://www.genome.jp/dbget-bin/www_bget?dr:D00461
1755,D02460, Clopamide (USAN/INN)," Sulfonamides, plain",C03BA03,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)C(=O)N[N@@H+]1[C@@H](CCC[C@@H]1C)C)S(=O)(=O)N)Cl,346.853,4.2192,89.9443,102.08,26,3,5,VBFLBQUVEKMUCU-AOOOYVTPSA-O,C14H21ClN3O3S+,O=C(c1ccc(c(c1)Cl)S(=O)(=O)N)N[NH+]1C(C)CCCC1C,"InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-13(12(15)8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1/t9-,10+",-12.1206,-9.42,-9.3578,-5.7782,-5.7776,-4.3744,2.1149,2.3894,3.6822,3.6873,3.9176,D02460_C03BA03,a80207000000068002084e2000000001280000100000000000000880002000001c0040080040004010870a18000000800122000000200004010000020000000004000000800020a001002000068800020088017008203000d848000000000002001000200000000400000000080000000006b100000110010018800914800000,0500000000f001,030000000000000000008000000000000001000000040000000024000000000000000640c02a04,0000008001004d9e1c05c96ee2ee3c8bb6a17fea1f,0,6,35,3,0,4,43,44,-13.280999999999999,-4.795,2,,0.006949621,-,0.9884,-,0.9884,https://www.genome.jp/dbget-bin/www_bget?dr:D02460
1756,D00272, Chlorthalidone (USP)," Sulfonamides, plain",C03BA04,CARDIOVASCULAR SYSTEM,c1cccc2c1C(=O)N[C@]2(c1ccc(c(c1)S(=O)(=O)N)Cl)O,338.76599999999996,3.0341,82.9344,117.87,17,3,6,JIVPVXMEBJLZRO-CQSZACIVSA-N,C14H11ClN2O4S,O=C1NC(c2c1cccc2)(O)c1ccc(c(c1)S(=O)(=O)N)Cl,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m1/s1",-12.1393,-9.3957,-9.3529,-6.3622,-6.0316,-5.8035,3.1723,3.4315,3.6369,3.6971,3.9023,D00272_C03BA04,20060300000004c00300062080010002080000c000000400000428e0002000003c00400800400000e08702080000008000200000008001000000000200200000880118008004208001002000e688000200c80060002020084048080000038003001000034004000000c00100000100000006b11000e110010008800018800000,0400000c00b001,000000000000000003008000200000000001000000040000000024000000000000004640402804,00000080010444be1401cda970a71049a6edeb7a1f,0,12,20,3,0,2,33,35,-10.645,-1.425,1,,0.345407635,-,0.7916,-,0.7916,https://www.genome.jp/dbget-bin/www_bget?dr:D00272
1757,D01877, Mefruside (JP17/USAN/INN)," Sulfonamides, plain",C03BA05,CARDIOVASCULAR SYSTEM,c1(S(=O)(=O)N(C[C@@]2(CCCO2)C)C)cc(c(cc1)Cl)S(=O)(=O)N,382.88300000000004,4.0389,86.2874,123.53,26,1,7,SMNOERSLNYGGOU-ZDUSSCGKSA-N,C13H19ClN2O5S2,Clc1ccc(cc1S(=O)(=O)N)S(=O)(=O)N(CC1(C)CCCO1)C,"InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)/t13-/m0/s1",-12.0639,-10.3556,-9.4124,-9.3635,-9.3581,-9.3548,3.1165,3.6854,3.6882,3.8947,3.8959,D01877_C03BA05,700203000000000000000660000600000c00001080000010040008002024001258005058000010130001001820000080016400080000400000000000002000000800080008106a8001000001060000020088016000202000c048400000000440000000000000000000000014c00008002006b181000010010002800110c00000,0000000030b001,038000000000000000000000000000000000000000040000000024000000000000000640402804,000000800100449f1601edf0689e3c8aababfefd1f,0,6,33,4,0,5,42,43,-10.052999999999999,-1.4709999999999999,1,0.0,0.17429815199999998,+,1.1812,-,1.1812,https://www.genome.jp/dbget-bin/www_bget?dr:D01877
1758,D01822, Clofenamide (JAN/INN)," Sulfonamides, plain",C03BA07,CARDIOVASCULAR SYSTEM,c1(ccc(c(c1)S(=O)(=O)N)Cl)S(=O)(=O)N,270.714,3.197,53.4408,137.08,13,2,6,NENBAISIHCWPKP-UHFFFAOYSA-N,C6H7ClN2O4S2,Clc1ccc(cc1S(=O)(=O)N)S(=O)(=O)N,"InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)",-12.1495,-12.1438,-9.3876,-9.3872,-9.3825,-9.3682,3.6948,3.9003,3.9017,3.9022,3.9076,D01822_C03BA07,200003000000000000000260000000000800000080000010000008000020000008005008000000000001000800000080002000000000000000000000000000000000000000002280010000000600000200880020002000004048000000000000000000000000000000000014000000002002b000000000010002800010c00000,0000000000b001,000000000000000000000000000000000000000000040000000024000000000000000240402800,000000800100449e1401c92060861008a6a86a481f,0,6,12,4,0,2,22,22,-11.157,-1.48,0,-1.0,0.058271457,-,0.7826,-,0.7826,https://www.genome.jp/dbget-bin/www_bget?dr:D01822
1759,D00431, Metolazone (JAN/USP/INN)," Sulfonamides, plain",C03BA08,CARDIOVASCULAR SYSTEM,c12c(N[C@@H](N(C1=O)c1c(cccc1)C)C)cc(c(c2)S(=O)(=O)N)Cl,365.835,4.6982,99.5896,100.88,22,2,6,AQCHWTWZEMGIFD-JTQLQIEISA-N,C16H16ClN3O3S,CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)/t10-/m0/s1",-12.1156,-9.385,-9.3803,-5.7906,-5.7899,-5.7214,2.3915,2.496,3.6916,3.6936,3.9056,D00431_C03BA08,214203c0000004800100062000810000c810008010000400000008c0002010001c0044080020032000870308000110c00168800000000108220040030040040000010000c0042280010010004688000200c8006004202801404808200000800109300002040000084200114030010200400eb103004100010128800016c00010,0400000000b021,010000000000000003008000200000004003000000040000000024000000000000004640403804,00000080210044be1495d92873a7904bf6e17bea1f,0,12,27,3,0,2,40,42,-9.525,-0.986,1,0.0,0.64888835,-,0.8179,-,0.8179,https://www.genome.jp/dbget-bin/www_bget?dr:D00431
1760,D01605, Meticrane (JP17/INN)," Sulfonamides, plain",C03BA09,CARDIOVASCULAR SYSTEM,C1CCc2c(S1(=O)=O)cc(c(c2)C)S(=O)(=O)N,275.345,3.2242,63.1554,111.06,18,1,5,FNQQBFNIYODEMB-UHFFFAOYSA-N,C10H13NO4S2,Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N,"InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)",-12.1303,-9.3833,-9.3769,-7.7739,-7.7713,-5.7981,2.4094,3.6509,3.6845,3.9058,3.9131,D01605_C03BA09,2004010100000010120003600000000028000000c00000000000008000200004190054080001800101208408000100a0012000001040000000000002800000040840080000003282010005040000010800800860002050084048080000080004000000000000400020000004090000001002b100000102010012800410600000,0000000000b101,030000000000000000000000000000000000000000000000800024000000000000004640403801,000000800900449e14018920328b30c88ac96fc91f,0,6,21,4,0,1,30,31,-10.954,-1.439,0,2.0,0.12143213300000001,+,0.8247,-,0.8247,https://www.genome.jp/dbget-bin/www_bget?dr:D01605
1761,D06341, Xipamide (USAN)," Sulfonamides, plain",C03BA10,CARDIOVASCULAR SYSTEM,c1(cc(c(cc1O)Cl)S(=O)(=O)N)C(=O)Nc1c(cccc1C)C,354.809,4.4162,88.6156,117.87,21,3,6,MTZBBNMLMNBNJL-UHFFFAOYSA-N,C15H15ClN2O4S,O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C,"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)",-12.1241,-9.4062,-9.3346,-5.7949,-5.7857,-3.6354,2.1721,2.3889,3.6884,3.6906,3.9027,D06341_C03BA10,20020340000004840100062000810000881000801000040000000880002000000c0044080020012000870208000010c00020020000080108000000020000040008210000c0002280030010004688000200c80060042028004048080000000001001400020000001240000300210100000006b100004100210948800012c00000,0400000402b001,0100000000000000000080000a000000c001000000050000000024000000000000000240403800,000000800100549e1401c92961a61148f6ecfbfa1f,0,12,24,3,0,4,38,39,-9.588,-1.3359999999999999,0,0.0,0.478901476,-,0.5834,-,0.5834,https://www.genome.jp/dbget-bin/www_bget?dr:D06341
1762,D00345, Indapamide (JP17/USP)," Sulfonamides, plain",C03BA11,CARDIOVASCULAR SYSTEM,c1cccc2c1C[C@H](N2NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)C,365.835,4.3204,94.9576,100.88,22,2,6,NDDAHWYSQHTHNT-SNVBAGLBSA-N,C16H16ClN3O3S,CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m1/s1",-12.1145,-9.3958,-9.3688,-5.7891,-5.7891,-3.6367,2.1653,2.3919,3.6923,3.6957,3.9082,D00345_C03BA11,a00707600000048002004e2000800005881400080080040400000890002000001d0060890048006400a7621c000110c0012020000c00020c00000002000004004c010000c00122a00100200046880002008800600c20300848480c0000480003001000002080000040000100200100210006b100004118010108800816c00000,0400000000b001,030000000000000000008000000000000001000000040000000024000000000000004640402804,0000008001004c9e1405cdee70e7140bf6a16bea1f,0,12,27,3,0,4,40,42,-8.649,-1.288,1,,0.299849272,+,0.7866,-,0.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D00345
1763,D06401, Indapamide hydrate," Sulfonamides, plain",C03BA11,CARDIOVASCULAR SYSTEM,c1cccc2c1C[C@H](N2NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)C,365.835,4.3204,94.9576,100.88,22,2,6,NDDAHWYSQHTHNT-SNVBAGLBSA-N,C16H16ClN3O3S,CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m1/s1",-12.0975,-9.4066,-9.3625,-5.7946,-5.7935,-3.6387,2.1801,2.3903,3.6832,3.6935,3.8904,D06401_C03BA11,a00707600000048002004e2000800005881400080080040400000890002000001d0060890048006400a7621c000110c0012020000c00020c00000002000004004c010000c00122a00100200046880002008800600c20300848480c0000480003001000002080000040000100200100210006b100004118010108800816c00000,0400000000b001,030000000000000000008000000000000001000000040000000024000000000000004640402804,0000008001004c9e1405cdee70e7140bf6a16bea1f,0,12,27,3,0,4,40,42,-8.658999999999999,-1.286,1,1.0,0.29974705,+,0.7866,-,0.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D06401
1764,D01436, Clorexolone (JAN/USAN/INN)," Sulfonamides, plain",C03BA12,CARDIOVASCULAR SYSTEM,c1(c(cc2c(c1)C(=O)N(C2)C1CCCCC1)Cl)S(=O)(=O)N,328.814,3.9949,84.2249,88.85,22,1,5,VPMWFZKOWULPGT-UHFFFAOYSA-N,C14H17ClN2O3S,O=C1N(Cc2c1cc(c(c2)Cl)S(=O)(=O)N)C1CCCCC1,"InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)",-12.1076,-9.3937,-9.3738,-5.7913,-5.7908,-3.7212,2.3042,2.3904,3.6888,3.6913,3.9036,D01436_C03BA12,20020340000004a001000620000100002800009000400400000028c0002000001c0050080000000090870e180000028001220000002001020000000200200000000100008004208001002000468800020088016000202000c848080000000001001000228000000400800100280100000006b110004110010118800910800000,0400000000b001,020000000000000000008000200000000001000000040000000024000000000000004640403800,00000080010044be1405dda878e730cbb3e16f6b1f,0,6,31,3,0,2,38,40,-9.997,-1.245,0,0.0,0.601076841,+,0.7444,-,0.7444,https://www.genome.jp/dbget-bin/www_bget?dr:D01436
1765,D04161, Fenquizone (USAN/INN)," Sulfonamides, plain",C03BA13,CARDIOVASCULAR SYSTEM,c1(c(cc2c(c1)N[C@@H](NC2=O)c1ccccc1)S(=O)(=O)N)Cl,337.781,4.0894,89.1643,109.67,18,3,6,DBDTUXMDTSTPQZ-ZDUSSCGKSA-N,C14H12ClN3O3S,O=C1NC(Nc2c1cc(c(c2)Cl)S(=O)(=O)N)c1ccccc1,"InChI=1S/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)/t13-/m0/s1",-12.1101,-9.3859,-9.3807,-7.0057,-5.9707,-5.7909,2.6444,3.6922,3.6931,3.8886,3.9067,D04161_C03BA13,214203c0000004800100062000810000c810008000000400000008c0002010001c0044080000032000870308000110c00168800000000108020040020060040000010000c0042280010000004688000200c8006004202001404808200000800109300002040000084200114030010000000eb103004100010128800016c00010,0400000000b021,000000000000000003008000200000004003000000040000000024000000000000004640403804,00000080210454be1491c92873a79049e6e16b6a1f,0,12,21,3,0,2,34,36,-9.656,-0.9890000000000001,1,,0.652527273,-,0.6698,-,0.6698,https://www.genome.jp/dbget-bin/www_bget?dr:D04161
1766,D03487, Cicletanine (USAN/INN), Other low-ceiling diuretics,C03BX03,CARDIOVASCULAR SYSTEM,c12c([C@H](OC2)c2ccc(cc2)Cl)cnc(c1O)C,261.704,3.3686,69.626,42.35,15,1,3,CVKNDPRBJVBDSS-CQSZACIVSA-N,C14H12ClNO2,Clc1ccc(cc1)C1OCc2c1cnc(c2O)C,"InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3/t14-/m1/s1",-3.1458,-2.3561,-1.3279,-1.0947,-1.0884,-1.0556,0.6673,0.6988,0.9922,1.0747,1.2888,D03487_C03BX03,20040200040000c002000200840240060000004040000c08002200a00024040014004200004080206085002820000044000002400004210004020002010801000c200c0a0000020000802100a408008200880040040000085808080000014010000820050024000004c000083010040010020510004100600848004a02800008,0000000432b001,018000000000000000000000000000000000000000059000000000000000000000004600403004,0000000000000021010044c3531d814120c5a1d91f,0,12,20,0,0,1,30,32,-9.749,-0.129,1,1.0,0.369025946,+,6.3034,-,6.3034,https://www.genome.jp/dbget-bin/www_bget?dr:D03487
1767,D07697, Cicletanine hydrochloride, Other low-ceiling diuretics,C03BX03,CARDIOVASCULAR SYSTEM,c12c([C@H](OC2)c2ccc(cc2)Cl)cnc(c1O)C,261.704,3.3686,69.626,42.35,15,1,3,CVKNDPRBJVBDSS-CQSZACIVSA-N,C14H12ClNO2,Clc1ccc(cc1)C1OCc2c1cnc(c2O)C,"InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3/t14-/m1/s1",-3.1458,-2.3561,-1.3279,-1.0947,-1.0884,-1.0556,0.6673,0.6988,0.9922,1.0747,1.2888,D07697_C03BX03,20040200040000c002000200840240060000004040000c08002200a00024040014004200004080206085002820000044000002400004210004020002010801000c200c0a0000020000802100a408008200880040040000085808080000014010000820050024000004c000083010040010020510004100600848004a02800008,0000000432b001,018000000000000000000000000000000000000000059000000000000000000000004600403004,0000000000000021010044c3531d814120c5a1d91f,0,12,20,0,0,1,30,32,-9.75,-0.128,1,0.0,0.369159371,+,6.3034,-,6.3034,https://www.genome.jp/dbget-bin/www_bget?dr:D07697
1768,D00331, Furosemide (JP17/USP/INN)," Sulfonamides, plain",C03CA01,CARDIOVASCULAR SYSTEM,c1(c(cc(c(c1)S(=O)(=O)N)Cl)NCc1occc1)C(=O)O,330.744,3.7448,75.4644,131.01,16,3,7,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,C12H11ClN2O5S,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",-12.1506,-9.381,-9.3727,-5.7944,-5.7922,-4.8685,2.5366,2.6125,3.6361,3.7052,3.9075,D00331_C03CA01,20020340000000c00000862000810000c81000881000140400000880202880000c004c0800000120208b0208000010c00060000008000008000000020040040008010800e000228009000000868c004600d80060242020004048080000418002081020020000000940400100300100040006b101008118010128a00092c00110,0400000c00b023,00004080000000000000880000000000400300000004a000000024000000000000000640403800,000000800100549f1401cfe06986100cfeadea7f1f,0,11,19,3,0,5,32,33,-5.309,1.795,0,-3.0,8.17676e-05,+,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D00331
1769,D07999, Sodium furosemide," Sulfonamides, plain",C03CA01,CARDIOVASCULAR SYSTEM,c1(c(cc(c(c1)S(=O)(=O)N)Cl)NCc1occc1)C(=O)O,330.744,3.7448,75.4644,131.01,16,3,7,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,C12H11ClN2O5S,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",-12.1063,-9.4103,-9.3623,-5.7896,-5.7891,-4.8877,2.5212,2.5831,3.6922,3.6953,3.9133,D07999_C03CA01,20020340000000c00000862000810000c81000881000140400000880202880000c004c0800000120208b0208000010c00060000008000008000000020040040008010800e000228009000000868c004600d80060242020004048080000418002081020020000000940400100300100040006b101008118010128a00092c00110,0400000c00b023,00004080000000000000880000000000400300000004a000000024000000000000000640403800,000000800100549f1401cfe06986100cfeadea7f1f,0,11,19,3,0,5,32,33,-5.307,1.7919999999999998,0,1.0,8.17758e-05,+,0.5355,-,0.5355,https://www.genome.jp/dbget-bin/www_bget?dr:D07999
1770,D08001, Furosemide diolamine," Sulfonamides, plain",C03CA01,CARDIOVASCULAR SYSTEM,c1(c(cc(c(c1)S(=O)(=O)N)Cl)NCc1occc1)C(=O)O,330.744,3.7448,75.4644,131.01,16,3,7,ZZUFCTLCJUWOSV-UHFFFAOYSA-N,C12H11ClN2O5S,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",-12.1371,-9.4701,-9.2965,-5.8327,-5.7627,-4.8836,2.5527,2.9434,3.6933,3.6937,3.9131,D08001_C03CA01,20020340000000c00000862000810000c81000881000140400000880202880000c004c0800000120208b0208000010c00060000008000008000000020040040008010800e000228009000000868c004600d80060242020004048080000418002081020020000000940400100300100040006b101008118010128a00092c00110,0400000c00b023,00004080000000000000880000000000400300000004a000000024000000000000000640403800,000000800100549f1401cfe06986100cfeadea7f1f,0,11,19,3,0,5,32,33,-5.308,1.7919999999999998,0,1.0,8.18543e-05,+,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D08001
1771,D00247, Bumetanide (JP17/USP/INN)," Sulfonamides, plain",C03CA02,CARDIOVASCULAR SYSTEM,c1(c(cc(cc1S(=O)(=O)N)C(=O)O)NCCCC)Oc1ccccc1,364.416,4.8906,94.6384,127.1,26,3,7,MAEIEVLCKWDQJH-UHFFFAOYSA-N,C17H20N2O5S,CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",-12.1823,-9.5417,-9.298,-5.7981,-5.7612,-4.8953,2.4325,2.5855,3.6437,3.7457,3.8864,D00247_C03CA02,28020140000400c00400062060824220880020110008422000000080008004001c80401800000020280a0218020050c10120028000200008000000020102040108430810c101228101000000028000002080006004202000d008000000010002000000000002040200600300201300a00006b100098110610908800012400004,0400000c90b023,030044800000000000008800000000000001000000000000000024000000000000000240402800,000000800100449e14018b63a9c23f6cd6ecefff1f,0,12,31,3,0,8,45,46,-5.071000000000001,1.6469999999999998,0,1.0,0.001067381,-,0.6227,-,0.6227,https://www.genome.jp/dbget-bin/www_bget?dr:D00247
1772,D01634, Piretanide (JAN/USAN/INN)," Sulfonamides, plain",C03CA03,CARDIOVASCULAR SYSTEM,C1CN(CC1)c1c(c(cc(c1)C(=O)O)S(=O)(=O)N)Oc1ccccc1,362.4,4.2708,95.5537,118.31,24,2,7,UJEWTUDSLQGTOA-UHFFFAOYSA-N,C17H18N2O5S,OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1,"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)",-12.093,-9.4109,-9.3127,-5.8319,-5.7832,-4.3954,2.3862,2.5493,3.6804,3.7197,3.9018,D01634_C03CA03,28020140000400c00400062060824220880020110008422000000080008004001c80401800000020280a0218020050c10120028000200008000000020102040108430810c101228101000000028000002080006004202000d008000000010002000000000002040210600300201300a00006b100098110610908800012400004,0400000c90b023,020044000100000000008800000000000001000000000000000024000000000000000640402800,00000080010044be1405bde129c2316fd7efef7b1f,0,12,30,3,0,5,43,45,-4.999,1.6369999999999998,0,,0.000311348,+,0.9562,-,0.9562,https://www.genome.jp/dbget-bin/www_bget?dr:D01634
1773,D00382, Torsemide (USP)," Sulfonamides, plain",C03CA04,CARDIOVASCULAR SYSTEM,c1(c(Nc2cc(ccc2)C)ccnc1)S(=O)(=O)NC(=O)NC(C)C,348.42,4.4655,92.4541,108.57,27,3,6,NGBFQHCMQULJNZ-UHFFFAOYSA-N,C16H20N4O3S,CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",-9.906,-9.3675,-9.3219,-7.1022,-6.6091,-5.8931,2.9418,3.0036,3.0799,3.6051,3.8719,D00382_C03CA04,600301008080000081000624008440008c040000208000c20101008000400400180040080000802000a40508003110410168000002006008000000220021040204000400400060804100000000880100008408e204203000503800001020000000300000108000080020000000000400000eb113004108010000000012000000,0000000000b061,010040100000000000000000000000000040000000009000000020000000000000000640403800,000000801104549e1593812123a21009d6b17bea1f,0,12,30,3,0,7,44,45,-8.838,-1.679,0,,0.182747498,-,0.7319,-,0.7319,https://www.genome.jp/dbget-bin/www_bget?dr:D00382
1774,D08619, Torasemide sodium," Sulfonamides, plain",C03CA04,CARDIOVASCULAR SYSTEM,c1(c(Nc2cc(ccc2)C)ccnc1)S(=O)(=O)NC(=O)NC(C)C,348.42,4.4655,92.4541,108.57,27,3,6,NGBFQHCMQULJNZ-UHFFFAOYSA-N,C16H20N4O3S,CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",-9.9218,-9.3468,-9.3176,-7.1535,-6.6658,-5.7896,2.9101,3.0051,3.0299,3.6368,3.8614,D08619_C03CA04,600301008080000081000624008440008c040000208000c20101008000400400180040080000802000a40508003110410168000002006008000000220021040204000400400060804100000000880100008408e204203000503800001020000000300000108000080020000000000400000eb113004108010000000012000000,0000000000b061,010040100000000000000000000000000040000000009000000020000000000000000640403800,000000801104549e1593812123a21009d6b17bea1f,0,12,30,3,0,7,44,45,-8.814,-1.6569999999999998,0,0.0,0.18280950199999998,-,0.7319,-,0.7319,https://www.genome.jp/dbget-bin/www_bget?dr:D08619
1775,D00313, Ethacrynic acid (USP), Aryloxyacetic acid derivatives,C03CC01,CARDIOVASCULAR SYSTEM,c1(c(c(c(cc1)OCC(=O)O)Cl)Cl)C(=O)C(=C)CC,303.138,3.6057,73.6743,63.6,15,1,4,AVOLMBLBETYQHX-UHFFFAOYSA-N,C13H12Cl2O4,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",-4.4626,-4.4002,-3.1007,-1.4206,-1.347,-1.3057,0.8844,1.0009,1.1699,2.1629,2.3518,D00313_C03CC01,000402000000008402080200000200000000800008001200008a1080002000001400440800000004000b020800050040010002000000000200001083000000800800080023002081020020000680800680d8004000001408400818000008080100040000010004960000800000100000000241000b0100200808000500800004,1400000c50b003,130002000000010000008800000000004005000000040000000000000000000000000240406800,000000000200020080084000c4140364a8cca2d71e,0,6,22,3,0,6,31,31,-4.843,1.507,0,0.0,0.00022386700000000002,-,0.5455,-,0.5455,https://www.genome.jp/dbget-bin/www_bget?dr:D00313
1776,D04079, Ethacrynate sodium (USP), Aryloxyacetic acid derivatives,C03CC01,CARDIOVASCULAR SYSTEM,c1(c(c(c(cc1)OCC(=O)O)Cl)Cl)C(=O)C(=C)CC,303.138,3.6057,73.6743,63.6,15,1,4,AVOLMBLBETYQHX-UHFFFAOYSA-N,C13H12Cl2O4,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",-4.65,-4.6209,-4.3723,-3.1167,-1.4343,-1.3773,0.8321,1.0513,1.3374,2.1404,2.3735,D04079_C03CC01,000402000000008402080200000200000000800008001200008a1080002000001400440800000004000b020800050040010002000000000200001083000000800800080023002081020020000680800680d8004000001408400818000008080100040000010004960000800000100000000241000b0100200808000500800004,1400000c50b003,130002000000010000008800000000004005000000040000000000000000000000000240406800,000000000200020080084000c4140364a8cca2d71e,0,6,22,3,0,6,31,31,-4.8469999999999995,1.5090000000000001,0,,0.00022375099999999998,-,0.5283,-,0.5283,https://www.genome.jp/dbget-bin/www_bget?dr:D04079
1777,D02386, Ticrynafen (USAN), Aryloxyacetic acid derivatives,C03CC02,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1Cl)C(=O)c1cccs1)OCC(=O)O)Cl,331.171,3.7493,77.2843,91.84,11,1,5,AGHANLSBXUWXTB-UHFFFAOYSA-N,C13H8Cl2O4S,OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,"InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)",-4.5561,-4.4313,-3.8385,-1.4204,-1.3526,-1.3416,0.8312,1.0463,1.3291,2.1322,2.3574,D02386_C03CC02,0004c3000000008412080200800300008400804008001200008a10a4002000021400401800000004800b0a48000c002004000200000010020a000083000801010800080023202081020000001680800280c800c00002040844184800000000000120000180000496000000000010000000024100090100200808000440800104,1400000c50b003,00000200000001000000880000000000400500000004c000000000000000000000000640402800,00000000080000008000c580c0140164a8cda2571e,0,11,16,2,0,5,28,29,-4.803999999999999,0.856,0,,0.00064323,+,0.6964,-,0.6964,https://www.genome.jp/dbget-bin/www_bget?dr:D02386
1778,D05093, Muzolimine (USAN/INN), Pyrazolone derivatives,C03CD01,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)[C@@H](N1C(=O)CC(=[NH]1)N)C)Cl)Cl,273.138,2.8469,76.2341,70.18,16,2,3,FJIHHWLUGJEYFA-LURJTMIESA-N,C11H12Cl2N3O,NC1=[NH]N(C(=O)C1)C(c1ccc(c(c1)Cl)Cl)C,"InChI=1S/C11H12Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6,15H,5,14H2,1H3/t6-/m0/s1",-4.9873,-4.8203,-4.8039,-3.8387,-3.5234,-3.4177,1.6876,1.8923,1.9126,1.9207,2.1649,D05093_C03CD01,800602000000042013044f01000100000000008000000440020050c80020000018004000000000400087001800000880011a00000004000200100002000000020400000000040090000000006688000a00980040080021085b090800800000080250000301000004000000000000000000160120000110000004c00c04808200,0400000000b001,030000000000000000008000000000000000000000040000000000000000000000000600402805,000000002004080010f44ceac16cd04b3ce168aa1f,0,6,22,2,0,2,29,30,-12.378,-6.019,1,0.0,3.39896e-05,+,0.5291,-,0.5291,https://www.genome.jp/dbget-bin/www_bget?dr:D05093
1779,D04111, Etozolin (USAN/INN), Other high-ceiling diuretics,C03CX01,CARDIOVASCULAR SYSTEM,N1(/C(=C/C(=O)OCC)/S[C@H](C1=O)[NH+]1CCCCC1)C,285.382,1.4981,83.5637,76.35,26,1,5,ZCKKHYXUQFTBIK-ASCRHOAZSA-O,C13H21N2O3S+,CCOC(=O)C=C1SC(C(=O)N1C)[NH+]1CCCCC1,"InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/p+1/b10-9-/t13-/m1/s1",-7.0920000000000005,-6.0513,-4.7677,-4.578,-4.5721,-3.8095,1.9195,2.2347,2.2787,2.4634,2.4912,D04111_C03CX01,1002098310400204012044400032000b500104100040000020000020002402841000100601000040040e0030008000006902000050200300010200001024020488000800000000a000200c0002e0084a00a00150021120468040018200040001048410202000000a000800000000010000063004004010a00004000100004000,0500000030e105,030000000000000000009000200000004002000000000000000000000000000000000440c06a04,000010000850012000ccb7de8f70b2e791637eff1d,0,0,38,3,0,4,40,41,-12.629000000000001,-4.601,1,,3.3165100000000005e-05,-,0.7036,-,0.7036,https://www.genome.jp/dbget-bin/www_bget?dr:D04111
1780,D00443, Spironolactone (JP17/USP/INN), Aldosterone antagonists,C03DA01,CARDIOVASCULAR SYSTEM,[C@@]12([C@@]3([C@@H](CC1)[C@H]1[C@H](CC3)[C@@]3(C(=CC(=O)CC3)C[C@H]1SC(=O)C)C)C)OC(=O)CC2,416.57300000000004,4.8523,115.23200000000001,85.74,37,0,5,LXMSZDCAJNLERA-ZHYRCANASA-N,C24H32O4S,CC(=O)SC1CC2=CC(=O)CCC2(C2C1C1CCC3(C1(CC2)C)CCC(=O)O3)C,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",-4.4339,-4.3598,-3.3042,-2.9897,-1.9757,-1.2087,0.7748,0.7751,1.1578,1.1672,1.1704,D00443_C03DA01,00000181000002242218000100020000000000800040400400000000000420001000200000830001800a0000200000400108100000204102a00000000000820408100800000408000000840008800304009102400000000001c010000000a0050204000081000000000000000200080004031100000101000001000140000500,14000000302105,1f000000000001000000a002000000000001000000000000000000000000000000006440407805,00000002000002810208858014892cc4895997d21c,0,0,61,4,0,2,61,65,-9.523,-0.174,7,1.0,0.751397133,-,3.2054,-,3.2054,https://www.genome.jp/dbget-bin/www_bget?dr:D00443
1781,D01943, Canrenoate potassium (USAN), Aldosterone antagonists,C03DA02,CARDIOVASCULAR SYSTEM,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](C=C2)[C@H]2[C@](CC1)([C@](CC2)(O)CCC(=O)O)C)C,358.471,3.8902,101.116,74.6,33,2,4,PBKZPPIHUVSDNM-WNHSNXHDSA-N,C22H30O4,OC(=O)CCC1(O)CCC2C1(C)CCC1C2C=CC2=CC(=O)CCC12C,"InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1",-4.5728,-4.4394,-3.3058,-2.3459,-1.9129,-1.8169,0.8539,1.6536,1.8014,2.1327,2.3627,D01943_C03DA02,00000000000002240000000100000000000000800042400000000000000020001200000000800001800a000000000000010000008020490220000000000000000c000800000400000000802008800204001000400000000008801000000000010204000080000000010000000000284000000000000000000000040100000500,1400004c00a003,1f4800000000010000008800000000000001000000000000000000000000000000004040437805,00000002000002000208008694892cc48d4cb7d61c,0,0,55,4,0,3,56,59,-4.365,0.8190000000000001,6,0.0,0.00036618699999999997,-,2.0444,-,2.0444,https://www.genome.jp/dbget-bin/www_bget?dr:D01943
1782,D03363, Canrenone (USAN), Aldosterone antagonists,C03DA03,CARDIOVASCULAR SYSTEM,[C@@]12([C@@]3([C@@H](CC1)[C@H]1[C@H](CC3)[C@@]3(C(=CC(=O)CC3)C=C1)C)C)OC(=O)CC2,340.45599999999996,4.3701,97.353,43.37,31,0,3,UJVLDDZCTMKXJK-WNHSNXHDSA-N,C22H28O3,O=C1CCC2(C(=C1)C=CC1C2CCC2(C1CCC12CCC(=O)O1)C)C,"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1",-4.3687,-3.3162,-2.9482,-1.2096,-0.6771,-0.6549,0.4636,0.4729,0.4849,0.4922,1.192,D03363_C03DA03,00000000000002240200000100020000000000800042400000000000000420001200000000800001800a000020000000010000008020490220000000000082000c100800000408000000802008800204009000400000000008801000000000010204000080000000010000000000084000030100000100000000040140000500,14000000302005,1f000000000001000000a000000000000001000000000000000000000000000000006440435805,00000002000002010208048014892cc4894197d21c,0,0,53,4,0,0,53,57,-9.401,-0.604,6,,0.488177627,-,2.4117,-,2.4117,https://www.genome.jp/dbget-bin/www_bget?dr:D03363
1783,D01115, Eplerenone (JP17/USAN/INN), Aldosterone antagonists,C03DA04,CARDIOVASCULAR SYSTEM,[C@]12([C@@]3([C@@H](CC1)[C@H]1[C@@]4([C@H](C3)O4)[C@@]3(C(=CC(=O)CC3)C[C@H]1C(=O)OC)C)C)OC(=O)CC2,414.491,3.1245,107.735,82.2,36,0,6,JUKPWJGBANNWMW-RZVCPIHASA-N,C24H30O6,COC(=O)C1CC2=CC(=O)CCC2(C23C1C1CCC4(C1(C)CC3O2)CCC(=O)O4)C,"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17+,19+,21+,22+,23+,24+/m1/s1",-4.4276,-4.4203,-3.3034,-2.9931,-2.9894,-1.2129,0.9889,0.9983,1.1308,1.1581,1.5372,D01115_C03DA04,00000000000002240200008100020000000000800040400000000000000420001000000000a00001801a00002000000001a0000200204112200100000000820008100800040408000000800228800204009000400002040008801000000000010204000080020000000000008000280000030180000900000000008140000500,14000000302005,1f800000000001000000b000000000000001000000000000000000000000000000006c40407805,0080240200000201020804901489ace4895997d21c,0,0,61,4,0,2,60,65,-10.419,-0.321,8,0.0,0.45496085299999994,+,8.0932,-,8.0932,https://www.genome.jp/dbget-bin/www_bget?dr:D01115
1784,D07447, Amiloride (INN), Other potassium-sparing agents,C03DB01,CARDIOVASCULAR SYSTEM,c1(C(=O)NC(=[NH2])N)c(nc(c(n1)Cl)N)N,230.635,1.4852,56.1078,158.96,17,5,7,KCCLDSHBHUHBHO-UHFFFAOYSA-N,C6H9ClN7O,NC(=[NH2])NC(=O)c1nc(Cl)c(nc1N)N,"InChI=1S/C6H9ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h10-11H2,(H,14,15)(H4,8,9,13)",-12.5319,-12.495999999999999,-11.1375,-7.1577,-6.2061,-6.191,3.8227,3.8282,5.1452,5.1732,5.7955,D07447_C03DB01,800202c08020008001184e001c1000010c8000900000004800050000000814001800200000480021008f0100000001800020200008000400040000020000040804011400000182800000104000800005005800400000290142000000000000100170400000c00002000011004000000e300c0010800880000000800002000010,0400000000b021,0000c0080000000000008000000000054042000000049000000000000000000000000640403800,000000012004100001f048484326d00174a1602a1f,0,6,16,2,0,3,24,24,-12.043,-4.784,0,1.0,5.089580000000001e-06,+,0.9451,-,0.9451,https://www.genome.jp/dbget-bin/www_bget?dr:D07447
1785,D00649, Amiloride hydrochloride (USP), Other potassium-sparing agents,C03DB01,CARDIOVASCULAR SYSTEM,c1(C(=O)NC(=[NH2])N)c(nc(c(n1)Cl)N)N,230.635,1.4852,56.1078,158.96,17,5,7,KCCLDSHBHUHBHO-UHFFFAOYSA-N,C6H9ClN7O,NC(=[NH2])NC(=O)c1nc(Cl)c(nc1N)N,"InChI=1S/C6H9ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h10-11H2,(H,14,15)(H4,8,9,13)",-12.5121,-12.503,-11.1317,-7.1865,-6.1987,-6.1915,3.8206,3.8251,5.1425,5.166,5.7862,D00649_C03DB01,800202c08020008001184e001c1000010c8000900000004800050000000814001800200000480021008f0100000001800020200008000400040000020000040804011400000182800000104000800005005800400000290142000000000000100170400000c00002000011004000000e300c0010800880000000800002000010,0400000000b021,0000c0080000000000008000000000054042000000049000000000000000000000000640403800,000000012004100001f048484326d00174a1602a1f,0,6,16,2,0,3,24,24,-12.046,-4.785,0,0.0,5.09563e-06,+,0.9451,-,0.9451,https://www.genome.jp/dbget-bin/www_bget?dr:D00649
1786,D00386, Triamterene (JP17/USP/INN), Other potassium-sparing agents,C03DB02,CARDIOVASCULAR SYSTEM,c12c(nc(c(n1)N)c1ccccc1)c(nc(n2)N)N,253.263,2.577,73.7772,129.62,18,3,7,FNYLWPVRPXGIIP-UHFFFAOYSA-N,C12H11N7,Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",-6.7696,-5.1294,-5.1265,-5.1108,-5.106,-5.1055,2.8046,2.8264,3.4647,3.4718,3.472,D00386_C03DB02,c0000000000800c000184e000c4001004c00000000820008000008800100040004004000402880214080002c000000000000604000004004002000020010020804000c9000008e000000100000080000009000400400000040080010000140100008080000a0000008c00004481000023006091800010800000880000a000000,0000000000b021,000000080000000000000000000000010000000000009000000000000000000000004600403800,000000012000102001d008001203800154a1612817,0,17,15,0,0,1,30,32,-8.647,-0.57,0,,0.058445372,+,1.2219,-,1.2219,https://www.genome.jp/dbget-bin/www_bget?dr:D00386
1787,D01213, Tolvaptan (JAN/USAN/INN), Vasopressin antagonists,C03XA01,CARDIOVASCULAR SYSTEM,C1CC[C@H](c2c(N1C(=O)c1c(cc(cc1)NC(=O)c1c(cccc1)C)C)ccc(c2)Cl)O,448.941,5.8211,131.276,69.64,30,2,5,GYHCTFXIZSNGJT-XMMPIXPASA-N,C26H25ClN2O3,Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C,"InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1",-3.6321,-3.6172,-3.0883,-2.9007,-2.8821,-2.6509,0.991,1.0919,1.245,1.4086,1.6923,D01213_C03XA01,000e0222a00004e003000600008148008010009010400800000000c0002004001c005400002001212087061800011240010200000800400800000002008004000a00080040040280008030000688000600d80140a4003808d008080800091000001000220000000540e000000000102400060190020110400018001502c00100,0400002c00b001,0328000000000000000080001a0000000001000000040000000000000000000000004640403804,00000400000000000004500ed9653043fce5fffb1f,0,18,40,2,0,5,57,60,-9.302999999999999,-0.322,1,0.0,0.9675865770000001,-,1.5935,-,1.5935,https://www.genome.jp/dbget-bin/www_bget?dr:D01213
1788,D07748, Conivaptan (INN), Vasopressin antagonists,C03XA02,CARDIOVASCULAR SYSTEM,C1c2c(c3c(N(C1)C(=O)c1ccc(cc1)NC(=O)c1c(cccc1)c1ccccc1)cccc3)[nH]c(n2)C,498.574,6.6453,153.542,78.09,31,2,5,IKENVDNFQMCRTR-UHFFFAOYSA-N,C32H26N4O2,Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",-3.6809,-3.6065,-3.0251,-2.912,-2.6408,-1.3986,0.775,0.8818,0.9783,1.393,1.6989,D07748_C03XA02,00020020200804e0010c660304c10104c050008010020000800208c1011084101d004410206001310086221800081244000240400020000c0020001a0082260406000c80400402a1018030000288000300c8004004812920500a0910800140004c300802002000004880000060000024100e0191000111000118000002e2000c,0400000000b001,0300000000000000000080001a0000000001000000009400000000000000000000004640402800,000004002000002001d4148e1869b003d4a16deb1f,0,29,38,2,0,6,64,69,-8.355,-0.5,0,-2.0,0.995943666,+,2.9916,-,2.9916,https://www.genome.jp/dbget-bin/www_bget?dr:D07748
1789,D01236, Conivaptan hydrochloride (JAN/USAN), Vasopressin antagonists,C03XA02,CARDIOVASCULAR SYSTEM,C1c2c(c3c(N(C1)C(=O)c1ccc(cc1)NC(=O)c1c(cccc1)c1ccccc1)cccc3)[nH]c(n2)C,498.574,6.6453,153.542,78.09,31,2,5,IKENVDNFQMCRTR-UHFFFAOYSA-N,C32H26N4O2,Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",-3.6157,-3.6083,-3.0579,-2.897,-2.605,-1.3859,0.7982,0.9092,0.9457,1.3972,1.6861,D01236_C03XA02,00020020200804e0010c660304c10104c050008010020000800208c1011084101d004410206001310086221800081244000240400020000c0020001a0082260406000c80400402a1018030000288000300c8004004812920500a0910800140004c300802002000004880000060000024100e0191000111000118000002e2000c,0400000000b001,0300000000000000000080001a0000000001000000009400000000000000000000004640402800,000004002000002001d4148e1869b003d4a16deb1f,0,29,38,2,0,6,64,69,-8.357999999999999,-0.496,0,,0.9960242509999999,+,2.9916,-,2.9916,https://www.genome.jp/dbget-bin/www_bget?dr:D01236
1790,D08092, Isoxsuprine (INN), 2-amino-1-phenylethanol derivatives,C04AA01,CARDIOVASCULAR SYSTEM,c1([C@H]([C@@H]([NH2+][C@@H](COc2ccccc2)C)C)O)ccc(cc1)O,302.388,1.845,88.7002,66.3,27,3,3,BMUKKTUHUDJSNZ-GLJUWKHASA-O,C18H24NO3+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)COc1ccccc1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/p+1/t13-,14+,18+/m1/s1",-5.7085,-5.6616,-4.3599,-4.3006,-2.8964,-2.1976,1.5723,1.5948,1.6379,1.7752,1.9625,D08092_C04AA01,0006000000000040020006000002000401000000000052000000008000000000100040810000001320002418000100000102020000000000000000020000001008200800011028010000000002008000008000400000300840080800800900000000000000000002004000028010000002060100080110200800000000200004,0100002c52f001,012842010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000840805805600444d3fd1f,0,12,35,0,0,7,46,47,-11.975999999999999,-3.937,3,1.0,0.001927989,-,0.4398,-,0.4398,https://www.genome.jp/dbget-bin/www_bget?dr:D08092
1791,D01748, Isoxsuprine hydrochloride (JP17/USP), 2-amino-1-phenylethanol derivatives,C04AA01,CARDIOVASCULAR SYSTEM,c1([C@H]([C@@H]([NH2+][C@@H](COc2ccccc2)C)C)O)ccc(cc1)O,302.388,1.845,88.7002,66.3,27,3,3,BMUKKTUHUDJSNZ-GLJUWKHASA-O,C18H24NO3+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)COc1ccccc1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/p+1/t13-,14+,18+/m1/s1",-5.7136,-5.6603,-4.3605,-4.3267,-2.9006,-2.2133,1.5704,1.5955,1.6234,1.7776,1.9589,D01748_C04AA01,0006000000000040020006000002000401000000000052000000008000000000100040810000001320002418000100000102020000000000000000020000001008200800011028010000000002008000008000400000300840080800800900000000000000000002004000028010000002060100080110200800000000200004,0100002c52f001,012842010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000840805805600444d3fd1f,0,12,35,0,0,7,46,47,-11.975,-3.937,3,,0.0019282370000000002,-,0.4398,-,0.4398,https://www.genome.jp/dbget-bin/www_bget?dr:D01748
1792,D08093, Isoxsuprine lactate, 2-amino-1-phenylethanol derivatives,C04AA01,CARDIOVASCULAR SYSTEM,c1([C@H]([C@@H]([NH2+][C@@H](COc2ccccc2)C)C)O)ccc(cc1)O,302.388,1.845,88.7002,66.3,27,3,3,BMUKKTUHUDJSNZ-GLJUWKHASA-O,C18H24NO3+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)COc1ccccc1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/p+1/t13-,14+,18+/m1/s1",-5.6985,-5.6749,-4.3226,-4.2685,-2.889,-2.2064,1.5725,1.5789,1.6663,1.7781,1.9542,D08093_C04AA01,0006000000000040020006000002000401000000000052000000008000000000100040810000001320002418000100000102020000000000000000020000001008200800011028010000000002008000008000400000300840080800800900000000000000000002004000028010000002060100080110200800000000200004,0100002c52f001,012842010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000840805805600444d3fd1f,0,12,35,0,0,7,46,47,-11.975,-3.938,3,1.0,0.001929285,-,0.4398,-,0.4398,https://www.genome.jp/dbget-bin/www_bget?dr:D08093
1793,D07551, Buphenine (INN), 2-amino-1-phenylethanol derivatives,C04AA02,CARDIOVASCULAR SYSTEM,c1(ccccc1)CC[C@@H]([NH2+][C@@H]([C@@H](c1ccc(cc1)O)O)C)C,300.415,2.3988,91.9812,57.07,28,3,2,PTGXAUBQBSGPKF-KHYOSLBOSA-O,C19H26NO2+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)CCc1ccccc1,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/p+1/t14-,15+,19-/m0/s1",-5.7691,-5.6773,-4.3144,-4.2594,-2.905,-2.1437,1.5639,1.5673,1.6121,1.8229,1.9474,D07551_C04AA02,00260000000000400a0006000000000400000010000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000c000000080000002000020000000080004000003008c0080800800900000000002000000002004000008000000000060100020110200802000100000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,00000000000021000000084280482d400444d5fc1f,0,12,37,0,0,7,48,49,-12.237,-3.6489999999999996,3,1.0,0.00027254,-,0.7931,-,0.7931,https://www.genome.jp/dbget-bin/www_bget?dr:D07551
1794,D07551, Buphenine (INN)," Sympathomimetics, labour repressants",G02CA02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccccc1)CC[C@@H]([NH2+][C@@H]([C@@H](c1ccc(cc1)O)O)C)C,300.415,2.3988,91.9812,57.07,28,3,2,PTGXAUBQBSGPKF-KHYOSLBOSA-O,C19H26NO2+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)CCc1ccccc1,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/p+1/t14-,15+,19-/m0/s1",-5.7013,-5.6961,-4.3039,-4.1028,-2.9226,-2.0718,1.5512,1.577,1.6002,1.8166,1.9524,D07551_G02CA02,00260000000000400a0006000000000400000010000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000c000000080000002000020000000080004000003008c0080800800900000000002000000002004000008000000000060100020110200802000100000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,00000000000021000000084280482d400444d5fc1f,0,12,37,0,0,7,48,49,-12.237,-3.6489999999999996,3,1.0,0.00027254,-,0.7931,-,0.7931,https://www.genome.jp/dbget-bin/www_bget?dr:D07551
1795,D01543, Nylidrin hydrochloride (JAN), 2-amino-1-phenylethanol derivatives,C04AA02,CARDIOVASCULAR SYSTEM,c1(ccccc1)CC[C@@H]([NH2+][C@@H]([C@@H](c1ccc(cc1)O)O)C)C,300.415,2.3988,91.9812,57.07,28,3,2,PTGXAUBQBSGPKF-KHYOSLBOSA-O,C19H26NO2+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)CCc1ccccc1,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/p+1/t14-,15+,19-/m0/s1",-5.7371,-5.7182,-4.3144,-4.2751,-2.9069,-2.0655,1.5527,1.5751,1.5918,1.8159999999999998,1.9339,D01543_C04AA02,00260000000000400a0006000000000400000010000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000c000000080000002000020000000080004000003008c0080800800900000000002000000002004000008000000000060100020110200802000100000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,00000000000021000000084280482d400444d5fc1f,0,12,37,0,0,7,48,49,-12.231,-3.6489999999999996,3,,0.000273107,-,0.7931,-,0.7931,https://www.genome.jp/dbget-bin/www_bget?dr:D01543
1796,D01543, Nylidrin hydrochloride (JAN)," Sympathomimetics, labour repressants",G02CA02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccccc1)CC[C@@H]([NH2+][C@@H]([C@@H](c1ccc(cc1)O)O)C)C,300.415,2.3988,91.9812,57.07,28,3,2,PTGXAUBQBSGPKF-KHYOSLBOSA-O,C19H26NO2+,CC([NH2+]C(C(c1ccc(cc1)O)O)C)CCc1ccccc1,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/p+1/t14-,15+,19-/m0/s1",-5.7335,-5.7118,-4.3653,-4.3058,-2.8951,-2.1629,1.5807,1.5808,1.5982,1.7976,1.9709,D01543_G02CA02,00260000000000400a0006000000000400000010000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000c000000080000002000020000000080004000003008c0080800800900000000002000000002004000008000000000060100020110200802000100000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,00000000000021000000084280482d400444d5fc1f,0,12,37,0,0,7,48,49,-12.231,-3.6489999999999996,3,,0.000273107,-,0.7931,-,0.7931,https://www.genome.jp/dbget-bin/www_bget?dr:D01543
1797,D07490, Bamethan (INN), 2-amino-1-phenylethanol derivatives,C04AA31,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)O)[C@H](C[NH2+]CCCC)O,210.293,0.7891,62.6872,57.07,22,3,2,RDUHXGIIUDVSHR-LBPRGKRZSA-O,C12H20NO2+,CCCC[NH2+]CC(c1ccc(cc1)O)O,"InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1",-5.6989,-5.6766,-4.4141,-4.3443,-2.8907,-2.2158,1.5619,1.564,1.5937,1.7845,1.9858,D07490_C04AA31,00260000000000400200060000000004000000100000520000000080000000001000408100000002200020180000000001020200000000000000000200000010080008000000080000000000020000000080004000002008c0080800800100000000002000000002004000008000000000060100000110200800000000000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a4688402fc00d46c4f51f,0,6,29,0,0,6,35,35,-12.237,-3.9210000000000003,1,0.0,0.000120246,-,0.2089,-,0.2089,https://www.genome.jp/dbget-bin/www_bget?dr:D07490
1798,D01673, Bamethan sulfate (JP17/USAN), 2-amino-1-phenylethanol derivatives,C04AA31,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)O)[C@H](C[NH2+]CCCC)O,210.293,0.7891,62.6872,57.07,22,3,2,RDUHXGIIUDVSHR-LBPRGKRZSA-O,C12H20NO2+,CCCC[NH2+]CC(c1ccc(cc1)O)O,"InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1",-5.7054,-5.684,-4.3885,-4.3374,-2.8961,-2.1959999999999997,1.5684,1.5686,1.5864,1.7754,1.9772,D01673_C04AA31,00260000000000400200060000000004000000100000520000000080000000001000408100000002200020180000000001020200000000000000000200000010080008000000080000000000020000000080004000002008c0080800800100000000002000000002004000008000000000060100000110200800000000000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000002a4688402fc00d46c4f51f,0,6,29,0,0,6,35,35,-12.244000000000002,-3.923,1,,0.000120284,-,0.1929,-,0.1929,https://www.genome.jp/dbget-bin/www_bget?dr:D01673
1799,D08362, Phentolamine (INN), Imidazoline derivatives,C04AB01,CARDIOVASCULAR SYSTEM,N(c1cc(ccc1)O)(c1ccc(cc1)C)CC1=[NH]CCN1,282.36,2.819,94.8734,59.35,24,3,2,NJQPKHZDINLQQM-UHFFFAOYSA-N,C17H20N3O,Cc1ccc(cc1)N(c1cccc(c1)O)CC1=[NH]CCN1,"InChI=1S/C17H20N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,18-19,21H,9-10,12H2,1H3",-5.23,-5.207000000000001,-5.083,-5.0588,-3.8221,-3.7942,1.9081,1.9348,2.2451,2.3253,2.7478,D08362_C04AB01,000200000000800000800600108000088000000000000042000000808000020002004002020000a00000002800003040002402000200000800000002a0080400080010004000000008a00000022000000080004014002210430a0000002000000000020010000012400000000000000000068104204122200808008002400000,0000000402b021,010040010100000000008000000000000000000000010000000000000000000000000600402800,0000000020042000007016868940e1c35567cdbd1f,0,12,30,1,0,4,41,43,-11.463,-4.922,0,0.0,0.0022944320000000003,+,0.5138,-,0.5138,https://www.genome.jp/dbget-bin/www_bget?dr:D08362
1800,D08362, Phentolamine (INN), Antidotes,V03AB36,VARIOUS,N(c1cc(ccc1)O)(c1ccc(cc1)C)CC1=[NH]CCN1,282.36,2.819,94.8734,59.35,24,3,2,NJQPKHZDINLQQM-UHFFFAOYSA-N,C17H20N3O,Cc1ccc(cc1)N(c1cccc(c1)O)CC1=[NH]CCN1,"InChI=1S/C17H20N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,18-19,21H,9-10,12H2,1H3",-5.2276,-5.2182,-5.0664,-5.0524,-3.8142,-3.8023,1.9094,1.9409,2.2388,2.3302,2.7559,D08362_V03AB36,000200000000800000800600108000088000000000000042000000808000020002004002020000a00000002800003040002402000200000800000002a0080400080010004000000008a00000022000000080004014002210430a0000002000000000020010000012400000000000000000068104204122200808008002400000,0000000402b021,010040010100000000008000000000000000000000010000000000000000000000000600402800,0000000020042000007016868940e1c35567cdbd1f,0,12,30,1,0,4,41,43,-11.463,-4.922,0,0.0,0.0022944320000000003,+,0.5138,-,0.5138,https://www.genome.jp/dbget-bin/www_bget?dr:D08362
1801,D00509, Phentolamine mesylate (USP), Imidazoline derivatives,C04AB01,CARDIOVASCULAR SYSTEM,N(c1cc(ccc1)O)(c1ccc(cc1)C)CC1=[NH]CCN1,282.36,2.819,94.8734,59.35,24,3,2,NJQPKHZDINLQQM-UHFFFAOYSA-N,C17H20N3O,Cc1ccc(cc1)N(c1cccc(c1)O)CC1=[NH]CCN1,"InChI=1S/C17H20N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,18-19,21H,9-10,12H2,1H3",-5.2293,-5.2135,-5.0711,-5.0555,-3.8154,-3.7984,1.91,1.9285,2.2415,2.2662,2.7502,D00509_C04AB01,000200000000800000800600108000088000000000000042000000808000020002004002020000a00000002800003040002402000200000800000002a0080400080010004000000008a00000022000000080004014002210430a0000002000000000020010000012400000000000000000068104204122200808008002400000,0000000402b021,010040010100000000008000000000000000000000010000000000000000000000000600402800,0000000020042000007016868940e1c35567cdbd1f,0,12,30,1,0,4,41,43,-11.462,-4.919,0,,0.00229417,+,0.5138,-,0.5138,https://www.genome.jp/dbget-bin/www_bget?dr:D00509
1802,D00509, Phentolamine mesylate (USP), Antidotes,V03AB36,VARIOUS,N(c1cc(ccc1)O)(c1ccc(cc1)C)CC1=[NH]CCN1,282.36,2.819,94.8734,59.35,24,3,2,NJQPKHZDINLQQM-UHFFFAOYSA-N,C17H20N3O,Cc1ccc(cc1)N(c1cccc(c1)O)CC1=[NH]CCN1,"InChI=1S/C17H20N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,18-19,21H,9-10,12H2,1H3",-5.2402,-5.193,-5.0736,-5.0433,-3.8045,-3.8011,1.9114,1.9262,2.24,2.2423,2.7523,D00509_V03AB36,000200000000800000800600108000088000000000000042000000808000020002004002020000a00000002800003040002402000200000800000002a0080400080010004000000008a00000022000000080004014002210430a0000002000000000020010000012400000000000000000068104204122200808008002400000,0000000402b021,010040010100000000008000000000000000000000010000000000000000000000000600402800,0000000020042000007016868940e1c35567cdbd1f,0,12,30,1,0,4,41,43,-11.462,-4.919,0,,0.00229417,+,0.5138,-,0.5138,https://www.genome.jp/dbget-bin/www_bget?dr:D00509
1803,D08614, Tolazoline (INN), Imidazoline derivatives,C04AB02,CARDIOVASCULAR SYSTEM,c1(CC2=[NH]CCN2)ccccc1,161.224,1.2094,58.4054,35.88,15,2,1,ADXSSOSJYQEHPJ-UHFFFAOYSA-N,C10H13N2,c1ccc(cc1)CC1=[NH]CCN1,"InChI=1S/C10H13N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,11-12H,6-8H2",-5.2316,-5.2303,-5.071000000000001,-5.0562,-3.8115,-3.8011,1.8583,1.8593,1.9153,1.9197,2.242,D08614_C04AB02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004000002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007006868840e0810523442d17,0,6,19,1,0,2,25,26,-13.270999999999999,-5.122999999999999,0,1.0,0.000196878,+,0.4154,-,0.4154,https://www.genome.jp/dbget-bin/www_bget?dr:D08614
1804,D08614, Tolazoline (INN), Other topical products for joint and muscular pain,M02AX02,MUSCULO-SKELETAL SYSTEM,c1(CC2=[NH]CCN2)ccccc1,161.224,1.2094,58.4054,35.88,15,2,1,ADXSSOSJYQEHPJ-UHFFFAOYSA-N,C10H13N2,c1ccc(cc1)CC1=[NH]CCN1,"InChI=1S/C10H13N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,11-12H,6-8H2",-5.2332,-5.2288,-5.0715,-5.0556,-3.8112,-3.8013,1.8584,1.8593,1.915,1.9199,2.242,D08614_M02AX02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004000002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007006868840e0810523442d17,0,6,19,1,0,2,25,26,-13.270999999999999,-5.122999999999999,0,1.0,0.000196878,+,0.4154,-,0.4154,https://www.genome.jp/dbget-bin/www_bget?dr:D08614
1805,D00997, Tolazoline hydrochloride (JAN/USP), Imidazoline derivatives,C04AB02,CARDIOVASCULAR SYSTEM,c1(CC2=[NH]CCN2)ccccc1,161.224,1.2094,58.4054,35.88,15,2,1,ADXSSOSJYQEHPJ-UHFFFAOYSA-N,C10H13N2,c1ccc(cc1)CC1=[NH]CCN1,"InChI=1S/C10H13N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,11-12H,6-8H2",-5.2314,-5.2303,-5.071000000000001,-5.0561,-3.8113,-3.8012,1.8583,1.8593,1.9154,1.9196,2.2421,D00997_C04AB02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004000002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007006868840e0810523442d17,0,6,19,1,0,2,25,26,-13.267999999999999,-5.121,0,-2.0,0.000196813,+,0.4154,-,0.4154,https://www.genome.jp/dbget-bin/www_bget?dr:D00997
1806,D00997, Tolazoline hydrochloride (JAN/USP), Other topical products for joint and muscular pain,M02AX02,MUSCULO-SKELETAL SYSTEM,c1(CC2=[NH]CCN2)ccccc1,161.224,1.2094,58.4054,35.88,15,2,1,ADXSSOSJYQEHPJ-UHFFFAOYSA-N,C10H13N2,c1ccc(cc1)CC1=[NH]CCN1,"InChI=1S/C10H13N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,11-12H,6-8H2",-5.2333,-5.2277,-5.0711,-5.0573,-3.8101,-3.8016,1.8585,1.8589,1.9149,1.9202,2.242,D00997_M02AX02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004000002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007006868840e0810523442d17,0,6,19,1,0,2,25,26,-13.267999999999999,-5.121,0,-2.0,0.000196813,+,0.4154,-,0.4154,https://www.genome.jp/dbget-bin/www_bget?dr:D00997
1807,D00049, Niacin (USP), Nicotinic acid and derivatives,C04AC01,CARDIOVASCULAR SYSTEM,c1(cccnc1)C(=O)O,123.109,0.7798,31.1963,50.19,7,1,3,PVNIIMVLHYAWGP-UHFFFAOYSA-N,C6H5NO2,OC(=O)c1cccnc1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",-4.3962,-4.2717,-1.5155,-1.331,-1.0572,-1.0536,0.5547,0.5938,1.2064,1.2327,2.3111,D00049_C04AC01,00000000000000c00000020000004000000000000000000800000000000004000c00400000008020408a0408000000c0000000000000200004000002000000000c000c00000000000000000000880000000000400400000040000000000100000000000000000000004000000010040010020000004100000008800002000000,0400000c00b003,000000000000000000008800000000004001000000009000000000000000000000000640402800,00000000000000000100000003000005000500521f,0,6,7,1,0,1,14,14,-4.75,3.8539999999999996,0,1.0,2.36968e-08,-,0.2267,-,0.2267,https://www.genome.jp/dbget-bin/www_bget?dr:D00049
1808,D00049, Niacin (USP), Nicotinic acid and derivatives,C10AD02,CARDIOVASCULAR SYSTEM,c1(cccnc1)C(=O)O,123.109,0.7798,31.1963,50.19,7,1,3,PVNIIMVLHYAWGP-UHFFFAOYSA-N,C6H5NO2,OC(=O)c1cccnc1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",-4.3962,-4.2717,-1.5155,-1.331,-1.0572,-1.0536,0.5547,0.5938,1.2064,1.2327,2.3111,D00049_C10AD02,00000000000000c00000020000004000000000000000000800000000000004000c00400000008020408a0408000000c0000000000000200004000002000000000c000c00000000000000000000880000000000400400000040000000000100000000000000000000004000000010040010020000004100000008800002000000,0400000c00b003,000000000000000000008800000000004001000000009000000000000000000000000640402800,00000000000000000100000003000005000500521f,0,6,7,1,0,1,14,14,-4.75,3.8539999999999996,0,1.0,2.36968e-08,-,0.2267,-,0.2267,https://www.genome.jp/dbget-bin/www_bget?dr:D00049
1809,D01419, Benzyl nicotinate (JAN), Nicotinic acid and derivatives,C04AC01,CARDIOVASCULAR SYSTEM,n1cccc(c1)C(=O)OCc1ccccc1,213.232,2.4386,60.0035,39.19,14,0,3,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,C13H11NO2,O=C(c1cccnc1)OCc1ccccc1,"InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2",-4.2691,-2.8996,-1.8322,-1.5090000000000001,-1.265,-1.0569,0.555,0.5907,0.8103,1.213,1.5341,D01419_C04AC01,00000000000000c00000020000024004000000000000080800200080000404000c00400000008020608a0408000000c0000000000000210004020002000002000c000c02000000000000010000880000008000400400000040080000000100100000000000000000004000001010040010020100004100000008800002000000,04000000303005,000000000000000000009000000000004001000000009000000000000000000000000640402000,00000000000000000100000003100025000101571f,0,12,15,1,0,4,27,28,-10.073,-0.565,0,,0.167116567,+,0.2411,-,0.2411,https://www.genome.jp/dbget-bin/www_bget?dr:D01419
1810,D01419, Benzyl nicotinate (JAN), Nicotinic acid and derivatives,C10AD02,CARDIOVASCULAR SYSTEM,n1cccc(c1)C(=O)OCc1ccccc1,213.232,2.4386,60.0035,39.19,14,0,3,KVYGGMBOZFWZBQ-UHFFFAOYSA-N,C13H11NO2,O=C(c1cccnc1)OCc1ccccc1,"InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2",-4.2639,-2.9018,-1.8288,-1.4957,-1.2717,-1.0574,0.555,0.5797,0.9449,1.0607,1.5358,D01419_C10AD02,00000000000000c00000020000024004000000000000080800200080000404000c00400000008020608a0408000000c0000000000000210004020002000002000c000c02000000000000010000880000008000400400000040080000000100100000000000000000004000001010040010020100004100000008800002000000,04000000303005,000000000000000000009000000000004001000000009000000000000000000000000640402000,00000000000000000100000003100025000101571f,0,12,15,1,0,4,27,28,-10.073,-0.565,0,,0.167116567,+,0.2411,-,0.2411,https://www.genome.jp/dbget-bin/www_bget?dr:D01419
1811,D04991, Methyl nicotinate (USAN), Nicotinic acid and derivatives,C04AC01,CARDIOVASCULAR SYSTEM,c1cncc(c1)C(=O)OC,137.136,0.8682,35.5165,39.19,10,0,3,YNBADRVTZLEFNH-UHFFFAOYSA-N,C7H7NO2,COC(=O)c1cccnc1,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",-4.2732,-2.8914,-1.5090000000000001,-1.2158,-1.0568,-1.0518,0.5549,0.5904,0.8105,1.0869,1.2098,D04991_C04AC01,00000000000000c00000020000024000000000000000000800200000000004000c00400000008020408a0408000000c0000000000000210004000002000002000c000c02000000000000010000880000008000400400000040000000000100100000000000000000004000000010040010020000004100000008800002000000,04000000303005,000000000000000000009000000000004001000000009000000000000000000000000640402000,00000000000000000100001003000025000100d21f,0,6,10,1,0,2,17,17,-10.544,-0.532,0,0.0,0.006395638,-,0.2238,-,0.2238,https://www.genome.jp/dbget-bin/www_bget?dr:D04991
1812,D04991, Methyl nicotinate (USAN), Nicotinic acid and derivatives,C10AD02,CARDIOVASCULAR SYSTEM,c1cncc(c1)C(=O)OC,137.136,0.8682,35.5165,39.19,10,0,3,YNBADRVTZLEFNH-UHFFFAOYSA-N,C7H7NO2,COC(=O)c1cccnc1,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",-4.2607,-2.8952,-1.4966,-1.2135,-1.0574,-1.0524,0.555,0.5803,0.9449,1.0599,1.0929,D04991_C10AD02,00000000000000c00000020000024000000000000000000800200000000004000c00400000008020408a0408000000c0000000000000210004000002000002000c000c02000000000000010000880000008000400400000040000000000100100000000000000000004000000010040010020000004100000008800002000000,04000000303005,000000000000000000009000000000004001000000009000000000000000000000000640402000,00000000000000000100001003000025000100d21f,0,6,10,1,0,2,17,17,-10.544,-0.532,0,0.0,0.006395638,-,0.2238,-,0.2238,https://www.genome.jp/dbget-bin/www_bget?dr:D04991
1813,D05158, Nicotinyl alcohol (USAN), Nicotinic acid and derivatives,C04AC02,CARDIOVASCULAR SYSTEM,c1c(cncc1)CO,109.126,0.5739,30.3648,33.12,9,1,2,MVQVNTPHUGQQHK-UHFFFAOYSA-N,C6H7NO,OCc1cccnc1,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",-2.9161,-1.0579,-1.0564,-0.9987,-0.8322,-0.6514,0.4864,0.5288,0.5553,0.5841,1.2493,D05158_C04AC02,00000000000000c000000200000040000000000000000008000000000000040004004000000080204080000800000040000000000000200004000002000000000c000c00000000000000000000080000000000400400000040000000000100000000000000000000004000000010040010020000004100000008000002000000,0000001c00b001,001800000000000000000000000000000000000000009000000000000000000000000600402000,00000000000000000100020003100001000500151f,0,6,9,0,0,1,15,15,-10.345999999999998,0.084,0,0.0,0.00364131,-,0.3362,-,0.3362,https://www.genome.jp/dbget-bin/www_bget?dr:D05158
1814,D05158, Nicotinyl alcohol (USAN), Nicotinic acid and derivatives,C10AD05,CARDIOVASCULAR SYSTEM,c1c(cncc1)CO,109.126,0.5739,30.3648,33.12,9,1,2,MVQVNTPHUGQQHK-UHFFFAOYSA-N,C6H7NO,OCc1cccnc1,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",-2.9161,-1.0579,-1.0564,-0.9987,-0.8322,-0.6514,0.4864,0.5288,0.5553,0.5841,1.2493,D05158_C10AD05,00000000000000c000000200000040000000000000000008000000000000040004004000000080204080000800000040000000000000200004000002000000000c000c00000000000000000000080000000000400400000040000000000100000000000000000000004000000010040010020000004100000008000002000000,0000001c00b001,001800000000000000000000000000000000000000009000000000000000000000000600402000,00000000000000000100020003100001000500151f,0,6,9,0,0,1,15,15,-10.345999999999998,0.084,0,0.0,0.00364131,-,0.3362,-,0.3362,https://www.genome.jp/dbget-bin/www_bget?dr:D05158
1815,D01813, Inositol niacinate (USAN), Nicotinic acid and derivatives,C04AC03,CARDIOVASCULAR SYSTEM,[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1,810.721,3.7236,200.415,235.14,48,0,18,MFZCIDXOLLEMOO-GYSGTQPESA-N,C42H30N6O12,O=C(c1cccnc1)OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(C(C1OC(=O)c1cccnc1)OC(=O)c1cccnc1)OC(=O)c1cccnc1,"InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-",-4.34,-4.2728,-4.271,-4.26,-4.2596,-4.1123,1.537,1.5373,1.5564,1.7843,1.8754,D01813_C04AC03,00000002000000c00a00020000024004200000000000080800200000000404001c00400800008025408a0418200000c0010000000020611304000002000082000c100c020000000000008102008800000080004004000000400000010021001040000000000000000040000050102c0010030100084500800008800102000000,04000000303005,000000000000000000009000000000004001000000009000000000000000000000000640402004,000000000000000081000001030080658069a3521f,0,36,54,6,0,18,90,96,-10.749,-0.7859999999999999,0,,0.989508629,+,9.0604,-,9.0604,https://www.genome.jp/dbget-bin/www_bget?dr:D01813
1816,D07173, Ciclonicate (INN), Nicotinic acid and derivatives,C04AC07,CARDIOVASCULAR SYSTEM,c1ncc(cc1)C(=O)O[C@H]1CC(C[C@@H](C1)C)(C)C,247.333,3.4532,71.5985,39.19,24,0,3,GQSGZTBDVNUIQS-DGCLKSJQSA-N,C15H21NO2,CC1CC(OC(=O)c2cccnc2)CC(C1)(C)C,"InChI=1S/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13-/m1/s1",-4.2794,-2.8956,-1.4963,-1.2035,-1.0587,-1.0532,0.5553,0.5805,0.9509,1.0597,1.0671,D07173_C04AC07,00000002000002c00200020000024004000000000000080800200000000404001c00400000008021408a0408200000c0010000000020610204000002000082000c100c020000000000008100008800000080004004000000400000000001001000000000000000000040000010100c0010030100004100000008800102000000,04000000303005,0f0000000000000000009000000000004001000000009000000000000000000000000640402004,000000000000000003020000038804e5085191d21f,0,6,33,1,0,3,39,40,-10.494000000000002,-0.462,2,0.0,0.260574937,+,0.8754,-,0.8754,https://www.genome.jp/dbget-bin/www_bget?dr:D07173
1817,D07174, Pentifylline (INN), Purine derivatives,C04AD01,CARDIOVASCULAR SYSTEM,c12c(n(c(=O)n(c1=O)CCCCCC)C)ncn2C,264.323,1.014,76.074,61.82,23,0,6,MRWQRJMESRRJJB-UHFFFAOYSA-N,C13H20N4O2,CCCCCCn1c(=O)c2n(C)cnc2n(c1=O)C,"InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3",-4.8866,-4.5831,-3.1058,-2.9887,-2.9772,-1.7337,1.2574,1.3968,1.4928,1.4984,1.5024,D07174_C04AD01,80020000000008c000004600004000000000040000000060000020c00000040014003000410080215000001000010080010000000020400000800800000080000c000c00800028000000c00000900000000001400c80000ca000008000014006000000000080000040c00000400008000007010200000800001880012a000000,00000000003001,030000000000000000008000200000004042040000009900000000000000000000004640403000,000000003000000001d414d91b6bbfc381f13cef1f,0,10,28,2,0,5,39,40,-9.231,-0.066,0,1.0,0.037601266,-,0.9773,-,0.9773,https://www.genome.jp/dbget-bin/www_bget?dr:D07174
1818,D06334, Xanthinol niacinate (USAN), Purine derivatives,C04AD02,CARDIOVASCULAR SYSTEM,c1(=O)n(c(=O)c2c(n1C)ncn2C[C@H](C[N@H+](CCO)C)O)C,312.345,-3.6984,82.5513,106.72,27,3,8,DSFGXPJYDCSWTA-VIFPVBQESA-O,C13H22N5O4+,OCC[NH+](CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O)C,"InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3/p+1/t9-/m0/s1",-6.0131,-4.742,-4.6159,-4.596,-4.5535,-4.5521,1.5902,1.6023,1.8151,2.8594,3.1425,D06334_C04AD02,80020000000008c010004600004000003000040000000060000020c00000040014003004410080234000001000010080000200000000400000800800000090100c800c00800028000000c40102900000000001400c80200ca001008000016006000000000080000040c10000c00008000007010200001880001c80002a000000,0100003c00f001,003840020400000000008000200000004042040000009900000000000000000000004640c03204,000000003000210001d436df9b7bbdc38dfffeff1f,0,10,33,2,0,6,44,45,-11.677999999999999,-4.462,2,-1.0,4.00121e-05,-,1.1355,-,1.1355,https://www.genome.jp/dbget-bin/www_bget?dr:D06334
1819,D00501, Pentoxifylline (JAN/USP/INN), Purine derivatives,C04AD03,CARDIOVASCULAR SYSTEM,c12c(n(c(=O)n(c1=O)CCCCC(=O)C)C)ncn2C,278.307,0.193,76.274,78.89,22,0,7,BYPFEZZEUUWMEJ-UHFFFAOYSA-N,C13H18N4O3,CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",-4.7852,-4.5861,-3.0904,-3.0116,-2.9854,-2.9631,1.2676,1.4092,1.4847,1.4938,1.5144,D00501_C04AD03,80020000000008c000004600004000000000040000000060000020c00000040014003000410080215002001000010080010000000020400000800800000080000c000c00800028000000c00010900004001001400c80000ca000008000014006000000000080000040c00000400008000007010200000800001880012a000100,14000000003001,030000000000010000008000200000004042040000009900000000000000000000004640403801,000000003000000001d414d91b6bbd4389f1beef1f,0,10,26,3,0,5,38,39,-9.277999999999999,-0.10400000000000001,0,,0.012616500000000001,+,1.3025,-,1.3025,https://www.genome.jp/dbget-bin/www_bget?dr:D00501
1820,D01290, Nicergoline (JP17/USAN/INN), Ergot alkaloids,C04AE02,CARDIOVASCULAR SYSTEM,c1cc2c3c(c1)[C@@]1([C@@H](Cc3cn2C)[N@@H+](C[C@@H](C1)COC(=O)c1cc(cnc1)Br)C)OC,485.39300000000003,4.063,127.59,57.79,31,1,5,YSEXMKHXIOCEJA-FVFQAYNVSA-O,C24H27BrN3O3+,COC12CC(COC(=O)c3cncc(c3)Br)C[NH+](C1Cc1c3c2cccc3n(c1)C)C,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/p+1/t15-,21-,24+/m1/s1",-6.0019,-4.6195,-4.5915,-4.5134,-4.3467,-2.8693,1.5861,1.598,1.607,1.9104,2.3299,D01290_C04AE02,202e000a0c4206c046200600020240040100801040020a0800200080012404001c005091c1008033788a2418200100c0010200400024e110040080820100a2100c100e0a401008000008e901268800980080015004003028c008090080095050000000200020000000c0000090513c00100781410241100008c8806302c00000,0500000030f005,068040020400000000009000000000004001000000109800000000000000000000004640c02204,0000000000200100030476d29bdd8ce72973dbff1f,0,16,45,1,0,5,58,62,-11.335999999999999,-3.551,4,,0.31834057,+,1.5954,-,1.5954,https://www.genome.jp/dbget-bin/www_bget?dr:D01290
1821,D08271, Nicergoline tartrate, Ergot alkaloids,C04AE02,CARDIOVASCULAR SYSTEM,c1cc2c3c(c1)[C@@]1([C@@H](Cc3cn2C)[N@@H+](C[C@@H](C1)COC(=O)c1cc(cnc1)Br)C)OC,485.39300000000003,4.063,127.59,57.79,31,1,5,YSEXMKHXIOCEJA-FVFQAYNVSA-O,C24H27BrN3O3+,COC12CC(COC(=O)c3cncc(c3)Br)C[NH+](C1Cc1c3c2cccc3n(c1)C)C,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/p+1/t15-,21-,24+/m1/s1",-5.9807,-4.6324,-4.578,-4.5026,-4.2314,-2.8966,1.58,1.5899,1.5903,1.6108,1.9125,D08271_C04AE02,202e000a0c4206c046200600020240040100801040020a0800200080012404001c005091c1008033788a2418200100c0010200400024e110040080820100a2100c100e0a401008000008e901268800980080015004003028c008090080095050000000200020000000c0000090513c00100781410241100008c8806302c00000,0500000030f005,068040020400000000009000000000004001000000109800000000000000000000004640c02204,0000000000200100030476d29bdd8ce72973dbff1f,0,16,45,1,0,5,58,62,-11.33,-3.487,4,1.0,0.0205297,+,1.5954,-,1.5954,https://www.genome.jp/dbget-bin/www_bget?dr:D08271
1822,D07834, Dihydroergocristine (BAN), Ergot alkaloids,C04AE04,CARDIOVASCULAR SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C(C)C)O,612.738,3.136,180.601,119.41,50,4,8,DEQITUUQPICUMR-HJPBWRTMSA-O,C35H42N5O5+,O=C(C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/p+1/t23-,25-,27-,28+,29+,34-,35+/m1/s1",-6.0163,-5.9967,-5.6704,-4.8288,-4.6283,-4.5997,2.6285,2.6394,2.8311,3.069,3.3791,D07834_C04AE04,20264000004206a01b0006000202400c2100a0304000801802100880003c04303c00509323008033f88624382001004001020000182d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad0000c0000a0003802001080030080110c00100781c502011000007ec02142000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c636df9bebbcc7957fffff1f,0,16,75,3,0,6,87,94,-11.198,-3.467,8,0.0,0.6593717929999999,+,5.6549,-,5.6549,https://www.genome.jp/dbget-bin/www_bget?dr:D07834
1823,D07833, Dihydroergocristine mesilate (BAN), Ergot alkaloids,C04AE04,CARDIOVASCULAR SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C(C)C)O,612.738,3.136,180.601,119.41,50,4,8,DEQITUUQPICUMR-HJPBWRTMSA-O,C35H42N5O5+,O=C(C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/p+1/t23-,25-,27-,28+,29+,34-,35+/m1/s1",-6.0287,-5.9667,-5.821000000000001,-4.8341,-4.6273,-4.6027,2.5994,2.6133,2.8856,3.0946,3.3714,D07833_C04AE04,20264000004206a01b0006000202400c2100a0304000801802100880003c04303c00509323008033f88624382001004001020000182d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad0000c0000a0003802001080030080110c00100781c502011000007ec02142000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c636df9bebbcc7957fffff1f,0,16,75,3,0,6,87,94,-11.198,-3.465,8,1.0,0.659420133,+,5.6549,-,5.6549,https://www.genome.jp/dbget-bin/www_bget?dr:D07833
1824,D00286, Cyclandelate (JAN/USP/INN), Other peripheral vasodilators,C04AX01,CARDIOVASCULAR SYSTEM,c1cccc(c1)[C@H](C(=O)O[C@@H]1CC(C[C@@H](C1)C)(C)C)O,276.371,3.478,79.5508,46.53,27,1,3,WZHCOOQXZCIUNC-VHDGCEQUSA-N,C17H24O3,CC1CC(OC(=O)C(c2ccccc2)O)CC(C1)(C)C,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3/t12-,14+,15-/m1/s1",-4.4118,-3.323,-2.9915,-2.6245,-1.6299,-1.4214,1.1552,1.4372,1.5337,1.5854,2.0149,D00286_C04AX01,00040000002002400200020000020000200000000000000000000080000400001000400800000005200a000820000100010000000020400600000002000082080890080000000440000080000080000100d000400000000840080800000100004000000000000000004000004000080000030100000100000000000140000000,0400002c30b005,0f2800000000000000009000000000000000000000000000000000000000000000000200402804,000000000000000082020000008804e4085493d21e,0,6,38,1,0,4,44,45,-10.122,0.304,3,1.0,0.268540204,-,0.9004,-,0.9004,https://www.genome.jp/dbget-bin/www_bget?dr:D00286
1825,D08358, Phenoxybenzamine (INN), Other peripheral vasodilators,C04AX02,CARDIOVASCULAR SYSTEM,c1ccc(cc1)C[N@@H+]([C@H](COc1ccccc1)C)CCCl,304.834,2.7778,90.4057,13.67,24,1,1,QZVCTJOXCFMACW-INIZCTEOSA-O,C18H23ClNO+,ClCC[NH+](C(COc1ccccc1)C)Cc1ccccc1,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3/p+1/t16-/m0/s1",-6.0309,-5.5904,-4.5225,-4.4059,-1.4933,-1.4481,1.3652,1.5821,1.5856,1.7713,1.8559999999999999,D08358_C04AX02,000202000000040000000600000300000100008000000000000000c800000000100040000000001300810408000000000000820000000000000100020000003008200800011400010000000002088000008000400000200040080000000000000010000200000002000000028010000002060100080100200800000048200404,0100000050f001,810042020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000003240c8582de22142cdbd1f,0,12,33,0,0,8,44,45,-11.937000000000001,-4.303,2,0.0,0.001527132,-,0.4085,-,0.4085,https://www.genome.jp/dbget-bin/www_bget?dr:D08358
1826,D00507, Phenoxybenzamine hydrochloride (USP), Other peripheral vasodilators,C04AX02,CARDIOVASCULAR SYSTEM,c1(C[N@@H+]([C@H](COc2ccccc2)C)CCCl)ccccc1,304.834,2.7778,90.4057,13.67,24,1,1,QZVCTJOXCFMACW-INIZCTEOSA-O,C18H23ClNO+,ClCC[NH+](C(COc1ccccc1)C)Cc1ccccc1,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3/p+1/t16-/m0/s1",-6.0379,-5.7994,-4.478,-4.4648,-1.5298,-1.4904,1.3729,1.5769,1.6012,1.8021,1.8176,D00507_C04AX02,000202000000040000000600000300000100008000000000000000c800000000100040000000001300810408000000000000820000000000000100020000003008200800011400010000000002088000008000400000200040080000000000000010000200000002000000028010000002060100080100200800000048200404,0100000050f001,810042020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000003240c8582de22142cdbd1f,0,12,33,0,0,8,44,45,-11.927,-4.305,2,,0.001565288,-,0.4085,-,0.4085,https://www.genome.jp/dbget-bin/www_bget?dr:D00507
1827,D08677, Vincamine (INN), Other peripheral vasodilators,C04AX07,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c1CC[N@H+]3[C@H]4[C@](C[C@@](n2c14)(C(=O)OC)O)(CCC3)CC,355.45099999999996,3.1046,104.70299999999999,55.9,30,2,4,RXPRRQLKFXBCSJ-GIVPXCGWSA-O,C21H27N2O3+,COC(=O)C1(O)CC2(CC)CCC[NH+]3C2c2n1c1ccccc1c2CC3,"InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/p+1/t18-,20+,21+/m1/s1",-6.1854,-6.0405,-4.6614,-4.5188,-4.4081,-4.0864,1.9171,1.9707,1.9713,1.9715,2.1411,D08677_C04AX07,206e002000021e2042008642060700049000009060430008010000c0002015001604509d01408027188a2118010112440102020008346000260080c60002a2000c451c06601403000080e0019a98001402f0835004803108d0180b108008700001310022002400010240100020501c00d80f0d510211100000c800010a000100,0500000c30f005,0b0040020400000000009000000000000000000000008800000000000000000000004600c02204,0000000000000100834036de9ae9bae70de7dfff1f,0,10,46,1,0,3,53,57,-11.617,-3.742,4,1.0,0.013422969,+,4.6816,-,4.6816,https://www.genome.jp/dbget-bin/www_bget?dr:D08677
1828,D08678, Vincamine hydrochloride, Other peripheral vasodilators,C04AX07,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c1CC[N@H+]3[C@H]4[C@](C[C@@](n2c14)(C(=O)OC)O)(CCC3)CC,355.45099999999996,3.1046,104.70299999999999,55.9,30,2,4,RXPRRQLKFXBCSJ-GIVPXCGWSA-O,C21H27N2O3+,COC(=O)C1(O)CC2(CC)CCC[NH+]3C2c2n1c1ccccc1c2CC3,"InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/p+1/t18-,20+,21+/m1/s1",-6.182,-6.0399,-4.6603,-4.5187,-4.4262,-4.0773,1.9162,1.9648,1.9691,1.9703,2.1406,D08678_C04AX07,206e002000021e2042008642060700049000009060430008010000c0002015001604509d01408027188a2118010112440102020008346000260080c60002a2000c451c06601403000080e0019a98001402f0835004803108d0180b108008700001310022002400010240100020501c00d80f0d510211100000c800010a000100,0500000c30f005,0b0040020400000000009000000000000000000000008800000000000000000000004600c02204,0000000000000100834036de9ae9bae70de7dfff1f,0,10,46,1,0,3,53,57,-11.619000000000002,-3.742,4,0.0,0.013417469,+,4.6816,-,4.6816,https://www.genome.jp/dbget-bin/www_bget?dr:D08678
1829,D08239, Moxisylyte (INN), Other peripheral vasodilators,C04AX10,CARDIOVASCULAR SYSTEM,c1(c(cc(c(c1)C)OC(=O)C)C(C)C)OCC[NH+](C)C,280.383,1.567,82.5537,39.97,29,1,3,VRYMTAVOXVTQEF-UHFFFAOYSA-O,C16H26NO3+,C[NH+](CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3/p+1",-6.0326,-4.6158,-4.5954,-4.5633,-4.4030000000000005,-1.5753,1.4708,1.4765,1.5523,1.5743,1.5862,D08239_C04AX10,000600120000000002000600000300000100000000000800000000c0000000001000400000000012000a0408000000000002020000000800008002020000020008200800011001018000002002828000008800400000200840080800000100000002000000000002000000808010000002060100080100200800004200200004,0500000050f005,050042020400000000009000000000000000000000000000000000000000000000000200c02a01,00000000000001000002325088502d6608d2fef71f,0,6,39,1,0,7,46,46,-11.67,-4.376,0,2.0,3.8488699999999996e-05,+,0.4064,-,0.4064,https://www.genome.jp/dbget-bin/www_bget?dr:D08239
1830,D08239, Moxisylyte (INN), Drugs used in erectile dysfunction,G04BE06,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c(cc(c(c1)C)OC(=O)C)C(C)C)OCC[NH+](C)C,280.383,1.567,82.5537,39.97,29,1,3,VRYMTAVOXVTQEF-UHFFFAOYSA-O,C16H26NO3+,C[NH+](CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3/p+1",-6.0407,-4.6278,-4.6188,-4.569,-4.4219,-1.5785,1.4382,1.4601,1.5979,1.6014,1.6047,D08239_G04BE06,000600120000000002000600000300000100000000000800000000c0000000001000400000000012000a0408000000000002020000000800008002020000020008200800011001018000002002828000008800400000200840080800000100000002000000000002000000808010000002060100080100200800004200200004,0500000050f005,050042020400000000009000000000000000000000000000000000000000000000000200c02a01,00000000000001000002325088502d6608d2fef71f,0,6,39,1,0,7,46,46,-11.67,-4.376,0,2.0,3.8488699999999996e-05,+,0.4064,-,0.4064,https://www.genome.jp/dbget-bin/www_bget?dr:D08239
1831,D01571, Moxisylyte hydrochloride (JAN), Other peripheral vasodilators,C04AX10,CARDIOVASCULAR SYSTEM,c1(c(cc(c(c1)C)OC(=O)C)C(C)C)OCC[NH+](C)C,280.383,1.567,82.5537,39.97,29,1,3,VRYMTAVOXVTQEF-UHFFFAOYSA-O,C16H26NO3+,C[NH+](CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3/p+1",-6.024,-4.6245,-4.5693,-4.5372,-4.4830000000000005,-1.5661,1.4467,1.4822,1.5677,1.5734,1.5859999999999999,D01571_C04AX10,000600120000000002000600000300000100000000000800000000c0000000001000400000000012000a0408000000000002020000000800008002020000020008200800011001018000002002828000008800400000200840080800000100000002000000000002000000808010000002060100080100200800004200200004,0500000050f005,050042020400000000009000000000000000000000000000000000000000000000000200c02a01,00000000000001000002325088502d6608d2fef71f,0,6,39,1,0,7,46,46,-11.668,-4.377,0,1.0,3.84479e-05,+,0.4064,-,0.4064,https://www.genome.jp/dbget-bin/www_bget?dr:D01571
1832,D01571, Moxisylyte hydrochloride (JAN), Drugs used in erectile dysfunction,G04BE06,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c(cc(c(c1)C)OC(=O)C)C(C)C)OCC[NH+](C)C,280.383,1.567,82.5537,39.97,29,1,3,VRYMTAVOXVTQEF-UHFFFAOYSA-O,C16H26NO3+,C[NH+](CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3/p+1",-6.0423,-4.6274,-4.6165,-4.5675,-4.5029,-1.5674,1.4403,1.4611,1.5978,1.6039,1.6059,D01571_G04BE06,000600120000000002000600000300000100000000000800000000c0000000001000400000000012000a0408000000000002020000000800008002020000020008200800011001018000002002828000008800400000200840080800000100000002000000000002000000808010000002060100080100200800004200200004,0500000050f005,050042020400000000009000000000000000000000000000000000000000000000000200c02a01,00000000000001000002325088502d6608d2fef71f,0,6,39,1,0,7,46,46,-11.668,-4.377,0,1.0,3.84479e-05,+,0.4064,-,0.4064,https://www.genome.jp/dbget-bin/www_bget?dr:D01571
1833,D07500, Bencyclane (INN), Other peripheral vasodilators,C04AX11,CARDIOVASCULAR SYSTEM,c1ccccc1CC1(OCCC[NH+](C)C)CCCCCC1,290.46299999999997,2.8733,92.2547,13.67,33,1,1,FYJJXENSONZJRG-UHFFFAOYSA-O,C19H32NO+,C[NH+](CCCOC1(CCCCCC1)Cc1ccccc1)C,"InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3/p+1",-6.0366,-4.6156,-4.607,-4.5592,-1.5845,-1.5462,1.4583,1.4713,1.5745,1.5824,1.5883,D07500_C04AX11,000600000000020002000600020200000010000000000000000000800004000010004000800000010000001820010100010000000020c004000000020000a00808100800000004000000a80000000000008000400000300840080800000800004000000000000000000000004000080000070100020110000000000140000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000000200c02200,00000400000001000202321289d82ce20942dcb51f,0,6,48,0,0,7,53,54,-12.002,-4.135,0,1.0,0.045658995,-,0.8023,-,0.8023,https://www.genome.jp/dbget-bin/www_bget?dr:D07500
1834,D01197, Bencyclane fumarate (JAN), Other peripheral vasodilators,C04AX11,CARDIOVASCULAR SYSTEM,c1ccccc1CC1(OCCC[NH+](C)C)CCCCCC1,290.46299999999997,2.8733,92.2547,13.67,33,1,1,FYJJXENSONZJRG-UHFFFAOYSA-O,C19H32NO+,C[NH+](CCCOC1(CCCCCC1)Cc1ccccc1)C,"InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3/p+1",-6.0372,-4.6121,-4.6066,-4.5489999999999995,-1.5794,-1.5335,1.4524,1.4733,1.5746,1.5828,1.5885,D01197_C04AX11,000600000000020002000600020200000010000000000000000000800004000010004000800000010000001820010100010000000020c004000000020000a00808100800000004000000a80000000000008000400000300840080800000800004000000000000000000000004000080000070100020110000000000140000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000000200c02200,00000400000001000202321289d82ce20942dcb51f,0,6,48,0,0,7,53,54,-12.0,-4.137,0,0.0,0.045658995,-,0.8023,-,0.8023,https://www.genome.jp/dbget-bin/www_bget?dr:D01197
1835,D08676, Vinburnine (INN), Other peripheral vasodilators,C04AX17,CARDIOVASCULAR SYSTEM,[C@@H]12c3n4c5c(c3CC[N@@H+]2CCC[C@]1(CC4=O)CC)cccc5,295.399,3.9267,93.1812,26.44,24,1,2,WYJAPUKIYAZSEM-MOPGFXCFSA-O,C19H23N2O+,CCC12CCC[NH+]3C2c2n(C(=O)C1)c1c(c2CC3)cccc1,"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/p+1/t18-,19+/m1/s1",-6.2649,-6.0492,-4.6038,-4.4979,-3.4819999999999998,-2.2347,1.571,1.7372,1.8729,1.9663,2.0005,D08676_C04AX17,2066c02000020c2043008600260100048000009000410008010000c000201500140450910d4080201886211801011240010202000824200126008087000281000401440260040300008060008a98001400b0835004803108c01809108008700001310022002000010200100020500400180f01518211100000c800010a000300,0500000000f001,0b0040020400000000008000200000000000000000008800000000000000000000004640c03a05,00000000000001000340368e9ae9bac309e34daf1f,0,10,38,1,0,1,45,49,-12.065,-4.115,3,1.0,0.010905063000000001,+,2.5658,-,2.5658,https://www.genome.jp/dbget-bin/www_bget?dr:D08676
1836,D05967, Suloctidil (USAN/INN), Other peripheral vasodilators,C04AX19,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)SC(C)C)[C@H]([C@H](C[NH2+]CCCCCCC)C)O,338.57099999999997,4.3904,106.03399999999999,62.14,38,2,2,SBNRBOQEAZKUTM-PXNSSMCTSA-O,C20H36NOS+,CCCCCCC[NH2+]CC(C(c1ccc(cc1)SC(C)C)O)C,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-14-21-15-17(4)20(22)18-10-12-19(13-11-18)23-16(2)3/h10-13,16-17,20-22H,5-9,14-15H2,1-4H3/p+1/t17-,20-/m0/s1",-5.7169,-5.6299,-4.4223,-4.3857,-2.9121,-2.4812,1.5474,1.5612,1.5768,1.5781,1.7905,D05967_C04AX19,20260100000002500a0006000000000000000010000000000000008001000000190050008000800130001418000100800102000000208000000000020000000408000c000000000000000500020000000080016000007008c0480800000900000000002000000000004000000000000000061100000112000012800100000000,0100002c00f101,072848012400000000000000000000000000000000000000000000000000000000000200c02204,00000000000011840002ab0689482e800516d4b51f,0,6,53,0,0,12,59,59,-10.374,-3.821,2,0.0,0.0006913760000000001,-,0.7462,-,0.7462,https://www.genome.jp/dbget-bin/www_bget?dr:D05967
1837,D07176, Buflomedil (INN), Other peripheral vasodilators,C04AX20,CARDIOVASCULAR SYSTEM,c1c(cc(c(c1OC)C(=O)CCC[NH+]1CCCC1)OC)OC,308.393,2.9232,90.6142,49.2,30,1,4,OWYLAEYXIQKAOL-UHFFFAOYSA-O,C17H26NO4+,COc1cc(OC)cc(c1C(=O)CCC[NH+]1CCCC1)OC,"InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3/p+1",-6.0564,-4.609,-4.561,-4.5523,-2.8123,-1.4259,1.4508,1.4914,1.5646,1.5651,1.5735,D07176_C04AX20,002680000000008002400600000300000000001000081200000000c00000000014045000000000000002021800010000010a0200000000000400000200000000082000000100000100002000028000044090014000003008c00808000008100000020020000004421000020000100000000601000b0110200808000101000200,1500000050f001,020042020400010000000000000000004001000000000000000000000000000000000640c02a01,000000000000010000043697884021e309dbfef71f,0,6,42,1,0,8,48,49,-11.27,-3.753,0,0.0,0.00045356,+,0.7032,-,0.7032,https://www.genome.jp/dbget-bin/www_bget?dr:D07176
1838,D07548, Buflomedil hydrochloride (JAN), Other peripheral vasodilators,C04AX20,CARDIOVASCULAR SYSTEM,c1c(cc(c(c1OC)C(=O)CCC[NH+]1CCCC1)OC)OC,308.393,2.9232,90.6142,49.2,30,1,4,OWYLAEYXIQKAOL-UHFFFAOYSA-O,C17H26NO4+,COc1cc(OC)cc(c1C(=O)CCC[NH+]1CCCC1)OC,"InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3/p+1",-6.0360000000000005,-4.6144,-4.6041,-4.5685,-2.8664,-1.5548,1.4317,1.4969999999999999,1.5649,1.594,1.5961,D07548_C04AX20,002680000000008002400600000300000000001000081200000000c00000000014045000000000000002021800010000010a0200000000000400000200000000082000000100000100002000028000044090014000003008c00808000008100000020020000004421000020000100000000601000b0110200808000101000200,1500000050f001,020042020400010000000000000000004001000000000000000000000000000000000640c02a01,000000000000010000043697884021e309dbfef71f,0,6,42,1,0,8,48,49,-11.27,-3.7539999999999996,0,1.0,0.00045354699999999995,+,0.6898,-,0.6898,https://www.genome.jp/dbget-bin/www_bget?dr:D07548
1839,D08244, Naftidrofuryl (INN), Other peripheral vasodilators,C04AX21,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(ccc2)C[C@@H](C(=O)OCC[NH+](CC)CC)C[C@H]1OCCC1,384.532,3.0355,115.815,39.97,37,1,3,KBAFPSLPKGSANY-YADHBBJMSA-O,C24H34NO3+,CC[NH+](CCOC(=O)C(Cc1cccc2c1cccc2)CC1CCCO1)CC,"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/p+1/t21-,22+/m1/s1",-5.9481,-4.5907,-4.5783,-4.5497,-4.4946,-2.9817,1.5783,1.5946,1.5979,1.7313,1.8154,D08244_C04AX21,00060000000002000200060002020000010000000000000000000080000c00101000400040000013080a0008200100000100000008204010000100020000861008100800081008000000a0000a800004009000400000300840080800000800000000000000000000000000008000280000070180020300000800000140000500,0500000030f005,078040020400000000009000000000000000000000000000000000000000000000004600c02a05,0000000000000101000036c098592aa60903dff71f,0,11,52,1,0,11,62,64,-10.488,-4.113,2,0.0,0.169233948,+,1.1409,-,1.1409,https://www.genome.jp/dbget-bin/www_bget?dr:D08244
1840,D05107, Nafronyl oxalate (USAN), Other peripheral vasodilators,C04AX21,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(ccc2)C[C@@H](C(=O)OCC[NH+](CC)CC)C[C@H]1OCCC1,384.532,3.0355,115.815,39.97,37,1,3,KBAFPSLPKGSANY-YADHBBJMSA-O,C24H34NO3+,CC[NH+](CCOC(=O)C(Cc1cccc2c1cccc2)CC1CCCO1)CC,"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/p+1/t21-,22+/m1/s1",-6.0314,-4.6225,-4.5886,-4.5506,-4.4477,-2.9585,1.5784,1.5928,1.6074,1.6119,1.6136,D05107_C04AX21,00060000000002000200060002020000010000000000000000000080000c00101000400040000013080a0008200100000100000008204010000100020000861008100800081008000000a0000a800004009000400000300840080800000800000000000000000000000000008000280000070180020300000800000140000500,0500000030f005,078040020400000000009000000000000000000000000000000000000000000000004600c02a05,0000000000000101000036c098592aa60903dff71f,0,11,52,1,0,11,62,64,-10.49,-4.113,2,0.0,0.169213846,+,1.1409,-,1.1409,https://www.genome.jp/dbget-bin/www_bget?dr:D05107
1841,D07177, Butalamine (INN), Other peripheral vasodilators,C04AX23,CARDIOVASCULAR SYSTEM,C([NH+](CCNc1nc(no1)c1ccccc1)CCCC)CCC,317.449,2.7066,96.4564,55.39,32,2,4,VYWQZAARVNRSTR-UHFFFAOYSA-O,C18H29N4O+,CCCC[NH+](CCCC)CCNc1onc(n1)c1ccccc1,"InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)/p+1",-6.0281,-5.0573,-4.8251,-4.5382,-4.5291,-4.4311,1.6338,1.7280000000000002,1.7842,1.8126,2.8694,D07177_C04AX23,08220040001a0080000006001c0000092000811220000000000000800000000030404002010000308020003a2000800401022000000000000060000200020200041018004000020080301000020000040090004000e02000d0080000000300000001086088080001008010100000020100060104010118800000000000000108,0100000000f021,03004002040000000000000000000000000000000000b000000000000000000000000600c03a00,000000003000212141d036e6a962be8b55235cad1f,0,11,42,0,0,11,52,53,-11.681,-4.21,0,1.0,0.046948947000000005,+,0.8092,-,0.8092,https://www.genome.jp/dbget-bin/www_bget?dr:D07177
1842,D08735, Visnadine (INN), Other peripheral vasodilators,C04AX24,CARDIOVASCULAR SYSTEM,c12[C@H]([C@H](C(Oc2ccc2c1oc(=O)cc2)(C)C)OC(=O)[C@@H](CC)C)OC(=O)C,388.411,3.5261,102.506,92.04,30,0,7,GVBNSPFBYXGREE-CXWAGAITSA-N,C21H24O7,CCC(C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1)C,"InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1",-4.7302,-4.4444,-4.4197,-2.9934,-2.9817,-1.8264,1.2779,1.4402,1.5349,1.5408,1.6873,D08735_C04AX24,00040000004000400a48020100a300e22100900a11000800006000c0400400081000580b48002005280a003820010100012082000200400d408000022008020808b0085281002411800031000284804640914868000018084008084110690802408a0040004000022041408251120400000301000a0509201800208141000004,04000000703005,07000200000000000000b00000000000000100000000a100000000000000000000004640402805,0000000000000001820200011281876480d9b3d61e,0,11,40,3,0,6,52,54,-9.526,-1.0590000000000002,3,1.0,0.511525691,+,2.1233,-,2.1233,https://www.genome.jp/dbget-bin/www_bget?dr:D08735
1843,D03450, Cetiedil citrate (USAN), Other peripheral vasodilators,C04AX26,CARDIOVASCULAR SYSTEM,C1CCC(CC1)[C@@H](C(=O)OCC[NH+]1CCCCCC1)c1cscc1,350.539,4.9833,106.221,58.98,34,1,3,MMNICIJVQJJHHF-LJQANCHMSA-O,C20H32NO2S+,O=C(C(c1ccsc1)C1CCCCC1)OCC[NH+]1CCCCCC1,"InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2/p+1/t19-/m1/s1",-6.0357,-4.613,-4.595,-4.539,-4.4252,-2.9774,1.5535,1.5865,1.5981,1.6072,1.8855,D03450_C04AX26,002ac10000a002000200060002020000070000300000000000000004004400101000101000000013900a8058200001000142008000204006000000020000861808100800081008000110a0000a80000580900140000230008000080000080000400000200001100000000000c000180000070185020b10000000000100000100,0500000030f005,06004002040000000000900000000000000000000000c000000000000000000000000600c02a05,00000400080001000004b6c68850a0a709034c771f,0,5,52,1,0,7,56,58,-11.479000000000001,-3.907,1,,0.255195379,-,1.9417,-,1.9417,https://www.genome.jp/dbget-bin/www_bget?dr:D03450
1844,D01944, Cinepazide maleate (JAN), Other peripheral vasodilators,C04AX27,CARDIOVASCULAR SYSTEM,c1(c(cc(cc1OC)/C=C/C(=O)N1CC[N@H+](CC1)CC(=O)N1CCCC1)OC)OC,418.50699999999995,1.5201,126.454,72.75,39,1,7,RCUDFXMNPQNBDU-VOTSOKGWSA-O,C22H32N3O5+,COc1cc(C=CC(=O)N2CC[NH+](CC2)CC(=O)N2CCCC2)cc(c1OC)OC,"InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/p+1/b7-6+",-6.0336,-5.0638,-4.5828,-4.5408,-4.1876,-4.1874,2.3522,2.3816,2.3907,2.8051,3.0159,D01944_C04AX27,000300000040000409010600000240080000015000204a00000000800000000018004002230000000006043800000000011a820000800900040100020004002008800000030000010120010002c0000200a0104000002000c00840000000800108040020800014c21000000000100000000601040801102008b0004001000000,0500000050f001,120042020400000000008000120000000001000000000000000000000000000000000640c36a04,0000000000000100804436dd8e60b1e389fbffff1f,0,6,55,3,0,9,62,64,-10.98,-4.079,0,0.0,0.028403485,+,1.3097,-,1.3097,https://www.genome.jp/dbget-bin/www_bget?dr:D01944
1845,D08064, Ifenprodil (INN), Other peripheral vasodilators,C04AX28,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H]([C@@H]([N@@H+]1CC[C@@H](CC1)Cc1ccccc1)C)O)O,326.453,3.9209,103.195,44.9,30,3,2,UYNVMODNBIQBMV-KKSFZXQISA-O,C21H28NO2+,Oc1ccc(cc1)C(C([NH+]1CCC(CC1)Cc1ccccc1)C)O,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/p+1/t16-,21-/m0/s1",-6.04,-4.5851,-4.5787,-4.4434,-2.9036,-2.2204,1.4908,1.5697,1.5839,1.5877,1.9458,D08064_C04AX28,00260000000000400200060000000004000000100000520000000080000000001000508100000003200020180001000001020200000000000000000200000010080008000000080000002000020000000080015000003008c0080800800910000000002000000002004000008000000000060100020110200800000100000000,0100002c02f001,072840020400000000000000000000000000000000010000000000000000000000000600c02204,0000000000002100000432448a4829c30547cdfd1f,0,12,42,0,0,5,52,54,-12.155,-3.637,2,0.0,0.002051067,-,0.9519,-,0.9519,https://www.genome.jp/dbget-bin/www_bget?dr:D08064
1846,D01445, Ifenprodil tartrate (JP17), Other peripheral vasodilators,C04AX28,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)[C@H]([C@@H]([N@@H+]1CC[C@@H](CC1)Cc1ccccc1)C)O)O,326.453,3.9209,103.195,44.9,30,3,2,UYNVMODNBIQBMV-KKSFZXQISA-O,C21H28NO2+,Oc1ccc(cc1)C(C([NH+]1CCC(CC1)Cc1ccccc1)C)O,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/p+1/t16-,21-/m0/s1",-6.0006,-4.5926,-4.5889,-4.4256,-2.8878,-2.2815,1.4839,1.5852,1.5871,1.5923,1.949,D01445_C04AX28,00260000000000400200060000000004000000100000520000000080000000001000508100000003200020180001000001020200000000000000000200000010080008000000080000002000020000000080015000003008c0080800800910000000002000000002004000008000000000060100020110200800000100000000,0100002c02f001,072840020400000000000000000000000000000000010000000000000000000000000600c02204,0000000000002100000432448a4829c30547cdfd1f,0,12,42,0,0,5,52,54,-12.155,-3.638,2,,0.002048781,-,0.9519,-,0.9519,https://www.genome.jp/dbget-bin/www_bget?dr:D01445
1847,D07178, Azapetine (BAN), Other peripheral vasodilators,C04AX30,CARDIOVASCULAR SYSTEM,C1[NH+](Cc2c(c3c1cccc3)cccc2)CC=C,236.332,4.0073,81.4167,4.44,18,1,0,NYGHGTMKALXFIA-UHFFFAOYSA-O,C17H18N+,C=CC[NH+]1Cc2ccccc2c2c(C1)cccc2,"InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2/p+1",-6.0707,-5.8887,-5.8807,-5.8774,-1.7778,-1.1011,2.0203,2.0438,2.045,2.3679,2.384,D07178_C04AX30,000200000000040400000600004100004000008000420800000000c000000000000040002010001000800008000002000000600000000004000100020020020000000000000400200000210002082000008000400000200040080010000000000014000200000000000000000000000000060110000100000100000000200000,0100000000f001,100040020400000000000000000000000000000000000000000000000000000000004600c02200,0000040002000100000432001c0100030083492517,0,12,25,1,0,2,36,38,-12.74,-3.8,0,1.0,0.031469058,+,0.5417,+,0.5417,https://www.genome.jp/dbget-bin/www_bget?dr:D07178
1848,D07941, Fasudil (INN), Other peripheral vasodilators,C04AX32,CARDIOVASCULAR SYSTEM,C1CC[NH2+]CCN1S(=O)(=O)c1cccc2c1ccnc2,292.377,2.7805,86.4414,75.26,22,1,4,NGOGFTYYXHNFQH-UHFFFAOYSA-O,C14H18N3O2S+,O=S(=O)(c1cccc2c1ccnc2)N1CC[NH2+]CCC1,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2/p+1",-10.4873,-9.3746,-9.3502,-5.7091,-5.6828,-4.8812,2.699,2.8856,2.8884,3.1782,3.1917,D07941_C04AX32,600201000200040010000620000400080c000000000000000c01000000000002380040ba0100802008800038000000c8037e0000000060000000000000200000048004004000e08001204000020800000080006004202000600940000000000000000000000002000000000000000c000006b005004010010004800092000000,0100000000f001,020040010400000000000000000000000000000000009000000024000000000000004640c02200,000004800100459e05c5ab26bac3b08b83234d691f,0,11,27,2,0,2,38,40,-11.98,-4.325,0,1.0,0.000363097,-,0.6235,-,0.6235,https://www.genome.jp/dbget-bin/www_bget?dr:D07941
1849,D01840, Fasudil hydrochloride (JAN), Other peripheral vasodilators,C04AX32,CARDIOVASCULAR SYSTEM,C1CC[NH2+]CCN1S(=O)(=O)c1cccc2c1ccnc2,292.377,2.7805,86.4414,75.26,22,1,4,NGOGFTYYXHNFQH-UHFFFAOYSA-O,C14H18N3O2S+,O=S(=O)(c1cccc2c1ccnc2)N1CC[NH2+]CCC1,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2/p+1",-10.4995,-9.3634,-9.3634,-5.7094,-5.6832,-4.9584,2.7006,2.9354,2.9458,3.1846,3.1902,D01840_C04AX32,600201000200040010000620000400080c000000000000000c01000000000002380040ba0100802008800038000000c8037e0000000060000000000000200000048004004000e08001204000020800000080006004202000600940000000000000000000000002000000000000000c000006b005004010010004800092000000,0100000000f001,020040010400000000000000000000000000000000009000000024000000000000004640c02200,000004800100459e05c5ab26bac3b08b83234d691f,0,11,27,2,0,2,38,40,-11.978,-4.329,0,1.0,0.00036305,-,0.6235,-,0.6235,https://www.genome.jp/dbget-bin/www_bget?dr:D01840
1850,D03115, Fasudil hydrochloride hydrate (JAN), Other peripheral vasodilators,C04AX32,CARDIOVASCULAR SYSTEM,C1CC[NH2+]CCN1S(=O)(=O)c1cccc2c1ccnc2,292.377,2.7805,86.4414,75.26,22,1,4,NGOGFTYYXHNFQH-UHFFFAOYSA-O,C14H18N3O2S+,O=S(=O)(c1cccc2c1ccnc2)N1CC[NH2+]CCC1,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2/p+1",-10.4366,-9.365,-9.3615,-5.7094,-5.6823,-4.7376,2.6976,2.7571,2.8437,3.16,3.1877,D03115_C04AX32,600201000200040010000620000400080c000000000000000c01000000000002380040ba0100802008800038000000c8037e0000000060000000000000200000048004004000e08001204000020800000080006004202000600940000000000000000000000002000000000000000c000006b005004010010004800092000000,0100000000f001,020040010400000000000000000000000000000000009000000024000000000000004640c02200,000004800100459e05c5ab26bac3b08b83234d691f,0,11,27,2,0,2,38,40,-11.979000000000001,-4.325,0,1.0,0.00036298300000000004,-,0.6235,-,0.6235,https://www.genome.jp/dbget-bin/www_bget?dr:D03115
1851,D01367, Fluorometholone (JP17/USP/INN), Corticosteroids,C05AA06,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6346,-2.9667,-2.3092,-1.9296,-1.9011,-1.6253,1.0025,1.0993,1.4261,1.4649,1.9744,D01367_C05AA06,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1852,D01367, Fluorometholone (JP17/USP/INN)," Corticosteroids, moderately potent (group II)",D07AB06,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6292,-2.9716,-2.319,-1.9115,-1.8522,-1.6177,1.1101,1.1465,1.2001,1.4246,1.5827,D01367_D07AB06,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1853,D01367, Fluorometholone (JP17/USP/INN)," Corticosteroids, moderately potent, other combinations",D07XB04,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6344,-2.9671,-2.3091,-1.9293,-1.9011,-1.6241,1.0032,1.0982,1.426,1.4644,1.9724,D01367_D07XB04,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1854,D01367, Fluorometholone (JP17/USP/INN)," Corticosteroids, combinations for treatment of acne",D10AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6322,-2.9669,-2.3089,-1.9298,-1.9021,-1.6312,1.0051,1.0991,1.4265,1.4682,1.972,D01367_D10AA01,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1855,D01367, Fluorometholone (JP17/USP/INN)," Corticosteroids, plain",S01BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6347,-2.9675,-2.3092,-1.9292,-1.9015,-1.6236,1.0049,1.0972,1.4262,1.4643,1.9735,D01367_S01BA07,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1856,D01367, Fluorometholone (JP17/USP/INN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)O)C)O)F)C)C,376.462,2.9233,100.795,74.6,33,2,4,FAOZLTXFLGPHNG-KNAQIMQKSA-N,C22H29FO4,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",-3.6347,-2.9671,-2.3091,-1.9292,-1.9011,-1.6242,1.0035,1.0982,1.4261,1.4644,1.973,D01367_S01CB05,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086948d2cc0ad5cb7d21c,1,0,55,4,0,1,56,59,-10.227,-0.43200000000000005,8,1.0,0.236474574,-,2.4313,-,2.4313,https://www.genome.jp/dbget-bin/www_bget?dr:D01367
1857,D04221, Fluorometholone acetate (USAN), Corticosteroids,C05AA06,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.4348,-3.6364,-3.0114,-2.9739,-1.9168,-1.6389,1.3156,1.3314,1.3688,1.4099,1.4682,D04221_C05AA06,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1858,D04221, Fluorometholone acetate (USAN)," Corticosteroids, moderately potent (group II)",D07AB06,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.399,-3.6298,-3.0051,-2.9751,-1.9187,-1.7885,1.2531,1.3306,1.4136,1.4669999999999999,1.5234,D04221_D07AB06,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1859,D04221, Fluorometholone acetate (USAN)," Corticosteroids, moderately potent, other combinations",D07XB04,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.4365,-3.6351,-2.9839,-2.9663,-1.9316,-1.6336,1.3465,1.3586,1.4134,1.4619,1.5344,D04221_D07XB04,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1860,D04221, Fluorometholone acetate (USAN)," Corticosteroids, combinations for treatment of acne",D10AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.4143,-3.6337,-3.0206,-2.9739999999999998,-1.9144,-1.4635,1.2577,1.345,1.3642,1.3886,1.3932,D04221_D10AA01,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1861,D04221, Fluorometholone acetate (USAN)," Corticosteroids, plain",S01BA07,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.4572,-3.6294,-2.9997,-2.9771,-1.9123,-1.7137,1.3279,1.3523,1.4178,1.4316,1.5282,D04221_S01BA07,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1862,D04221, Fluorometholone acetate (USAN), Corticosteroids/antiinfectives/mydriatics in combination,S01CB05,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)C)OC(=O)C)C)O)F)C)C,418.49800000000005,3.4941,110.53200000000001,80.67,36,1,5,YRFXGQHBPBMFHW-SBTZIJSASA-N,C24H31FO5,O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1",-4.3837,-3.6282,-3.0053,-2.9725,-1.9138,-1.5986,1.2318,1.2955,1.3412,1.4078,1.4448,D04221_S01CB05,00020002000002240200000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020411200000080000082000810080000040000000080002880020400d000400000000000001000000000010204000280000000000000000014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084948d2ce4a95cb7d21c,1,0,59,5,0,3,61,64,-10.279000000000002,-0.54,8,1.0,0.342335016,-,2.9952,-,2.9952,https://www.genome.jp/dbget-bin/www_bget?dr:D04221
1863,D04218, Fluocortolone (USAN/INN), Corticosteroids,C05AA08,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.6367,100.719,74.6,33,2,4,GAKMQHDJQHZUTJ-ULHLPKEOSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",-3.6308,-2.9831,-2.3587,-1.9198,-1.8167,-1.7168,0.9871,0.9924,1.0158,1.156,1.4465,D04218_C05AA08,00020000000002240000000300000000000000b0204040002000000000002000100810000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000000800000010000000008102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,1,0,55,4,0,2,56,59,-10.517999999999999,-0.6809999999999999,9,-1.0,0.207534671,-,2.1402,-,2.1402,https://www.genome.jp/dbget-bin/www_bget?dr:D04218
1864,D04218, Fluocortolone (USAN/INN)," Corticosteroids, potent (group III)",D07AC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.6367,100.719,74.6,33,2,4,GAKMQHDJQHZUTJ-ULHLPKEOSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",-3.6299,-2.9808,-2.3529,-1.9328,-1.7988,-1.7158,0.9640000000000001,1.0141,1.0933,1.1069,1.4431,D04218_D07AC05,00020000000002240000000300000000000000b0204040002000000000002000100810000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000000800000010000000008102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,1,0,55,4,0,2,56,59,-10.517999999999999,-0.6809999999999999,9,-1.0,0.207534671,-,2.1402,-,2.1402,https://www.genome.jp/dbget-bin/www_bget?dr:D04218
1865,D04218, Fluocortolone (USAN/INN)," Corticosteroids, potent, other combinations",D07XC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.6367,100.719,74.6,33,2,4,GAKMQHDJQHZUTJ-ULHLPKEOSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",-3.6484,-2.9817,-2.3531,-1.9326,-1.7963,-1.7175,0.9662,1.0139,1.1079,1.2188,1.4417,D04218_D07XC05,00020000000002240000000300000000000000b0204040002000000000002000100810000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000000800000010000000008102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,1,0,55,4,0,2,56,59,-10.517999999999999,-0.6809999999999999,9,-1.0,0.207534671,-,2.1402,-,2.1402,https://www.genome.jp/dbget-bin/www_bget?dr:D04218
1866,D04218, Fluocortolone (USAN/INN), Glucocorticoids,H02AB03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.6367,100.719,74.6,33,2,4,GAKMQHDJQHZUTJ-ULHLPKEOSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",-3.6176,-2.9831,-2.3559,-1.933,-1.7848,-1.7173,0.9664,1.0148,1.0565,1.2116,1.4380000000000002,D04218_H02AB03,00020000000002240000000300000000000000b0204040002000000000002000100810000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000000800000010000000008102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,1,0,55,4,0,2,56,59,-10.517999999999999,-0.6809999999999999,9,-1.0,0.207534671,-,2.1402,-,2.1402,https://www.genome.jp/dbget-bin/www_bget?dr:D04218
1867,D04219, Fluocortolone caproate (USAN), Corticosteroids,C05AA08,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)CCCCC)C)C)O)F)C,474.605,4.7679,129.684,80.67,44,1,5,WHZRCUIISKRTJL-YTZKRAOUSA-N,C28H39FO5,CCCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",-4.4221,-3.6326,-2.997,-2.9841,-1.9328,-1.7174,1.2737,1.3581,1.3807,1.3986,1.4422,D04219_C05AA08,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,1,0,71,5,0,8,73,76,-8.995,-0.7490000000000001,9,,0.7050342559999999,-,2.9141,-,2.9141,https://www.genome.jp/dbget-bin/www_bget?dr:D04219
1868,D04219, Fluocortolone caproate (USAN)," Corticosteroids, potent (group III)",D07AC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)CCCCC)C)C)O)F)C,474.605,4.7679,129.684,80.67,44,1,5,WHZRCUIISKRTJL-YTZKRAOUSA-N,C28H39FO5,CCCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",-4.4462,-3.6268,-2.9876,-2.9806,-1.9342,-1.7179,1.1221,1.2462,1.3401,1.3748,1.4365,D04219_D07AC05,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,1,0,71,5,0,8,73,76,-8.995,-0.7490000000000001,9,,0.7050342559999999,-,2.9141,-,2.9141,https://www.genome.jp/dbget-bin/www_bget?dr:D04219
1869,D04219, Fluocortolone caproate (USAN)," Corticosteroids, potent, other combinations",D07XC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)CCCCC)C)C)O)F)C,474.605,4.7679,129.684,80.67,44,1,5,WHZRCUIISKRTJL-YTZKRAOUSA-N,C28H39FO5,CCCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",-4.4522,-3.6259,-2.9849,-2.9752,-1.9328,-1.9255,1.331,1.3933,1.4362,1.4767,1.4811,D04219_D07XC05,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,1,0,71,5,0,8,73,76,-8.995,-0.7490000000000001,9,,0.7050342559999999,-,2.9141,-,2.9141,https://www.genome.jp/dbget-bin/www_bget?dr:D04219
1870,D04219, Fluocortolone caproate (USAN), Glucocorticoids,H02AB03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)CCCCC)C)C)O)F)C,474.605,4.7679,129.684,80.67,44,1,5,WHZRCUIISKRTJL-YTZKRAOUSA-N,C28H39FO5,CCCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",-4.4,-3.6279,-3.0,-2.9833,-1.9152,-1.716,1.2362,1.2768,1.3541,1.3699,1.4386,D04219_H02AB03,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,1,0,71,5,0,8,73,76,-8.995,-0.7490000000000001,9,,0.7050342559999999,-,2.9141,-,2.9141,https://www.genome.jp/dbget-bin/www_bget?dr:D04219
1871,D07973, Fluocortolone 21-pivalate, Corticosteroids,C05AA08,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)C(C)(C)C)C)C)O)F)C,460.57800000000003,4.2337,124.617,80.67,42,1,5,XZBJVIQXJHGUBE-HZMVJJPJSA-N,C27H37FO5,O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",-4.4323,-3.6310000000000002,-2.9914,-2.9877,-1.9322,-1.715,1.246,1.2555,1.3437,1.3765,1.4402,D07973_C05AA08,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,1,0,68,5,0,5,70,73,-10.494000000000002,-0.645,9,1.0,0.40959689,-,3.4074,-,3.4074,https://www.genome.jp/dbget-bin/www_bget?dr:D07973
1872,D07973, Fluocortolone 21-pivalate," Corticosteroids, potent (group III)",D07AC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)C(C)(C)C)C)C)O)F)C,460.57800000000003,4.2337,124.617,80.67,42,1,5,XZBJVIQXJHGUBE-HZMVJJPJSA-N,C27H37FO5,O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",-4.4331,-3.6264,-2.9864,-2.9863,-1.9307,-1.7168,1.2656,1.3061,1.3641,1.3712,1.4357,D07973_D07AC05,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,1,0,68,5,0,5,70,73,-10.494000000000002,-0.645,9,1.0,0.40959689,-,3.4074,-,3.4074,https://www.genome.jp/dbget-bin/www_bget?dr:D07973
1873,D07973, Fluocortolone 21-pivalate," Corticosteroids, potent, other combinations",D07XC05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)C(C)(C)C)C)C)O)F)C,460.57800000000003,4.2337,124.617,80.67,42,1,5,XZBJVIQXJHGUBE-HZMVJJPJSA-N,C27H37FO5,O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",-4.4421,-3.6298,-2.9792,-2.977,-1.9346,-1.9299,1.3072,1.3802,1.4379,1.4623,1.4903,D07973_D07XC05,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,1,0,68,5,0,5,70,73,-10.494000000000002,-0.645,9,1.0,0.40959689,-,3.4074,-,3.4074,https://www.genome.jp/dbget-bin/www_bget?dr:D07973
1874,D07973, Fluocortolone 21-pivalate, Glucocorticoids,H02AB03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)C(C)(C)C)C)C)O)F)C,460.57800000000003,4.2337,124.617,80.67,42,1,5,XZBJVIQXJHGUBE-HZMVJJPJSA-N,C27H37FO5,O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",-4.3998,-3.6295,-2.9972,-2.9865,-1.9134,-1.7161,1.2511,1.2781,1.3591,1.3769,1.4345,D07973_H02AB03,00020002000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,1,0,68,5,0,5,70,73,-10.494000000000002,-0.645,9,1.0,0.40959689,-,3.4074,-,3.4074,https://www.genome.jp/dbget-bin/www_bget?dr:D07973
1875,D01825, Fluocinolone acetonide (JP17/USP/INN), Corticosteroids,C05AA10,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)F)C,452.48800000000006,2.3668,110.554,93.06,36,2,6,FEBLZLNTKCEFIT-VSXGLTOVSA-N,C24H30F2O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6109,-3.0998,-3.0681,-2.9792,-2.3494,-1.9162,1.3534,1.4114,1.4321,1.4551,1.9028,D01825_C05AA10,000200000000a2240000001300020000200000b4204040002200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,2,0,62,4,0,2,62,66,-10.513,-0.778,9,,0.320039749,-,3.4561,-,3.4561,https://www.genome.jp/dbget-bin/www_bget?dr:D01825
1876,D01825, Fluocinolone acetonide (JP17/USP/INN)," Corticosteroids, potent (group III)",D07AC04,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)F)C,452.48800000000006,2.3668,110.554,93.06,36,2,6,FEBLZLNTKCEFIT-VSXGLTOVSA-N,C24H30F2O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6144,-3.0801,-3.0771,-2.9652,-2.3409,-1.9172,1.3548,1.4102,1.4391,1.5725,1.9059,D01825_D07AC04,000200000000a2240000001300020000200000b4204040002200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,2,0,62,4,0,2,62,66,-10.513,-0.778,9,,0.320039749,-,3.4561,-,3.4561,https://www.genome.jp/dbget-bin/www_bget?dr:D01825
1877,D01825, Fluocinolone acetonide (JP17/USP/INN)," Corticosteroids, plain",S01BA15,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)F)C,452.48800000000006,2.3668,110.554,93.06,36,2,6,FEBLZLNTKCEFIT-VSXGLTOVSA-N,C24H30F2O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6334,-3.16,-3.1599,-2.9727,-2.358,-1.9249,1.3035,1.4282,1.4483,1.5512,1.7443,D01825_S01BA15,000200000000a2240000001300020000200000b4204040002200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,2,0,62,4,0,2,62,66,-10.513,-0.778,9,,0.320039749,-,3.4561,-,3.4561,https://www.genome.jp/dbget-bin/www_bget?dr:D01825
1878,D01825, Fluocinolone acetonide (JP17/USP/INN), Corticosteroids,S02BA08,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)F)C,452.48800000000006,2.3668,110.554,93.06,36,2,6,FEBLZLNTKCEFIT-VSXGLTOVSA-N,C24H30F2O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.6093,-3.0980000000000003,-3.0579,-2.9811,-2.3531,-1.9162,1.3593,1.4103,1.4262,1.4537,1.8999,D01825_S02BA08,000200000000a2240000001300020000200000b4204040002200000000042000140852080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000110900000010000000408102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,2,0,62,4,0,2,62,66,-10.513,-0.778,9,,0.320039749,-,3.4561,-,3.4561,https://www.genome.jp/dbget-bin/www_bget?dr:D01825
1879,D00325, Fluocinonide (JP17/USP/INN), Corticosteroids,C05AA11,CARDIOVASCULAR SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)C)OC(O1)(C)C)C)O)F)F)C,494.525,2.9376,120.291,99.13,39,1,7,WJOHZNCJWYWUJD-IUGZLZTKSA-N,C26H32F2O7,CC(=O)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",-4.4609,-3.6326,-3.1705,-3.1447,-2.9818,-2.9806,1.3913,1.4177,1.4418,1.5362,1.554,D00325_C05AA11,000200020000a2240a00001300020000200000b42040400022000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000130900000110000000408102000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949d8ce4a95db3d71c,2,0,66,5,0,4,67,71,-10.464,-0.64,9,0.0,0.480313241,-,4.1667,-,4.1667,https://www.genome.jp/dbget-bin/www_bget?dr:D00325
1880,D00325, Fluocinonide (JP17/USP/INN)," Corticosteroids, potent (group III)",D07AC08,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)C)OC(O1)(C)C)C)O)F)F)C,494.525,2.9376,120.291,99.13,39,1,7,WJOHZNCJWYWUJD-IUGZLZTKSA-N,C26H32F2O7,CC(=O)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)(C)C,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",-4.417,-3.6286,-3.1685,-3.1419,-3.0073,-2.9771,1.3868,1.3943,1.4066,1.4392,1.54,D00325_D07AC08,000200020000a2240a00001300020000200000b42040400022000000000420001408520800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000130900000110000000408102000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949d8ce4a95db3d71c,2,0,66,5,0,4,67,71,-10.464,-0.64,9,0.0,0.480313241,-,4.1667,-,4.1667,https://www.genome.jp/dbget-bin/www_bget?dr:D00325
1881,D00551, Tetracaine (USP/INN), Local anesthetics,C05AD02,CARDIOVASCULAR SYSTEM,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0295,-4.9266,-4.6202,-4.6003,-4.5457,-4.2308,1.5461,1.5756,1.5759999999999998,1.579,1.8822,D00551_C05AD02,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.62,-4.313,0,,0.0038747720000000003,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00551
1882,D00551, Tetracaine (USP/INN), Anesthetics for topical use,D04AB06,DERMATOLOGICALS,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0357,-4.9186,-4.6272,-4.6172,-4.5822,-4.2958,1.5422,1.5629,1.5953,1.5987,1.6008,D00551_D04AB06,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.62,-4.313,0,,0.0038747720000000003,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00551
1883,D00551, Tetracaine (USP/INN), Esters of aminobenzoic acid,N01BA03,NERVOUS SYSTEM,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0285,-4.9147,-4.6224,-4.5998,-4.5351,-4.2965,1.5381,1.5725,1.5798,1.5833,1.8754,D00551_N01BA03,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.62,-4.313,0,,0.0038747720000000003,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00551
1884,D00551, Tetracaine (USP/INN), Local anesthetics,S01HA03,SENSORY ORGANS,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0272,-4.9278,-4.6292,-4.6152,-4.5536,-4.3081,1.5515,1.5741,1.5818,1.5861,2.0278,D00551_S01HA03,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.62,-4.313,0,,0.0038747720000000003,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00551
1885,D00741, Tetracaine hydrochloride (JP17/USP), Local anesthetics,C05AD02,CARDIOVASCULAR SYSTEM,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0281,-4.9155,-4.6225,-4.6085,-4.5339,-4.2262,1.5667,1.5856,1.5873,1.6322,2.0154,D00741_C05AD02,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.620999999999999,-4.314,0,0.0,0.003879362,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00741
1886,D00741, Tetracaine hydrochloride (JP17/USP), Anesthetics for topical use,D04AB06,DERMATOLOGICALS,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0272,-4.9154,-4.6183,-4.5974,-4.5282,-4.2257,1.5777,1.5822,1.5827,1.6372,1.8148,D00741_D04AB06,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.620999999999999,-4.314,0,0.0,0.003879362,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00741
1887,D00741, Tetracaine hydrochloride (JP17/USP), Esters of aminobenzoic acid,N01BA03,NERVOUS SYSTEM,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.03,-4.919,-4.6206,-4.6044,-4.5268,-4.2973,1.5425,1.5697,1.5818,1.5843,1.7659,D00741_N01BA03,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.620999999999999,-4.314,0,0.0,0.003879362,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00741
1888,D00741, Tetracaine hydrochloride (JP17/USP), Local anesthetics,S01HA03,SENSORY ORGANS,c1(C(=O)OCC[NH+](C)C)ccc(cc1)NCCCC,265.371,1.2729,80.0229,42.77,28,2,3,GKCBAIGFKIBETG-UHFFFAOYSA-O,C15H25N2O2+,CCCCNc1ccc(cc1)C(=O)OCC[NH+](C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3/p+1",-6.0286,-4.9226,-4.62,-4.6062,-4.5493,-4.2266,1.5455,1.5758,1.5848,1.5881,1.9634,D00741_S01HA03,00020000000000c00000060000820000800000100000080000200080000400001400400000000032200a02180000104001000000000000080000000200000600080008024810020000800100008000000080004004102000c0080000000100000000000000000000006000009000002000060980000310000008000002400000,0500000030f025,030040820400000000009000000000000001000000000000000000000000000000000240c02200,00000000000001000002325288502e265c325cff1f,0,6,37,1,0,9,44,44,-10.620999999999999,-4.314,0,0.0,0.003879362,-,0.3587,-,0.3587,https://www.genome.jp/dbget-bin/www_bget?dr:D00741
1889,D00552, Benzocaine (USP/INN), Local anesthetics,C05AD03,CARDIOVASCULAR SYSTEM,c1(C(=O)OCC)ccc(cc1)N,165.18900000000002,2.0267,46.9329,52.32,14,1,3,BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,CCOC(=O)c1ccc(cc1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",-5.1054,-5.1052,-4.2644,-2.8926,-1.4412,-1.2087,0.8025,0.8809,1.0794,1.1482,1.368,D00552_C05AD03,00000000000000c00000060000020000000000000000080000200080000400000400400000000020200a0208000000400000000000000000000000020000020008000802400000000000010000800000008000400400000040080000000100000000000000000000004000001000000000020980000100000008000002000000,0400000030b025,010040080000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000080000100224500040ff1f,0,6,16,1,0,3,23,23,-8.906,0.16899999999999998,0,3.0,0.021802995,-,0.158,-,0.158,https://www.genome.jp/dbget-bin/www_bget?dr:D00552
1890,D00552, Benzocaine (USP/INN), Protectives against UV-radiation for topical use,D02BA01,DERMATOLOGICALS,c1(C(=O)OCC)ccc(cc1)N,165.18900000000002,2.0267,46.9329,52.32,14,1,3,BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,CCOC(=O)c1ccc(cc1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",-5.1069,-5.1051,-4.2754,-2.8891,-1.442,-1.2109,0.8034,0.885,1.0787,1.146,1.3673,D00552_D02BA01,00000000000000c00000060000020000000000000000080000200080000400000400400000000020200a0208000000400000000000000000000000020000020008000802400000000000010000800000008000400400000040080000000100000000000000000000004000001000000000020980000100000008000002000000,0400000030b025,010040080000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000080000100224500040ff1f,0,6,16,1,0,3,23,23,-8.906,0.16899999999999998,0,3.0,0.021802995,-,0.158,-,0.158,https://www.genome.jp/dbget-bin/www_bget?dr:D00552
1891,D00552, Benzocaine (USP/INN), Anesthetics for topical use,D04AB04,DERMATOLOGICALS,c1(C(=O)OCC)ccc(cc1)N,165.18900000000002,2.0267,46.9329,52.32,14,1,3,BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,CCOC(=O)c1ccc(cc1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",-5.1059,-5.1057,-4.2585,-2.8952,-1.442,-1.2089,0.8024,0.8815,1.0803,1.1486,1.3674,D00552_D04AB04,00000000000000c00000060000020000000000000000080000200080000400000400400000000020200a0208000000400000000000000000000000020000020008000802400000000000010000800000008000400400000040080000000100000000000000000000004000001000000000020980000100000008000002000000,0400000030b025,010040080000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000080000100224500040ff1f,0,6,16,1,0,3,23,23,-8.906,0.16899999999999998,0,3.0,0.021802995,-,0.158,-,0.158,https://www.genome.jp/dbget-bin/www_bget?dr:D00552
1892,D00552, Benzocaine (USP/INN), Esters of aminobenzoic acid,N01BA05,NERVOUS SYSTEM,c1(C(=O)OCC)ccc(cc1)N,165.18900000000002,2.0267,46.9329,52.32,14,1,3,BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,CCOC(=O)c1ccc(cc1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",-5.105,-5.1046,-4.257,-2.8945,-1.4424,-1.2096,0.8028,0.8822,1.0814,1.1483,1.3685,D00552_N01BA05,00000000000000c00000060000020000000000000000080000200080000400000400400000000020200a0208000000400000000000000000000000020000020008000802400000000000010000800000008000400400000040080000000100000000000000000000004000001000000000020980000100000008000002000000,0400000030b025,010040080000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000080000100224500040ff1f,0,6,16,1,0,3,23,23,-8.906,0.16899999999999998,0,3.0,0.021802995,-,0.158,-,0.158,https://www.genome.jp/dbget-bin/www_bget?dr:D00552
1893,D00552, Benzocaine (USP/INN)," Anesthetics, local",R02AD01,RESPIRATORY SYSTEM,c1(C(=O)OCC)ccc(cc1)N,165.18900000000002,2.0267,46.9329,52.32,14,1,3,BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,CCOC(=O)c1ccc(cc1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",-5.1049,-5.1048,-4.2677,-2.8916,-1.4421,-1.2092,0.8024,0.8811,1.0821,1.1494,1.3687,D00552_R02AD01,00000000000000c00000060000020000000000000000080000200080000400000400400000000020200a0208000000400000000000000000000000020000020008000802400000000000010000800000008000400400000040080000000100000000000000000000004000001000000000020980000100000008000002000000,0400000030b025,010040080000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000080000100224500040ff1f,0,6,16,1,0,3,23,23,-8.906,0.16899999999999998,0,3.0,0.021802995,-,0.158,-,0.158,https://www.genome.jp/dbget-bin/www_bget?dr:D00552
1894,D00733, Dibucaine (USP), Local anesthetics,C05AD04,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9516,-4.6102,-4.5436,-4.5338,-4.2034,-3.8151,1.5764,1.5877,1.5937,2.6371,3.0408,D00733_C05AD04,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.168,-4.401,0,1.0,0.02399753,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D00733
1895,D00733, Dibucaine (USP), Anesthetics for topical use,D04AB02,DERMATOLOGICALS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-6.025,-4.5634,-4.5615,-4.5354,-4.0551,-3.872,1.5851,1.5913,1.5975,1.9506,2.6172,D00733_D04AB02,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.168,-4.401,0,1.0,0.02399753,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D00733
1896,D00733, Dibucaine (USP), Amides,N01BB06,NERVOUS SYSTEM,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.992999999999999,-4.6022,-4.5619,-4.5528,-4.1399,-3.8429,1.5909,1.5909,1.6285,2.6289999999999996,3.1046,D00733_N01BB06,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.168,-4.401,0,1.0,0.02399753,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D00733
1897,D00733, Dibucaine (USP), Local anesthetics,S01HA06,SENSORY ORGANS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9795,-4.5982,-4.5805,-4.5681,-4.1093,-3.8418,1.5897,1.5929,1.6212,2.6164,3.0837,D00733_S01HA06,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.168,-4.401,0,1.0,0.02399753,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D00733
1898,D00733, Dibucaine (USP), Analgesics and anesthetics,S02DA04,SENSORY ORGANS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9291,-4.6233,-4.6042,-4.5992,-4.109,-3.8772,1.6141,1.6231,1.6311,2.6481,3.1321,D00733_S02DA04,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.168,-4.401,0,1.0,0.02399753,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D00733
1899,D02220, Dibucaine hydrochloride (JP17/USP), Local anesthetics,C05AD04,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9948,-4.5984,-4.5666,-4.5665,-4.1582,-3.8155,1.5819999999999999,1.5909,1.6248,2.6424,2.9952,D02220_C05AD04,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.169,-4.401,0,,0.024010612,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D02220
1900,D02220, Dibucaine hydrochloride (JP17/USP), Anesthetics for topical use,D04AB02,DERMATOLOGICALS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9997,-4.5961,-4.5561,-4.5425,-4.1695,-3.7898,1.5917,1.5927,1.6281,2.6199,2.9922,D02220_D04AB02,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.169,-4.401,0,,0.024010612,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D02220
1901,D02220, Dibucaine hydrochloride (JP17/USP), Amides,N01BB06,NERVOUS SYSTEM,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-6.0328,-4.575,-4.5638,-4.5326,-4.1284,-3.8291,1.5783,1.5862,1.5932,2.0986,2.6271,D02220_N01BB06,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.169,-4.401,0,,0.024010612,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D02220
1902,D02220, Dibucaine hydrochloride (JP17/USP), Local anesthetics,S01HA06,SENSORY ORGANS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-5.9992,-4.6033,-4.5737,-4.5552,-4.1242,-3.8517,1.5841,1.5912,1.6285,2.6598,3.0816,D02220_S01HA06,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.169,-4.401,0,,0.024010612,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D02220
1903,D02220, Dibucaine hydrochloride (JP17/USP), Analgesics and anesthetics,S02DA04,SENSORY ORGANS,c1ccc2c(c1)c(cc(n2)OCCCC)C(=O)NCC[NH+](CC)CC,344.471,2.4591,103.84100000000001,55.66,34,2,4,PUFQVTATUTYEAL-UHFFFAOYSA-O,C20H30N3O2+,CCCCOc1nc2ccccc2c(c1)C(=O)NCC[NH+](CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)/p+1",-6.035,-4.5912,-4.5843,-4.5459,-4.128,-3.8429,1.5852,1.5859999999999999,1.5908,1.8911,2.6206,D02220_S02DA04,200200040080048001000600000300090000008000000000000000c0004000001c804482000080210886022840000240010002000000680000000002080000100c201c20414500318020400002888080008000400400240040080100000201000c10000200000006008100020010048000070104084100201838004402000004,0500000050f001,0300420204000000000080000a0004000001000000009000000000000000000000004640c02a00,00000000000021000140320c9a793f630d735dff1f,0,11,44,1,0,11,55,56,-11.169,-4.401,0,,0.024010612,+,0.5739,-,0.5739,https://www.genome.jp/dbget-bin/www_bget?dr:D02220
1904,D08422, Procaine (INN), Local anesthetics,C05AD05,CARDIOVASCULAR SYSTEM,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0301,-5.1017,-5.1008,-4.5648,-4.5623,-4.5275,1.5295,1.5832,1.5833,1.5947,1.9831,D08422_C05AD05,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,0.0,0.00077987,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D08422
1905,D08422, Procaine (INN), Esters of aminobenzoic acid,N01BA02,NERVOUS SYSTEM,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0329,-5.1025,-5.1022,-4.5838,-4.5567,-4.5069,1.5353,1.5813,1.5819999999999999,1.6009,1.8898,D08422_N01BA02,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,0.0,0.00077987,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D08422
1906,D08422, Procaine (INN), Local anesthetics,S01HA05,SENSORY ORGANS,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0297,-5.1026,-5.1012,-4.5645,-4.562,-4.5312,1.5299,1.5826,1.5851,1.5941,1.9705,D08422_S01HA05,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,0.0,0.00077987,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D08422
1907,D00740, Procaine hydrochloride (JP17/USP), Local anesthetics,C05AD05,CARDIOVASCULAR SYSTEM,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0293,-5.1043,-5.1034,-4.5696,-4.5677,-4.5308,1.5426,1.5826,1.5845,1.5963,1.9017,D00740_C05AD05,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,1.0,0.000780082,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D00740
1908,D00740, Procaine hydrochloride (JP17/USP), Esters of aminobenzoic acid,N01BA02,NERVOUS SYSTEM,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0277,-5.1071,-5.1044,-4.5661,-4.5629,-4.5271,1.5441,1.5797,1.5858,1.5902,1.9022,D00740_N01BA02,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,1.0,0.000780082,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D00740
1909,D00740, Procaine hydrochloride (JP17/USP), Local anesthetics,S01HA05,SENSORY ORGANS,c1(C(=O)OCC[NH+](CC)CC)ccc(cc1)N,237.31799999999998,0.9315,70.3146,56.76,24,2,3,MFDFERRIHVXMIY-UHFFFAOYSA-O,C13H21N2O2+,CC[NH+](CCOC(=O)c1ccc(cc1)N)CC,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3/p+1",-6.0361,-5.1041,-5.1029,-4.5835,-4.5606,-4.5098,1.5457,1.5881,1.5894,1.6053,1.9309,D00740_S01HA05,00020000000000c00000060000020000010000000000080000200080000400000400400000000032200a0208000000400000000000000000000000020000061008000802481000000000010002800000008000400410200040080000000100000000000000000000004000009000000000060980000300000008000002000000,0500000030f025,0100400a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4088582a265d225cff1f,0,6,31,1,0,7,38,38,-10.897,-4.1160000000000005,0,1.0,0.000780082,+,0.2146,-,0.2146,https://www.genome.jp/dbget-bin/www_bget?dr:D00740
1910,D01152, Oxethazaine (JP17/USAN), Local anesthetics,C05AD06,CARDIOVASCULAR SYSTEM,[NH+](CCO)(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,468.651,1.8230000000000002,139.583,65.29,47,2,5,FTLDJPRFCGDUFH-UHFFFAOYSA-O,C28H42N3O3+,OCC[NH+](CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3/p+1",-6.114,-4.9037,-4.7492,-4.4244,-3.9364,-3.8819999999999997,2.3661,2.3889,2.4415,2.7362,2.8037,D01152_C05AD06,0006000000400000030006000000000c0000000000000000000000800000000018004083030000020006203800010000010200000000000000000002000000100800080000001000032000000280000200a000400020300840080800800800000400000000000000000000008000000000060104000110000010000000000000,0500001c00f001,031840020400000000008000120000000000000000000000000000000000000000000200c02a00,00000000000021000242325c88f83c828d365fff1f,0,12,63,2,0,14,76,77,-11.673,-4.297,1,0.0,0.232196748,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D01152
1911,D08311, Oxetacaine hydrochloride, Local anesthetics,C05AD06,CARDIOVASCULAR SYSTEM,[NH+](CCO)(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,468.651,1.8230000000000002,139.583,65.29,47,2,5,FTLDJPRFCGDUFH-UHFFFAOYSA-O,C28H42N3O3+,OCC[NH+](CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3/p+1",-5.9921,-5.1028,-5.0536,-4.5360000000000005,-3.9062,-3.8828,2.4647,2.4753,2.8684,2.9498,3.0093,D08311_C05AD06,0006000000400000030006000000000c0000000000000000000000800000000018004083030000020006203800010000010200000000000000000002000000100800080000001000032000000280000200a000400020300840080800800800000400000000000000000000008000000000060104000110000010000000000000,0500001c00f001,031840020400000000008000120000000000000000000000000000000000000000000200c02a00,00000000000021000242325c88f83c828d365fff1f,0,12,63,2,0,14,76,77,-11.664000000000001,-4.296,1,0.0,0.23608692,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D08311
1912,D08407, Pramocaine (INN), Local anesthetics,C05AD07,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)OCCCC)OCCC[NH+]1CCOCC1,294.409,3.1187,89.4337,32.13,31,1,3,DQKXQSGTHWVTAD-UHFFFAOYSA-O,C17H28NO3+,CCCCOc1ccc(cc1)OCCC[NH+]1CCOCC1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3/p+1",-6.0489,-4.5704,-4.5377,-4.5281,-1.6656,-1.6568,1.4479,1.4521,1.565,1.568,1.5705,D08407_C05AD07,400200020000000000000600000200000100000000000800000000000104000010000000800000130000001800000000010202000000c000000000000000201008210800091008110000000002008000008000400000200040080000000000000000000000000002000000028010000000070180080110200800000000000004,0100000070f001,038042020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000101000432468b50afe30943cff51f,0,6,44,0,0,9,49,50,-10.77,-4.285,0,-2.0,0.014002552,-,0.8848,-,0.8848,https://www.genome.jp/dbget-bin/www_bget?dr:D08407
1913,D08407, Pramocaine (INN), Anesthetics for topical use,D04AB07,DERMATOLOGICALS,c1(ccc(cc1)OCCCC)OCCC[NH+]1CCOCC1,294.409,3.1187,89.4337,32.13,31,1,3,DQKXQSGTHWVTAD-UHFFFAOYSA-O,C17H28NO3+,CCCCOc1ccc(cc1)OCCC[NH+]1CCOCC1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3/p+1",-6.0429,-4.5699,-4.5447,-4.525,-1.6659,-1.6589,1.4518,1.4523,1.5608,1.5628,1.564,D08407_D04AB07,400200020000000000000600000200000100000000000800000000000104000010000000800000130000001800000000010202000000c000000000000000201008210800091008110000000002008000008000400000200040080000000000000000000000000002000000028010000000070180080110200800000000000004,0100000070f001,038042020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000101000432468b50afe30943cff51f,0,6,44,0,0,9,49,50,-10.77,-4.285,0,-2.0,0.014002552,-,0.8848,-,0.8848,https://www.genome.jp/dbget-bin/www_bget?dr:D08407
1914,D00739, Pramoxine hydrochloride (USP), Local anesthetics,C05AD07,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)OCCCC)OCCC[NH+]1CCOCC1,294.409,3.1187,89.4337,32.13,31,1,3,DQKXQSGTHWVTAD-UHFFFAOYSA-O,C17H28NO3+,CCCCOc1ccc(cc1)OCCC[NH+]1CCOCC1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3/p+1",-6.007000000000001,-4.6043,-4.5521,-4.5501,-1.6609,-1.6601,1.4603,1.5589,1.5767,1.584,1.8372,D00739_C05AD07,400200020000000000000600000200000100000000000800000000000104000010000000800000130000001800000000010202000000c000000000000000201008210800091008110000000002008000008000400000200040080000000000000000000000000002000000028010000000070180080110200800000000000004,0100000070f001,038042020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000101000432468b50afe30943cff51f,0,6,44,0,0,9,49,50,-10.77,-4.287,0,,0.013992866000000001,-,0.8848,-,0.8848,https://www.genome.jp/dbget-bin/www_bget?dr:D00739
1915,D00739, Pramoxine hydrochloride (USP), Anesthetics for topical use,D04AB07,DERMATOLOGICALS,c1(ccc(cc1)OCCCC)OCCC[NH+]1CCOCC1,294.409,3.1187,89.4337,32.13,31,1,3,DQKXQSGTHWVTAD-UHFFFAOYSA-O,C17H28NO3+,CCCCOc1ccc(cc1)OCCC[NH+]1CCOCC1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3/p+1",-6.0426,-4.5835,-4.5421,-4.5334,-1.6618,-1.661,1.4543,1.4584,1.5613,1.5643,1.5685,D00739_D04AB07,400200020000000000000600000200000100000000000800000000000104000010000000800000130000001800000000010202000000c000000000000000201008210800091008110000000002008000008000400000200040080000000000000000000000000002000000028010000000070180080110200800000000000004,0100000070f001,038042020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000101000432468b50afe30943cff51f,0,6,44,0,0,9,49,50,-10.77,-4.287,0,,0.013992866000000001,-,0.8848,-,0.8848,https://www.genome.jp/dbget-bin/www_bget?dr:D00739
1916,D07845, Diltiazem (INN), Muscle relaxants,C05AE03,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-5.9682,-4.6208,-4.6145,-4.5287,-4.4643,-3.8042,1.7393,1.7746,1.8164,1.8763,2.1124,D07845_C05AE03,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.936,-4.186,2,1.0,0.135158226,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D07845
1917,D07845, Diltiazem (INN), Benzothiazepine derivatives,C08DB01,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-6.046,-4.6095,-4.5961,-4.5338,-4.4612,-3.7415,1.5916,1.6054,1.6898,1.73,1.8079,D07845_C08DB01,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.936,-4.186,2,1.0,0.135158226,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D07845
1918,D00616, Diltiazem hydrochloride (JP17/USP), Muscle relaxants,C05AE03,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-5.9748,-4.649,-4.6095,-4.5484,-4.3526,-3.7745,1.7273,1.8090000000000002,1.8817,1.896,1.9419,D00616_C05AE03,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.933,-4.187,2,,0.135091275,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D00616
1919,D00616, Diltiazem hydrochloride (JP17/USP), Benzothiazepine derivatives,C08DB01,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-5.9255,-4.6417,-4.6274,-4.5961,-4.4098,-3.7445,1.7303,1.8091,1.8415,2.0636,2.4044,D00616_C08DB01,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.933,-4.187,2,,0.135091275,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D00616
1920,D03830, Diltiazem malate (USAN), Muscle relaxants,C05AE03,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-6.0198,-4.6117,-4.6092,-4.5985,-4.4953,-3.7949,1.7051,1.8168,1.8322,2.0274,2.4191,D03830_C05AE03,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.933,-4.186,2,,0.137250677,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D03830
1921,D03830, Diltiazem malate (USAN), Benzothiazepine derivatives,C08DB01,CARDIOVASCULAR SYSTEM,C1(=O)[C@@H]([C@@H](Sc2c(N1CC[NH+](C)C)cccc2)c1ccc(cc1)OC)OC(=O)C,415.526,2.0164,118.65100000000001,85.58,33,1,6,HSUGRBWQSSZJOP-RTWAWAEBSA-O,C22H27N2O4S+,COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CC[NH+](C)C,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1",-6.0298,-4.6496,-4.636,-4.5851,-4.4034,-3.7916,1.6184,1.6621,1.7023,1.8,1.8427,D03830_C08DB01,2006030700a020102b00060000820008812001180000120800070080006e00001f00480201228033000e4038300131c0010242000800000c200101820800061c0a000c0059101603002014c00290110400d0006004507c08c04a080000080200480000200040040200200000c01010204106118c293712200822800002420000,0500000070f105,01004a022400000000009000200000000000000000000000000000000000000000004600c02a05,00000400080001248046b3589861bd67c0fbffff1f,0,12,44,2,0,7,56,58,-10.933,-4.186,2,,0.137250677,-,1.0673,-,1.0673,https://www.genome.jp/dbget-bin/www_bget?dr:D03830
1922,D01095, Tribenoside (JAN/USAN/INN), Other agents for treatment of hemorrhoids and anal fissures for topical use,C05AX05,CARDIOVASCULAR SYSTEM,C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](OCc2ccccc2)COCc2ccccc2)O1)OCc1ccccc1)O,478.577,4.4963,132.925,66.38,40,1,6,ULLNJSBQMBKOJH-MMBNBZRISA-N,C29H34O6,CCOC1OC(C(C1O)OCc1ccccc1)C(OCc1ccccc1)COCc1ccccc1,"InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26+,27+,28+,29+/m0/s1",-3.1753,-3.1255,-2.3945,-2.3906,-2.3896,-2.1908,1.4771,1.4877,1.5304,1.5645,1.6924,D01095_C05AX05,0000000200008040000002000002000020000024000008000020008000040000100040080000000520000018200010000100000000a04011000000020000800008902a02000008000000810200000000008000400000000060080001002120004000000800280000004000005000280000038100000100800000000140000000,0000002c30b001,01a800000000804000000000000000000000000000000000000000000000000000000637402004,00000000000000018000248500100264094fa3d51e,0,18,54,0,0,13,69,72,-9.75,0.316,5,0.0,0.9108843209999999,+,2.0042,-,2.0042,https://www.genome.jp/dbget-bin/www_bget?dr:D01095
1923,D01095, Tribenoside (JAN/USAN/INN), Other capillary stabilizing agents,C05CX01,CARDIOVASCULAR SYSTEM,C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](OCc2ccccc2)COCc2ccccc2)O1)OCc1ccccc1)O,478.577,4.4963,132.925,66.38,40,1,6,ULLNJSBQMBKOJH-MMBNBZRISA-N,C29H34O6,CCOC1OC(C(C1O)OCc1ccccc1)C(OCc1ccccc1)COCc1ccccc1,"InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26+,27+,28+,29+/m0/s1",-3.1519,-3.1102,-2.3904,-2.3759,-2.3691,-2.2281,1.5222,1.537,1.56,1.5784,1.6258,D01095_C05CX01,0000000200008040000002000002000020000024000008000020008000040000100040080000000520000018200010000100000000a04011000000020000800008902a02000008000000810200000000008000400000000060080001002120004000000800280000004000005000280000038100000100800000000140000000,0000002c30b001,01a800000000804000000000000000000000000000000000000000000000000000000637402004,00000000000000018000248500100264094fa3d51e,0,18,54,0,0,13,69,72,-9.75,0.316,5,0.0,0.9108843209999999,+,2.0042,-,2.0042,https://www.genome.jp/dbget-bin/www_bget?dr:D01095
1924,D04825, Lyapolate sodium (USAN), Heparins or heparinoids for topical use,C05BA02,CARDIOVASCULAR SYSTEM,S(=O)(=O)(C=C)O,108.116,1.0985,21.7898,62.75,6,1,3,NLVXSWCKKBEXTG-UHFFFAOYSA-N,C2H4O3S,C=CS(=O)(=O)O,"InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)",-9.7236,-9.7082,-9.165,-2.4266,-2.0884,-1.9897,1.1368,1.3396,2.4085,2.5989999999999998,2.6367,D04825_C05BA02,2000010000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800200000000000000000000000020004000000000000004000006000000000000000000000000000000005000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000022000000000000000040406800,00000000c280441a140180002482000882040a4008,0,0,6,3,0,1,10,9,-6.34,4.848,0,,1.02644e-09,+,0.7829999999999999,-,0.7829999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D04825
1925,D02276, Ethanolamine oleate (USAN), Sclerosing agents for local injection,C05BB01,CARDIOVASCULAR SYSTEM,C(C/C=C\CCCCCCCC)CCCCCC(=O)O,282.461,6.1085,89.9378,37.3,35,1,2,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,C18H34O2,CCCCCCCCC=CCCCCCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",-4.5773,-4.3869,-1.8531,-0.5713,-0.5704,-0.3817,0.3036,0.3169,0.38799999999999996,0.8895,2.3819,D02276_C05BB01,00000000000002240000000000000000000000800040400000000000000020001000000000800001000a0000000000000100000000204000000000000000000008000800000400000000800008800204001000400000000000001000000000000204000000000000000000000000080000000000000000000000000100000100,0400000c00a002,130000000000000000008800000000000000000000000000000000000000000000000000432800,00000000000000000000000684082e84090404d608,0,0,51,2,0,15,54,53,-4.155,2.7060000000000004,0,-1.0,,-,2.9191,-,2.9191,https://www.genome.jp/dbget-bin/www_bget?dr:D02276
1926,D01993, Polidocanol (JAN), Sclerosing agents for local injection,C05BB02,CARDIOVASCULAR SYSTEM,OCCOCCCCCCCCCCCC,230.387,3.9162,71.6588,29.46,32,1,2,SFNALCNOMXIBKG-UHFFFAOYSA-N,C14H30O2,CCCCCCCCCCCCOCCO,"InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3",-1.9206,-1.5739,-1.5732,-1.1286,-0.9207,-0.7368,0.3024,0.4776,0.4967,0.7371,0.8315,D01993_C05BB02,0000000000000200000000000002000020000000000000000000000000040000100000080000000500000000200000000100000000204000000000000000800008900800000000000000800000000000008000400000000000000000000000000000000000000000000000000000080000010100000000000000000100000000,0000001c30a000,039800000000000000000000000000000000000000000000000000000000000000000000402000,00000000000000008000220480182ea0090604d508,0,0,45,0,0,13,46,45,-10.522,2.2319999999999998,0,1.0,,-,2.2115,-,2.2115,https://www.genome.jp/dbget-bin/www_bget?dr:D01993
1927,D06882, Sodium tetradecyl sulfate (INN), Sclerosing agents for local injection,C05BB04,CARDIOVASCULAR SYSTEM,[C@@H](OS(=O)(=O)O)(CC[C@@H](CCCC)CC)CC(C)C,294.45099999999996,5.2979,81.0328,71.98,33,1,4,GROJOWHVXQYQGN-ZIAGYGMSSA-N,C14H30O4S,CCCCC(CCC(OS(=O)(=O)O)CC(C)C)CC,"InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)/t13-,14-/m1/s1",-10.8347,-10.7901,-10.1981,-6.8166,-2.0439,-1.4955,1.7931,2.416,2.525,2.5974,2.647,D06882_C05BB04,200001000000020000000000008000080000000000000040000000000100000110000002a00000010000002000000000010000000020c000000000000008000008000800020000000200800000000000000000400020000000000000000000000008000000000080000000000000080000004000000000000000000100000000,0000000000a000,070000000000000000000000000000000000000000000000000801000000000000000000402804,00000000c080401a14038004208a2ea88b1c9ed408,0,0,46,2,0,11,49,48,-6.72,5.2989999999999995,2,0.0,,+,0.9442,-,0.9442,https://www.genome.jp/dbget-bin/www_bget?dr:D06882
1928,D00033, Phenol (JP17/USP), Sclerosing agents for local injection,C05BB05,CARDIOVASCULAR SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D00033_C05BB05,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.415,0.54,0,0.0,0.004988133,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D00033
1929,D00033, Phenol (JP17/USP), Phenol and derivatives,D08AE03,DERMATOLOGICALS,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D00033_D08AE03,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.415,0.54,0,0.0,0.004988133,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D00033
1930,D00033, Phenol (JP17/USP), Other local anesthetics,N01BX03,NERVOUS SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D00033_N01BX03,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.415,0.54,0,0.0,0.004988133,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D00033
1931,D00033, Phenol (JP17/USP), Antiseptics,R02AA19,RESPIRATORY SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D00033_R02AA19,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.415,0.54,0,0.0,0.004988133,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D00033
1932,D06534, Phenolated water (JP17), Sclerosing agents for local injection,C05BB05,CARDIOVASCULAR SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D06534_C05BB05,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.408999999999999,0.541,0,1.0,0.004986711,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D06534
1933,D06534, Phenolated water (JP17), Phenol and derivatives,D08AE03,DERMATOLOGICALS,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D06534_D08AE03,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.408999999999999,0.541,0,1.0,0.004986711,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D06534
1934,D06534, Phenolated water (JP17), Other local anesthetics,N01BX03,NERVOUS SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D06534_N01BX03,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.408999999999999,0.541,0,1.0,0.004986711,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D06534
1935,D06534, Phenolated water (JP17), Antiseptics,R02AA19,RESPIRATORY SYSTEM,c1(ccccc1)O,94.1112,1.3922,28.465,20.23,7,1,1,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,Oc1ccccc1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",-0.4639,-0.4453,-0.4298,-0.4031,-0.3073,-0.2986,0.2802,0.3138,0.3163,0.4295,0.4787,D06534_R02AA19,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140004480101e,0,6,7,0,0,0,13,13,-9.408999999999999,0.541,0,1.0,0.004986711,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D06534
1936,D07427, Calcium dobesilate (INN), Other sclerosing agents,C05BX01,CARDIOVASCULAR SYSTEM,c1cc(c(cc1O)S(=O)(=O)O)O,190.174,1.4253,40.3468,103.21,10,3,5,IKQCSJBQLWJEPU-UHFFFAOYSA-N,C6H6O5S,Oc1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)",-9.6578,-9.6494,-9.0916,-3.8079,-2.2302,-2.0331,1.9662,2.4059,2.4341,2.5883,2.5904,D07427_C05BX01,200001000000000200000200000000000000004000000800000000000080000008000008200000000000000800000080002002000000000000000000000200000800000000022080020000000200000000800020002000004008080000200000000200000000000200000400000400000002d000000000200800800000000000,0000000402b001,000000000000000000000000000000000000000000010000000022000000000000000240403800,00000000c080549e140181012082014886ccaa501e,0,6,10,2,0,1,18,18,-5.737,3.483,0,1.0,2.81506e-08,-,0.3018,-,0.3018,https://www.genome.jp/dbget-bin/www_bget?dr:D07427
1937,D08499, Rutoside (INN), Bioflavonoids,C05CA01,CARDIOVASCULAR SYSTEM,c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1cc(c(cc1)O)O)O)O,610.5169999999999,-1.6871,141.379,269.43,45,10,16,IKGXIBQEEMLURG-NVPNHPEKSA-N,C27H30O16,Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)O)O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",-3.1817,-3.1547,-3.1472,-3.1287,-2.2159,-2.2127,1.8157,1.9319,1.9533,2.224,2.3768,D08499_C05CA01,0800b5024002e041010a8211006300016800902cb4000a1400000080000440081040580a00000015280c000820003400035a820000a2481f408800224040860008b22a00210020118800a0021284804010800041900000406008004110612a024022804800280403204800824c123d800003910108010820180020414120400c,0000002c76b001,01280000000180400000000000000000c00100000003a100000000000000000000004677403004,000000000000302180000007121181640ccda3d71e,0,17,59,1,0,6,73,77,-9.318,-0.36,10,1.0,0.037896703999999996,+,3.2369,-,3.2369,https://www.genome.jp/dbget-bin/www_bget?dr:D08499
1938,D00190, Rutin hydrate (JAN), Bioflavonoids,C05CA01,CARDIOVASCULAR SYSTEM,c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1cc(c(cc1)O)O)O)O,610.5169999999999,-1.6871,141.379,269.43,45,10,16,IKGXIBQEEMLURG-NVPNHPEKSA-N,C27H30O16,Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)O)O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",-3.1791,-3.1521,-3.1217,-3.0883,-2.2218,-2.1815,1.8243,1.9379,1.9385,2.2645,2.4449,D00190_C05CA01,0800b5024002e041010a8211006300016800902cb4000a1400000080000440081040580a00000015280c000820003400035a820000a2481f408800224040860008b22a00210020118800a0021284804010800041900000406008004110612a024022804800280403204800824c123d800003910108010820180020414120400c,0000002c76b001,01280000000180400000000000000000c00100000003a100000000000000000000004677403004,000000000000302180000007121181640ccda3d71e,0,17,59,1,0,6,73,77,-9.32,-0.361,10,-1.0,0.03788105,+,3.2369,-,3.2369,https://www.genome.jp/dbget-bin/www_bget?dr:D00190
1939,D07179, Monoxerutin (INN), Bioflavonoids,C05CA02,CARDIOVASCULAR SYSTEM,c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1cc(c(cc1)O)O)O)OCCO,654.57,-2.0216,151.817,278.66,50,10,17,MBHXKZDTQCSVPM-BDAFLREQSA-N,C29H34O17,OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)O)O,"InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1",-3.1663,-3.1523,-3.1499,-3.1297,-2.2475,-2.211,1.8695,1.9457,2.0898,2.2565,2.3833,D07179_C05CA02,0800b5024002e041010a8211006301016800902cb5000a1400000080000440081040580a00002015280c000820003400035a820000a2481f408800224040860008b22a00210020118800a0021284804010800041900000406008004110612a024022804800280443204800824c123d800003910108010820180020414120400c,0000003c76b001,01380200000180400000000000000000c00100000003a100000000000000000000004677403004,0000000000003021800002079211a1640ccfa7d71e,0,17,66,1,0,9,80,84,-9.261000000000001,-0.354,10,0.0,0.02337173,+,3.7716,-,3.7716,https://www.genome.jp/dbget-bin/www_bget?dr:D07179
1940,D07858, Diosmin (INN), Bioflavonoids,C05CA03,CARDIOVASCULAR SYSTEM,c12c(oc(cc1=O)c1cc(c(cc1)OC)O)cc(cc2O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O,608.545,-1.0897,143.825,238.2,46,8,15,GZSOSUNBTXMUFQ-YFAPSIMESA-N,C28H32O15,COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",-3.1722,-3.1534,-3.1473,-3.1317,-2.2254,-2.2111,1.9028,1.9575,2.2566,2.3387,2.3528,D07858_C05CA03,000001004000a04000088201006205016000902cb500020400000080000400081000580a000020152808000820003400011a820000a2481f400800024040860008b22a00210020118800a00212c48040008000411000004060080041006128024002804800280442204800824012288000039100080108201800204141204004,0000002c72b001,01280200000180400000000000000000c00100000001a100000000000000000000004677403004,000000000000302180000017121181640ccdb3d71e,0,17,61,1,0,7,75,79,-9.351,-1.081,10,2.0,0.107690886,+,3.3107,-,3.3107,https://www.genome.jp/dbget-bin/www_bget?dr:D07858
1941,D07180, Troxerutin (INN), Bioflavonoids,C05CA04,CARDIOVASCULAR SYSTEM,c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)c1cc(c(cc1)OCCO)OCCO)O)OCCO,742.675,-2.6906,172.692,297.12,60,10,19,IYVFNTXFRYQLRP-VVSTWUKXSA-N,C33H42O19,OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,"InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",-3.2862,-3.1475,-3.1019,-3.0862,-2.3288,-2.2077,2.0314,2.1237,2.1517,2.2337,2.4905,D07180_C05CA04,0801b5024012e041090a8211006301016800902cb5000a1400000080000440081040580a00002015280c000820003400035a820000a2481f408800224040860008b22a02210020118800a40212c4804010800041900000406008004110612a024022804800280443204800824c123d800003b10108010820180020414120400c,0000003c72b001,01380200000180400000000000000000c00100000001a100000000000000000000004677403004,0000000000003021800002079211a1640ccfa7d71e,0,17,80,1,0,15,94,98,-8.99,-0.526,10,1.0,0.086457819,+,5.1334,-,5.1334,https://www.genome.jp/dbget-bin/www_bget?dr:D07180
1942,D08243, Naftazone (INN), Other capillary stabilizing agents,C05CX02,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)C(=O)/C(=N/NC(=O)N)/C=C2,215.208,2.0116,59.2036,84.55,14,2,5,TZGBBMBARSFJBG-UKTHLTGXSA-N,C11H9N3O2,NC(=O)NN=C1C=Cc2c(C1=O)cccc2,"InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+",-5.8738,-4.6207,-4.2319,-4.2078,-3.2433,-2.6660000000000004,1.8267,1.8486,1.9797,1.9855,2.2194,D08243_C05CX02,000401000008008402000e0040004000000000d00030404001000080000000011400400020d80040000602080805180203282000000c0400009000020084000000001000020000000000200000800200049000400020110843081800404a010200c40011c10000800080000004200022000a110000030001000800000c008804,1400000000b041,100000000000010000000000000000000041001000000000000000000000000000004240437800,0000000010040800107008601523504894e0e16a1f,0,6,16,4,0,2,25,26,-9.055,-1.479,0,-1.0,0.060322546,-,0.5171,-,0.5171,https://www.genome.jp/dbget-bin/www_bget?dr:D08243
1943,D07156, Alprenolol (INN)," Beta blocking agents, non-selective",C07AA01,CARDIOVASCULAR SYSTEM,C([C@H](C[NH2+]C(C)C)O)Oc1c(cccc1)CC=C,250.357,1.1266,76.2962,46.07,26,2,2,PAZJSJFMUHDSTF-AWEZNQCLSA-O,C15H24NO2+,C=CCc1ccccc1OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/p+1/t14-/m0/s1",-5.7104,-5.6753,-4.3667,-4.335,-2.0578,-1.91,1.5479,1.5659,1.5721,1.577,1.7687,D07156_C07AA01,400600000000000402000600000300000000800000000000000000c001002000100040088000000700000018000000000002020000008000008010220000201008200800010020010000000002008000008000400000200840081800100004000006000001000002000080828010000000060100080110200800000000000004,0100002c50f001,132842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000200210080020a428d1009e00cc6f0fd1f,0,6,35,1,0,8,42,42,-12.044,-3.9810000000000003,1,1.0,0.0017294220000000002,-,0.2686,-,0.2686,https://www.genome.jp/dbget-bin/www_bget?dr:D07156
1944,D01182, Alprenolol hydrochloride (JP17/USAN)," Beta blocking agents, non-selective",C07AA01,CARDIOVASCULAR SYSTEM,C([C@H](C[NH2+]C(C)C)O)Oc1c(cccc1)CC=C,250.357,1.1266,76.2962,46.07,26,2,2,PAZJSJFMUHDSTF-AWEZNQCLSA-O,C15H24NO2+,C=CCc1ccccc1OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/p+1/t14-/m0/s1",-5.7095,-5.6746,-4.3666,-4.3115,-2.0669,-1.9124,1.5436,1.5536,1.5627,1.5852,1.7882,D01182_C07AA01,400600000000000402000600000300000000800000000000000000c001002000100040088000000700000018000000000002020000008000008010220000201008200800010020010000000002008000008000400000200840081800100004000006000001000002000080828010000000060100080110200800000000000004,0100002c50f001,132842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000200210080020a428d1009e00cc6f0fd1f,0,6,35,1,0,8,42,42,-12.045,-3.983,1,0.0,0.001725569,-,0.2686,-,0.2686,https://www.genome.jp/dbget-bin/www_bget?dr:D01182
1945,D08318, Oxprenolol (INN)," Beta blocking agents, non-selective",C07AA02,CARDIOVASCULAR SYSTEM,c1cccc(c1OCC=C)OC[C@H](C[NH2+]C(C)C)O,266.356,0.9629,77.8222,55.3,27,2,3,CEMAWMOMDPGJMB-ZDUSSCGKSA-O,C15H24NO3+,C=CCOc1ccccc1OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3/p+1/t13-/m0/s1",-5.6746,-5.6684,-4.3706,-4.3649,-2.0363,-1.919,1.5612,1.5685,1.6021,1.6895,1.8058,D08318_C07AA02,5003000000000004080006000002040000008000000000000000000001000000100000088000000700000018000000000002020010008000000000000000201008a00802010020010000000002408002008000400000200040080000000000000004000000000002000000028010000000062100080110202800000000000004,0100002c50f001,112842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000200210080020a428d1009600cc6f2fd1f,0,6,36,1,0,9,43,43,-11.151,-4.099,1,0.0,0.001099427,-,0.3607,-,0.3607,https://www.genome.jp/dbget-bin/www_bget?dr:D08318
1946,D01806, Oxprenolol hydrochloride (JP17/USP)," Beta blocking agents, non-selective",C07AA02,CARDIOVASCULAR SYSTEM,c1cccc(c1OCC=C)OC[C@H](C[NH2+]C(C)C)O,266.356,0.9629,77.8222,55.3,27,2,3,CEMAWMOMDPGJMB-ZDUSSCGKSA-O,C15H24NO3+,C=CCOc1ccccc1OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3/p+1/t13-/m0/s1",-5.7063,-5.6678,-4.3664,-4.3539,-2.0563,-1.9106,1.5537,1.5619,1.5674,1.5892,1.7906,D01806_C07AA02,5003000000000004080006000002040000008000000000000000000001000000100000088000000700000018000000000002020010008000000000000000201008a00802010020010000000002408002008000400000200040080000000000000004000000000002000000028010000000062100080110202800000000000004,0100002c50f001,112842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000200210080020a428d1009600cc6f2fd1f,0,6,36,1,0,9,43,43,-11.149000000000001,-4.098,1,1.0,0.001088816,-,0.3607,-,0.3607,https://www.genome.jp/dbget-bin/www_bget?dr:D01806
1947,D00513, Pindolol (JP17/USP/INN)," Beta blocking agents, non-selective",C07AA03,CARDIOVASCULAR SYSTEM,c12c([nH]cc2)cccc1OC[C@H](C[NH2+]C(C)C)O,249.329,0.8794,74.0469,61.86,23,3,2,JZQKKSLKJUAGIC-NSHDSACASA-O,C14H21N2O2+,OC(COc1cccc2c1cc[nH]2)C[NH2+]C(C)C,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/p+1/t11-/m0/s1",-5.6715,-5.6656,-4.3904,-4.3595,-2.0569,-1.9839,1.5517,1.5703,1.6021,1.7347,1.7991,D00513_C07AA03,400220000002040000000600000200000000800000000000000000000120000010000088800080270880001800000040000206000000a00004000000000020100c200c00410020010000400006088000008000400400200040080000000000000800000000000806000000028010040000060100080110200800000002000004,0100002c50f001,012842010400000000000000000000000000000000008400000000000000000000004600c02204,000000000000210081020ec2991109610c67d0fd1f,0,10,30,0,0,6,39,40,-10.863,-3.883,1,0.0,0.000434863,+,0.3184,-,0.3184,https://www.genome.jp/dbget-bin/www_bget?dr:D00513
1948,D08443, Propranolol (INN)," Beta blocking agents, non-selective",C07AA05,CARDIOVASCULAR SYSTEM,c12c(OC[C@H](C[NH2+]C(C)C)O)cccc1cccc2,260.351,1.5513,79.6962,46.07,24,2,2,AQHHHDLHHXJYJD-AWEZNQCLSA-O,C16H22NO2+,OC(COc1cccc2c1cccc2)C[NH2+]C(C)C,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1/t14-/m0/s1",-5.7083,-5.6836,-4.3303,-4.2989,-2.0217,-1.9142,1.5361,1.5634,1.5677,1.5739,1.7790000000000001,D08443_C07AA05,4002000000000000000006000002000000008000000000000000000001000000100000088000000708000018000000000002020000008000000000000000201008200800010020010000000002008000008000400000200040080000000000000000000000000002000000028010000000060100080110200800000000000004,0100002c50f001,012842010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000210080020a42991109600c46d1fd1f,0,11,31,0,0,6,41,42,-11.056,-3.966,1,1.0,0.001424856,+,0.2989,-,0.2989,https://www.genome.jp/dbget-bin/www_bget?dr:D08443
1949,D00483, Propranolol hydrochloride (JP17/USP)," Beta blocking agents, non-selective",C07AA05,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(ccc2)OC[C@H](C[NH2+]C(C)C)O,260.351,1.5513,79.6962,46.07,24,2,2,AQHHHDLHHXJYJD-AWEZNQCLSA-O,C16H22NO2+,OC(COc1cccc2c1cccc2)C[NH2+]C(C)C,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/p+1/t14-/m0/s1",-5.7068,-5.6809,-4.3578,-4.34,-2.0345,-1.9148,1.5676,1.5703,1.5784,1.5918,1.7769,D00483_C07AA05,4002000000000000000006000002000000008000000000000000000001000000100000088000000708000018000000000002020000008000000000000000201008200800010020010000000002008000008000400000200040080000000000000000000000000002000000028010000000060100080110200800000000000004,0100002c50f001,012842010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000210080020a42991109600c46d1fd1f,0,11,31,0,0,6,41,42,-11.056,-3.965,1,-1.0,0.001412804,+,0.2989,-,0.2989,https://www.genome.jp/dbget-bin/www_bget?dr:D00483
1950,D08600, Timolol (INN)," Beta blocking agents, non-selective",C07AA06,CARDIOVASCULAR SYSTEM,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7126,-5.6695,-4.3412,-4.3388,-3.1768,-2.9594,1.5972,1.6347,1.7913,2.2989,2.5151,D08600_C07AA06,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.634,-4.002,1,-2.0,0.000468847,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D08600
1951,D08600, Timolol (INN), Beta blocking agents,S01ED01,SENSORY ORGANS,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7106,-5.6731,-4.3556,-4.3544,-3.2279,-2.9615,1.7982,1.9991,2.0074,2.3031,2.5368,D08600_S01ED01,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.634,-4.002,1,-2.0,0.000468847,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D08600
1952,D00378, Timolol (USAN)," Beta blocking agents, non-selective",C07AA06,CARDIOVASCULAR SYSTEM,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7079,-5.6646,-4.3305,-4.3259,-3.2103,-2.9287,1.6879,1.794,1.9217,2.2806,2.5197,D00378_C07AA06,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.632,-4.004,1,,0.000468451,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D00378
1953,D00378, Timolol (USAN), Beta blocking agents,S01ED01,SENSORY ORGANS,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7079,-5.6704,-4.3344,-4.3163,-3.178,-2.9501,1.6371,1.6447,1.7879,2.2866,2.5101,D00378_S01ED01,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.632,-4.004,1,,0.000468451,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D00378
1954,D00603, Timolol maleate (JP17/USP)," Beta blocking agents, non-selective",C07AA06,CARDIOVASCULAR SYSTEM,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7042,-5.6679,-4.3405,-4.3268,-3.1764,-2.9528,1.5894,1.636,1.7921,2.2963,2.5199,D00603_C07AA06,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.634,-4.003,1,0.0,0.00046847800000000004,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D00603
1955,D00603, Timolol maleate (JP17/USP), Beta blocking agents,S01ED01,SENSORY ORGANS,c1(c(nsn1)OC[C@H](C[NH2+]C(C)(C)C)O)N1CCOCC1,317.428,-0.4587,86.2292,112.56,31,2,7,BLJRIMJGRPQVNF-JTQLQIEISA-O,C13H25N4O3S+,OC(C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1",-5.7057,-5.6659,-4.3459,-4.3378,-3.1869,-2.9422,1.6101,1.6463,1.7932,2.2867,2.5092,D00603_S01ED01,400201000090008200000610080200008000000100020030008c80000304000010800308900040b70001201000001008004280001000800200000020020020100c411c000b106001030000001200000a00880440000024000000080020120100400200080100008000000122800000802004418100311040b800000000000104,0100002c70f021,01a84201040000000000000000000401000000000000d000000000000000000000000600c02204,000000002900212387d6beea8bf0b9eb5ff7fefd1f,0,5,42,0,0,7,46,47,-10.634,-4.003,1,0.0,0.00046847800000000004,+,0.7408,-,0.7408,https://www.genome.jp/dbget-bin/www_bget?dr:D00603
1956,D08525, Sotalol (INN)," Beta blocking agents, non-selective",C07AA07,CARDIOVASCULAR SYSTEM,c1([C@@H](C[NH2+]C(C)C)O)ccc(cc1)NS(=O)(=O)C,273.372,1.2171,74.1269,91.39,25,3,4,ZBMZVLHSJCTVON-GFCCVEGCSA-O,C12H21N2O3S+,OC(c1ccc(cc1)NS(=O)(=O)C)C[NH2+]C(C)C,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/p+1/t12-/m1/s1",-8.6508,-8.5927,-8.5518,-5.6903,-5.6803,-4.4722,1.9819,2.4069,2.747,2.8257,3.1327,D08525_C07AA07,600601000000004002000600000000040c000000000000000000008080000000100040810000002220082018000000400042000000000000000000020000001008000a00400008800100000002040000008000400420200840080800800100000000000000000000004000008000000000063940020110000008000002000000,0100002c00f001,012840010400000000000000000000000000000000000000000024000000000000000200c02a04,000000800100651a14038a70a8821808de34dafd1f,0,6,31,2,0,6,39,39,-12.073,-3.886,1,0.0,0.000196672,+,0.3974,-,0.3974,https://www.genome.jp/dbget-bin/www_bget?dr:D08525
1957,D01026, Sotalol hydrochloride (JAN/USP)," Beta blocking agents, non-selective",C07AA07,CARDIOVASCULAR SYSTEM,c1([C@@H](C[NH2+]C(C)C)O)ccc(cc1)NS(=O)(=O)C,273.372,1.2171,74.1269,91.39,25,3,4,ZBMZVLHSJCTVON-GFCCVEGCSA-O,C12H21N2O3S+,OC(c1ccc(cc1)NS(=O)(=O)C)C[NH2+]C(C)C,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/p+1/t12-/m1/s1",-8.6615,-8.5759,-8.5096,-5.699,-5.6896,-4.47,1.9721,2.4037,2.745,2.8093,2.9243,D01026_C07AA07,600601000000004002000600000000040c000000000000000000008080000000100040810000002220082018000000400042000000000000000000020000001008000a00400008800100000002040000008000400420200840080800800100000000000000000000004000008000000000063940020110000008000002000000,0100002c00f001,012840010400000000000000000000000000000000000000000024000000000000000200c02a04,000000800100651a14038a70a8821808de34dafd1f,0,6,31,2,0,6,39,39,-12.075,-3.884,1,,0.00019659299999999998,+,0.3974,-,0.3974,https://www.genome.jp/dbget-bin/www_bget?dr:D01026
1958,D00432, Nadolol (JP17/USP/INN)," Beta blocking agents, non-selective",C07AA12,CARDIOVASCULAR SYSTEM,c12c(C[C@H]([C@H](C2)O)O)cccc1OC[C@H](C[NH2+]C(C)(C)C)O,310.409,-0.3914,86.7908,86.53,32,4,4,VWPOSFSPZNDTMJ-CFVMTHIKSA-O,C17H28NO4+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CC(O)C(C2)O,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/p+1/t12-,14+,15-/m0/s1",-5.7082,-5.6722,-4.3334,-4.3313,-2.0527,-1.9140000000000001,1.5606,1.5665,1.5903,1.7891,2.4033,D00432_C07AA12,400600000000000002480700020300000000800000000000010000c00100000010044008c04000070000001800010000010202000020c800008000220002201808200800010024018000202002008000408100400000300840080800100800000182000000100002000000c2c1100000000601000a0510200800004300000004,0100002c50f001,032842010401000000000000000000000000000000000000000000000000000000004200c02204,000000000000210082020a42999109e00ddef3fd1f,0,6,45,0,0,6,50,51,-11.505999999999998,-3.965,3,1.0,0.000888954,+,0.8189,-,0.8189,https://www.genome.jp/dbget-bin/www_bget?dr:D00432
1959,D07181, Mepindolol (INN)," Beta blocking agents, non-selective",C07AA14,CARDIOVASCULAR SYSTEM,c12c([nH]c(c2)C)cccc1OC[C@H](C[NH2+]C(C)C)O,263.355,1.1878,79.0129,61.86,25,3,2,NXWGWUVGUSFQJC-LBPRGKRZSA-O,C15H23N2O2+,OC(COc1cccc2c1cc([nH]2)C)C[NH2+]C(C)C,"InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3/p+1/t12-/m0/s1",-5.6728,-5.6593,-4.4074,-4.3752,-2.0518,-1.925,1.5574,1.5718,1.5996,1.7648,1.7978,D07181_C07AA14,400224000002040000000600040200000000800000000200000000800120000010004088800080270880001800000040000206000000a00004000002000020100c200c02410022010000400006088000008000400400200040080000000000000800000000000c0600000002a010040000060110080110200800000002000004,0100002c50f001,012842010400000000000000000000000000000000008400000000000000000000004600c02204,000000000000210081020ec2991109610c77d0fd1f,0,10,33,0,0,6,42,43,-10.712,-3.865,1,1.0,0.001118541,+,0.3315,-,0.3315,https://www.genome.jp/dbget-bin/www_bget?dr:D07181
1960,D07624, Carteolol (INN)," Beta blocking agents, non-selective",C07AA15,CARDIOVASCULAR SYSTEM,C1C(=O)Nc2c(C1)c(ccc2)OC[C@H](C[NH2+]C(C)(C)C)O,293.381,0.8109,87.1349,75.17,29,3,4,LWAFSWPYPHEXKX-NSHDSACASA-O,C16H25N2O3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-5.7077,-5.6649,-4.3176,-4.3149,-3.7749,-3.2856,1.558,1.5606,1.5819999999999999,1.7906,1.9842,D07624_C07AA15,40060220000000000b800600008300008010801010000000000000c101080000100440088020002700060018000110400126020008008008008000228080241008200c004100220100001008028080044090004024003808c0080800100800000002000000000006402000868010003000060100080110200802008002400004,0500002c50f001,032842010400000000008000200000000000000000000000000000000000000000004600c02a04,000000000000210082020a4e9bf139e14cf7d7ff1f,0,6,40,1,0,6,46,47,-11.536,-3.9930000000000003,1,1.0,0.0014470720000000002,-,0.4925,-,0.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D07624
1961,D07624, Carteolol (INN), Beta blocking agents,S01ED05,SENSORY ORGANS,C1C(=O)Nc2c(C1)c(ccc2)OC[C@H](C[NH2+]C(C)(C)C)O,293.381,0.8109,87.1349,75.17,29,3,4,LWAFSWPYPHEXKX-NSHDSACASA-O,C16H25N2O3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-5.7127,-5.6708,-4.334,-4.3267,-3.8244,-3.2737,1.5675,1.5684,1.5878,1.7795,1.9908,D07624_S01ED05,40060220000000000b800600008300008010801010000000000000c101080000100440088020002700060018000110400126020008008008008000228080241008200c004100220100001008028080044090004024003808c0080800100800000002000000000006402000868010003000060100080110200802008002400004,0500002c50f001,032842010400000000008000200000000000000000000000000000000000000000004600c02a04,000000000000210082020a4e9bf139e14cf7d7ff1f,0,6,40,1,0,6,46,47,-11.536,-3.9930000000000003,1,1.0,0.0014470720000000002,-,0.4925,-,0.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D07624
1962,D00599, Carteolol hydrochloride (JP17/USP)," Beta blocking agents, non-selective",C07AA15,CARDIOVASCULAR SYSTEM,C1C(=O)Nc2c(C1)c(ccc2)OC[C@H](C[NH2+]C(C)(C)C)O,293.381,0.8109,87.1349,75.17,29,3,4,LWAFSWPYPHEXKX-NSHDSACASA-O,C16H25N2O3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-5.7061,-5.6683,-4.3284,-4.3131,-3.826,-3.2734,1.5546,1.5579,1.5861,1.7901,1.9901,D00599_C07AA15,40060220000000000b800600008300008010801010000000000000c101080000100440088020002700060018000110400126020008008008008000228080241008200c004100220100001008028080044090004024003808c0080800100800000002000000000006402000868010003000060100080110200802008002400004,0500002c50f001,032842010400000000008000200000000000000000000000000000000000000000004600c02a04,000000000000210082020a4e9bf139e14cf7d7ff1f,0,6,40,1,0,6,46,47,-11.505999999999998,-3.995,1,,0.002119206,-,0.4925,-,0.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D00599
1963,D00599, Carteolol hydrochloride (JP17/USP), Beta blocking agents,S01ED05,SENSORY ORGANS,C1C(=O)Nc2c(C1)c(ccc2)OC[C@H](C[NH2+]C(C)(C)C)O,293.381,0.8109,87.1349,75.17,29,3,4,LWAFSWPYPHEXKX-NSHDSACASA-O,C16H25N2O3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-5.7066,-5.6731,-4.3409,-4.3298,-3.8153,-3.2760000000000002,1.5581,1.5657,1.5881,1.788,1.9878,D00599_S01ED05,40060220000000000b800600008300008010801010000000000000c101080000100440088020002700060018000110400126020008008008008000228080241008200c004100220100001008028080044090004024003808c0080800100800000002000000000006402000868010003000060100080110200802008002400004,0500002c50f001,032842010400000000008000200000000000000000000000000000000000000000004600c02a04,000000000000210082020a4e9bf139e14cf7d7ff1f,0,6,40,1,0,6,46,47,-11.505999999999998,-3.995,1,,0.002119206,-,0.4925,-,0.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D00599
1964,D07182, Tertatolol (INN)," Beta blocking agents, non-selective",C07AA16,CARDIOVASCULAR SYSTEM,c1ccc2c(c1OC[C@H](C[NH2+]C(C)(C)C)O)SCCC2,296.448,1.8265,86.4152,71.37,29,2,3,HTWFXPCUFWKXOP-ZDUSSCGKSA-O,C16H26NO2S+,OC(COc1cccc2c1SCCC2)C[NH2+]C(C)(C)C,"InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/p+1/t13-/m0/s1",-5.6726,-5.649,-4.3553,-4.3549,-2.0611,-1.93,1.547,1.5646,1.5944,1.7252,1.8106,D07182_C07AA16,6406010100000010120007000002000000008000500000000000008001a00000190040088001800700008018000100a00102020010408800000000020100201408600800010020038000042102008108008000600000780840480800080800040000000000004002200000428010000000061100080116200802904200000004,0100002c50f101,03284a012400000000000000000000000000000000000000000000000000000000004600c02204,000000000800210482028b429b9129e00cd7d5fd1f,0,6,41,0,0,6,46,47,-10.59,-3.803,1,1.0,0.000166355,-,0.5117,-,0.5117,https://www.genome.jp/dbget-bin/www_bget?dr:D07182
1965,D08572, Tertatolol hydrochloride," Beta blocking agents, non-selective",C07AA16,CARDIOVASCULAR SYSTEM,c1ccc2c(c1OC[C@H](C[NH2+]C(C)(C)C)O)SCCC2,296.448,1.8265,86.4152,71.37,29,2,3,HTWFXPCUFWKXOP-ZDUSSCGKSA-O,C16H26NO2S+,OC(COc1cccc2c1SCCC2)C[NH2+]C(C)(C)C,"InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/p+1/t13-/m0/s1",-5.672000000000001,-5.6609,-4.3612,-4.3364,-2.0566,-1.9202,1.5406,1.5619,1.5894,1.6723,1.8090000000000002,D08572_C07AA16,6406010100000010120007000002000000008000500000000000008001a00000190040088001800700008018000100a00102020010408800000000020100201408600800010020038000042102008108008000600000780840480800080800040000000000004002200000428010000000061100080116200802904200000004,0100002c50f101,03284a012400000000000000000000000000000000000000000000000000000000004600c02204,000000000800210482028b429b9129e00cd7d5fd1f,0,6,41,0,0,6,46,47,-10.603,-3.8089999999999997,1,1.0,0.000166443,-,0.5117,-,0.5117,https://www.genome.jp/dbget-bin/www_bget?dr:D08572
1966,D07537, Bopindolol (INN)," Beta blocking agents, non-selective",C07AA17,CARDIOVASCULAR SYSTEM,O(c1cccc2c1cc([nH]2)C)C[C@H](C[NH2+]C(C)(C)C)OC(=O)c1ccccc1,381.48800000000006,3.4426,113.49700000000001,67.93,32,2,3,UUOJIACWOAYWEZ-SFHVURJKSA-O,C23H29N2O3+,O=C(c1ccccc1)OC(COc1cccc2c1cc([nH]2)C)C[NH2+]C(C)(C)C,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3/p+1/t18-/m0/s1",-5.6905,-5.6604,-4.3501,-4.3163,-4.3065,-2.8746,1.5471,1.5689,1.5747,1.6922,1.7997,D07537_C07AA17,40022400000204c000000600040200002100800000000a0000200080012400001400408880008037288a021800000040000206000200a00004000002000026100c200c02491022010000410006888000008000400410200040080000002100004800000000000c0600400002b010040000060190080710a00808000002000004,0500000070f005,010042010400000000009000000000000001000000008400000000000000000000004640c02204,000000000000010083020ec2199109650c73d3ff1f,0,16,42,1,0,9,57,59,-10.4,-3.9739999999999998,1,1.0,0.008336614000000001,+,1.0857,-,1.0857,https://www.genome.jp/dbget-bin/www_bget?dr:D07537
1967,D01794, Bopindolol malonate (JAN)," Beta blocking agents, non-selective",C07AA17,CARDIOVASCULAR SYSTEM,O(c1cccc2c1cc([nH]2)C)C[C@H](C[NH2+]C(C)(C)C)OC(=O)c1ccccc1,381.48800000000006,3.4426,113.49700000000001,67.93,32,2,3,UUOJIACWOAYWEZ-SFHVURJKSA-O,C23H29N2O3+,O=C(c1ccccc1)OC(COc1cccc2c1cc([nH]2)C)C[NH2+]C(C)(C)C,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3/p+1/t18-/m0/s1",-5.6778,-5.6427,-4.3823,-4.3801,-4.2341,-2.9059,1.6026,1.6042,1.7781,1.784,1.8353,D01794_C07AA17,40022400000204c000000600040200002100800000000a0000200080012400001400408880008037288a021800000040000206000200a00004000002000026100c200c02491022010000410006888000008000400410200040080000002100004800000000000c0600400002b010040000060190080710a00808000002000004,0500000070f005,010042010400000000009000000000000001000000008400000000000000000000004640c02204,000000000000010083020ec2199109650c73d3ff1f,0,16,42,1,0,9,57,59,-10.405999999999999,-3.972,1,-3.0,0.008324662,+,1.0857,-,1.0857,https://www.genome.jp/dbget-bin/www_bget?dr:D01794
1968,D07590, Bupranolol (INN)," Beta blocking agents, non-selective",C07AA19,CARDIOVASCULAR SYSTEM,c1c(OC[C@H](C[NH2+]C(C)(C)C)O)c(ccc1C)Cl,272.791,1.75,77.0112,46.07,25,2,2,HQIRNZOQPUAHHV-NSHDSACASA-O,C14H23ClNO2+,OC(COc1cc(C)ccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3/p+1/t11-/m0/s1",-5.6693,-5.6692,-4.3543,-4.3351,-2.0572,-1.9136,1.5408,1.5656,1.5937,1.6435,1.805,D07590_C07AA19,4002020000000000000006000002000000008000000004000088008001200000100040088000000700010018000000000002020000008802000000020000201008200800010020018000000006008002008800400000200040080000000000000000000000000002000000028010000000064100080110200800004000800004,0100002c50f001,012842010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210082024a42c99409602cd6f0fd1f,0,6,35,0,0,6,41,41,-11.574000000000002,-3.967,1,1.0,0.002036637,-,0.4475,-,0.4475,https://www.genome.jp/dbget-bin/www_bget?dr:D07590
1969,D01454, Bupranolol hydrochloride (JP17)," Beta blocking agents, non-selective",C07AA19,CARDIOVASCULAR SYSTEM,c1c(OC[C@H](C[NH2+]C(C)(C)C)O)c(ccc1C)Cl,272.791,1.75,77.0112,46.07,25,2,2,HQIRNZOQPUAHHV-NSHDSACASA-O,C14H23ClNO2+,OC(COc1cc(C)ccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3/p+1/t11-/m0/s1",-5.6715,-5.6701,-4.3509,-4.3431,-2.0568,-1.9112,1.5524,1.5702,1.5981,1.7185,1.8069,D01454_C07AA19,4002020000000000000006000002000000008000000004000088008001200000100040088000000700010018000000000002020000008802000000020000201008200800010020018000000006008002008800400000200040080000000000000000000000000002000000028010000000064100080110200800004000800004,0100002c50f001,012842010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210082024a42c99409602cd6f0fd1f,0,6,35,0,0,6,41,41,-11.575,-3.967,1,,0.002035794,-,0.4475,-,0.4475,https://www.genome.jp/dbget-bin/www_bget?dr:D01454
1970,D08074, Penbutolol (INN)," Beta blocking agents, non-selective",C07AA23,CARDIOVASCULAR SYSTEM,c1(c(OC[C@H](C[NH2+]C(C)(C)C)O)cccc1)C1CCCC1,292.436,2.4458,89.1152,46.07,32,2,2,KQXKVJAGOJTNJS-HNNXBMFYSA-O,C18H30NO2+,OC(COc1ccccc1C1CCCC1)C[NH2+]C(C)(C)C,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/p+1/t15-/m0/s1",-5.7078,-5.6653,-4.3368,-4.3157,-2.0496,-1.9111,1.5409,1.5557,1.5663,1.5872,1.7917,D08074_C07AA23,400600000000000002400601020300000000800000000000000000c0010000001004400880000007000000180001000001020200002080000080002200002010082008000100200100002000020080004080004000003008400808001008000000020000000000020000008280100000000601000a0110200800000100000004,0100002c50f001,072842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000212082020ac2899029600dd6f4fd1f,0,6,46,0,0,7,51,52,-11.74,-3.9339999999999997,1,0.0,0.000259708,+,0.8757,-,0.8757,https://www.genome.jp/dbget-bin/www_bget?dr:D08074
1971,D00602, Penbutolol sulfate (JP17/USP)," Beta blocking agents, non-selective",C07AA23,CARDIOVASCULAR SYSTEM,c1(c(OC[C@@H](C[NH2+]C(C)(C)C)O)cccc1)C1CCCC1,292.436,2.4458,89.1152,46.07,32,2,2,KQXKVJAGOJTNJS-OAHLLOKOSA-O,C18H30NO2+,OC(COc1ccccc1C1CCCC1)C[NH2+]C(C)(C)C,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/p+1/t15-/m1/s1",-5.715,-5.6708,-4.3475,-4.3359,-2.0578,-1.9281,1.5452,1.5611,1.5743,1.5946,1.7835,D00602_C07AA23,400600000000000002400601020300000000800000000000000000c0010000001004400880000007000000180001000001020200002080000080002200002010082008000100200100002000020080004080004000003008400808001008000000020000000000020000008280100000000601000a0110200800000100000004,0100002c50f001,072842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000212082020ac2899029600dd6f4fd1f,0,6,46,0,0,7,51,52,-11.741,-3.9330000000000003,1,1.0,0.00026015799999999997,+,0.8757,-,0.8757,https://www.genome.jp/dbget-bin/www_bget?dr:D00602
1972,D07183, Cloranolol (INN)," Beta blocking agents, non-selective",C07AA27,CARDIOVASCULAR SYSTEM,c1cc(cc(c1Cl)OC[C@@H](C[NH2+]C(C)(C)C)O)Cl,293.209,2.095,77.0552,46.07,22,2,2,XYCMOTOFHFTUIU-SNVBAGLBSA-O,C13H20Cl2NO2+,OC(C[NH2+]C(C)(C)C)COc1cc(Cl)ccc1Cl,"InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3/p+1/t10-/m1/s1",-5.7072,-5.6691,-4.3399,-4.3369,-2.0568,-1.9111,1.5428,1.5582,1.5644,1.5891,1.7908,D07183_C07AA27,4002020000000000000006000002000000008000000000200088000001200000100000088000000700010018000000000002020000008002000000000000201008200800030020010200000006008002008800400000200040080000000000000000000000000092000000028010000000064100080110200800000000800004,0100002c50f001,012842010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210082024a42c99409602cd6f0fd1f,0,6,32,0,0,6,38,38,-11.777000000000001,-4.045,1,0.0,9.3748e-05,+,0.4722,-,0.4722,https://www.genome.jp/dbget-bin/www_bget?dr:D07183
1973,D05587, Practolol (USAN)," Beta blocking agents, selective",C07AB01,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)NC(=O)C)OC[C@H](C[NH2+]C(C)C)O,267.344,0.4295,76.5029,75.17,27,3,4,DURULFYMVIFBIR-ZDUSSCGKSA-O,C14H23N2O3+,OC(COc1ccc(cc1)NC(=O)C)C[NH2+]C(C)C,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)/p+1/t13-/m0/s1",-5.7049,-5.6771,-4.3545,-4.3448,-3.765,-3.2483,1.5641,1.5659999999999998,1.5782,1.7856,1.9304,D05587_C07AB01,4002000000000000010006000082000080008000000004000000000001000000100000088020002700060018000010400002020000008008000000000000241008200800410020010000100022808000008000400400280040080000000000000800000000000002000000028010000000060100080110200800000002400004,0500002c50f001,0128420104000000000080000a0000000000000000000000000000000000000000000200c02a04,000000000000210080020a4a893019605c76d2ff1f,0,6,35,1,0,8,42,42,-11.81,-4.09,1,0.0,0.000331808,-,0.3233,-,0.3233,https://www.genome.jp/dbget-bin/www_bget?dr:D05587
1974,D02358, Metoprolol (USAN/INN)," Beta blocking agents, selective",C07AB02,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOC)OC[C@H](C[NH2+]C(C)C)O,268.372,0.5870000000000001,77.8552,55.3,29,2,3,IUBSYMUCCVWXPE-AWEZNQCLSA-O,C15H26NO3+,COCCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/p+1/t14-/m0/s1",-5.6798,-5.664,-4.3882,-4.3644,-2.0546,-1.9111,1.5629,1.5824,1.5876,1.7392,1.7922,D02358_C07AB02,400600000000000002000600000200000000800000001200000000800100000010004008800000070000001800000000000202000000800400000002000020180820080001002401000000000200800000800040000020084008080000000000400000000000040200000002c010000000060100080110200800000000000004,0100002c70f001,03a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a5289102d600c56d6fd1f,0,6,39,0,0,9,45,45,-11.407,-4.052,1,,0.0009003460000000001,-,0.3621,-,0.3621,https://www.genome.jp/dbget-bin/www_bget?dr:D02358
1975,D00601, Metoprolol tartrate (JP17/USP)," Beta blocking agents, selective",C07AB02,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOC)OC[C@H](C[NH2+]C(C)C)O,268.372,0.5870000000000001,77.8552,55.3,29,2,3,IUBSYMUCCVWXPE-AWEZNQCLSA-O,C15H26NO3+,COCCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/p+1/t14-/m0/s1",-5.6733,-5.6696,-4.3881,-4.3661,-2.0488,-1.9154,1.5517,1.565,1.5934,1.7575,1.8014,D00601_C07AB02,400600000000000002000600000200000000800000001200000000800100000010004008800000070000001800000000000202000000800400000002000020180820080001002401000000000200800000800040000020084008080000000000400000000000040200000002c010000000060100080110200800000000000004,0100002c70f001,03a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a5289102d600c56d6fd1f,0,6,39,0,0,9,45,45,-11.407,-4.052,1,1.0,0.000900694,-,0.3621,-,0.3621,https://www.genome.jp/dbget-bin/www_bget?dr:D00601
1976,D00635, Metoprolol succinate (USP)," Beta blocking agents, selective",C07AB02,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOC)OC[C@H](C[NH2+]C(C)C)O,268.372,0.5870000000000001,77.8552,55.3,29,2,3,IUBSYMUCCVWXPE-AWEZNQCLSA-O,C15H26NO3+,COCCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/p+1/t14-/m0/s1",-5.6743,-5.6668,-4.4007,-4.3715,-2.0468,-1.9138,1.5622,1.5755,1.6013,1.7845,1.8029,D00635_C07AB02,400600000000000002000600000200000000800000001200000000800100000010004008800000070000001800000000000202000000800400000002000020180820080001002401000000000200800000800040000020084008080000000000400000000000040200000002c010000000060100080110200800000000000004,0100002c70f001,03a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a5289102d600c56d6fd1f,0,6,39,0,0,9,45,45,-11.412,-4.052,1,0.0,0.000900823,-,0.3621,-,0.3621,https://www.genome.jp/dbget-bin/www_bget?dr:D00635
1977,D05011, Metoprolol fumarate (USP)," Beta blocking agents, selective",C07AB02,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOC)OC[C@H](C[NH2+]C(C)C)O,268.372,0.5870000000000001,77.8552,55.3,29,2,3,IUBSYMUCCVWXPE-AWEZNQCLSA-O,C15H26NO3+,COCCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/p+1/t14-/m0/s1",-5.6767,-5.6758,-4.3754,-4.3597,-2.0615,-1.9382,1.5565,1.5809,1.5938,1.6927,1.8003,D05011_C07AB02,400600000000000002000600000200000000800000001200000000800100000010004008800000070000001800000000000202000000800400000002000020180820080001002401000000000200800000800040000020084008080000000000400000000000040200000002c010000000060100080110200800000000000004,0100002c70f001,03a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a5289102d600c56d6fd1f,0,6,39,0,0,9,45,45,-11.409,-4.053,1,1.0,0.0009009,-,0.3621,-,0.3621,https://www.genome.jp/dbget-bin/www_bget?dr:D05011
1978,D00235, Atenolol (JP17/USP/INN)," Beta blocking agents, selective",C07AB03,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CC(=O)N)OC[C@H](C[NH2+]C(C)C)O,267.344,0.1262,74.8706,89.16,27,3,4,METKIMKYRPQLGS-LBPRGKRZSA-O,C14H23N2O3+,OC(C[NH2+]C(C)C)COc1ccc(cc1)CC(=O)N,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/p+1/t12-/m0/s1",-5.7048,-5.6739,-4.7903,-4.3576,-4.3397,-4.1742,1.5539,1.5574,1.5919,1.7838,2.9564,D00235_C07AB03,4006000000200000020006000002000400008000000012000000008001000000100040898000000700060018000000000002020000008000000000020000201008200800010020410000000002808001009000400000200840080800000000000000000000000402000000028010000000060100080110200800000000000004,0500002c50f001,032842010400000000008000060000000000000000000000000000000000000000000200c02a04,000000000000210080020a4a897019600c66d2ff1f,0,6,35,1,0,8,42,42,-11.439,-4.011,1,1.0,0.000584611,-,0.3274,-,0.3274,https://www.genome.jp/dbget-bin/www_bget?dr:D00235
1979,D02338, Acebutolol (USAN/INN)," Beta blocking agents, selective",C07AB04,CARDIOVASCULAR SYSTEM,c1(c(cc(cc1)NC(=O)CCC)C(=O)C)OC[C@@H](C[NH2+]C(C)C)O,337.434,1.4123,96.3114,92.24,34,3,5,GOEMGAFJFRBGGG-OAHLLOKOSA-O,C18H29N2O4+,CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)C)O,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/p+1/t15-/m1/s1",-5.7059,-5.6658,-4.3686,-4.3347,-3.8396,-3.2193,1.5651,1.5853,1.7849,1.7903,1.9342,D02338_C07AB04,400600000000008003000600008340208000801000080400000000c0010004001400400880200027000602180000104401020200000080080080002200002410082008104100220100001000228080042090004004002808d0080800100040000802000000000002002002828010002400060100080110600808000002400004,1500002c50f001,0328420104000100000080000a0000004001000000000000000000000000000000000240c02a05,000000000000210080020a4b89703f60dcfef6ff1f,0,6,45,2,0,11,53,53,-11.78,-3.984,1,1.0,0.001613919,-,0.6599,-,0.6599,https://www.genome.jp/dbget-bin/www_bget?dr:D02338
1980,D00597, Acebutolol hydrochloride (JP17/USP)," Beta blocking agents, selective",C07AB04,CARDIOVASCULAR SYSTEM,c1(c(cc(cc1)NC(=O)CCC)C(=O)C)OC[C@@H](C[NH2+]C(C)C)O,337.434,1.4123,96.3114,92.24,34,3,5,GOEMGAFJFRBGGG-OAHLLOKOSA-O,C18H29N2O4+,CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)C)O,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/p+1/t15-/m1/s1",-5.6727,-5.6662,-4.409,-4.3858,-3.853,-3.2349,1.5823,1.8296,1.8566,1.9477,2.373,D00597_C07AB04,400600000000008003000600008340208000801000080400000000c0010004001400400880200027000602180000104401020200000080080080002200002410082008104100220100001000228080042090004004002808d0080800100040000802000000000002002002828010002400060100080110600808000002400004,1500002c50f001,0328420104000100000080000a0000004001000000000000000000000000000000000240c02a05,000000000000210080020a4b89703f60dcfef6ff1f,0,6,45,2,0,11,53,53,-11.78,-3.984,1,0.0,0.0016139420000000002,-,0.6599,-,0.6599,https://www.genome.jp/dbget-bin/www_bget?dr:D00597
1981,D07526, Betaxolol (INN)," Beta blocking agents, selective",C07AB05,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOCC1CC1)OC[C@H](C[NH2+]C(C)C)O,308.436,1.3672,90.1622,55.3,33,2,3,NWIUTZDMDHAVTP-KRWDZBQOSA-O,C18H30NO3+,OC(COc1ccc(cc1)CCOCC1CC1)C[NH2+]C(C)C,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1",-5.7108,-5.6675,-4.3772,-4.3659,-2.1207,-2.0551,1.5507,1.5544,1.5596,1.6029,1.7855,D07526_C07AB05,400600000000000002000600000200000000800000001200000000800104000010004008800000070000001820000100010202000000c00400000002000020180830080001002401000000010200800000800040000020084008080000000000400000000000040200000002c010000000070100080110200800000040000004,0100002c70f001,07a842010400000000000000000000000000000000000000000000000000000000000200c02204,000020000000210080022a42891029e00d46d6fd1f,0,6,47,0,0,11,52,53,-11.392000000000001,-4.047,1,1.0,0.005067647,+,0.8358,-,0.8358,https://www.genome.jp/dbget-bin/www_bget?dr:D07526
1982,D07526, Betaxolol (INN), Beta blocking agents,S01ED02,SENSORY ORGANS,c1(ccc(cc1)CCOCC1CC1)OC[C@H](C[NH2+]C(C)C)O,308.436,1.3672,90.1622,55.3,33,2,3,NWIUTZDMDHAVTP-KRWDZBQOSA-O,C18H30NO3+,OC(COc1ccc(cc1)CCOCC1CC1)C[NH2+]C(C)C,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1",-5.6772,-5.67,-4.39,-4.3618,-2.1226,-2.061,1.5583,1.5798,1.5886,1.7848,1.8022,D07526_S01ED02,400600000000000002000600000200000000800000001200000000800104000010004008800000070000001820000100010202000000c00400000002000020180830080001002401000000010200800000800040000020084008080000000000400000000000040200000002c010000000070100080110200800000040000004,0100002c70f001,07a842010400000000000000000000000000000000000000000000000000000000000200c02204,000020000000210080022a42891029e00d46d6fd1f,0,6,47,0,0,11,52,53,-11.392000000000001,-4.047,1,1.0,0.005067647,+,0.8358,-,0.8358,https://www.genome.jp/dbget-bin/www_bget?dr:D07526
1983,D00598, Betaxolol hydrochloride (JP17/USP)," Beta blocking agents, selective",C07AB05,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCOCC1CC1)OC[C@H](C[NH2+]C(C)C)O,308.436,1.3672,90.1622,55.3,33,2,3,NWIUTZDMDHAVTP-KRWDZBQOSA-O,C18H30NO3+,OC(COc1ccc(cc1)CCOCC1CC1)C[NH2+]C(C)C,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1",-5.7107,-5.6701,-4.3418,-4.31,-2.1168,-2.0414,1.5485,1.55,1.5579,1.5807,1.7845,D00598_C07AB05,400600000000000002000600000200000000800000001200000000800104000010004008800000070000001820000100010202000000c00400000002000020180830080001002401000000010200800000800040000020084008080000000000400000000000040200000002c010000000070100080110200800000040000004,0100002c70f001,07a842010400000000000000000000000000000000000000000000000000000000000200c02204,000020000000210080022a42891029e00d46d6fd1f,0,6,47,0,0,11,52,53,-11.397,-4.046,1,,0.005067792,+,0.8358,-,0.8358,https://www.genome.jp/dbget-bin/www_bget?dr:D00598
1984,D00598, Betaxolol hydrochloride (JP17/USP), Beta blocking agents,S01ED02,SENSORY ORGANS,c1(ccc(cc1)CCOCC1CC1)OC[C@H](C[NH2+]C(C)C)O,308.436,1.3672,90.1622,55.3,33,2,3,NWIUTZDMDHAVTP-KRWDZBQOSA-O,C18H30NO3+,OC(COc1ccc(cc1)CCOCC1CC1)C[NH2+]C(C)C,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1",-5.6786,-5.6737,-4.4072,-4.3608,-2.1229,-2.056,1.5715,1.5816,1.5839,1.8019999999999998,1.8031,D00598_S01ED02,400600000000000002000600000200000000800000001200000000800104000010004008800000070000001820000100010202000000c00400000002000020180830080001002401000000010200800000800040000020084008080000000000400000000000040200000002c010000000070100080110200800000040000004,0100002c70f001,07a842010400000000000000000000000000000000000000000000000000000000000200c02204,000020000000210080022a42891029e00d46d6fd1f,0,6,47,0,0,11,52,53,-11.397,-4.046,1,,0.005067792,+,0.8358,-,0.8358,https://www.genome.jp/dbget-bin/www_bget?dr:D00598
1985,D01369, Bevantolol hydrochloride (JAN/USAN)," Beta blocking agents, selective",C07AB06,CARDIOVASCULAR SYSTEM,c1(cccc(c1)OC[C@H](C[NH2+]CCc1ccc(c(c1)OC)OC)O)C,346.441,1.558,99.8202,64.53,32,2,4,HXLAFSUPPDYFEO-KRWDZBQOSA-O,C20H28NO4+,COc1cc(ccc1OC)CC[NH2+]CC(COc1cccc(c1)C)O,"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3/p+1/t17-/m0/s1",-5.6747,-5.667000000000001,-4.4117,-4.3644,-2.0706,-2.0615,1.5554,1.5795,1.5949,1.7478,1.7879,D01369_C07AB06,40260000000000000a0006000002000400008000000012000000008001000000100040898000000700002018000000000002020000008800000000020000201008a00800010028018000002002408000008000400000200840080800800000000000000000000402000000828010000000060100080110200800004200000004,0100002c50f001,032842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080002a56895021e00ddef7f51f,0,12,42,0,0,10,53,54,-11.575,-4.023,1,1.0,0.009271732,+,0.6784,-,0.6784,https://www.genome.jp/dbget-bin/www_bget?dr:D01369
1986,D02342, Bisoprolol (JAN/USAN/INN)," Beta blocking agents, selective",C07AB07,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)COCCOC(C)C)OC[C@H](C[NH2+]C(C)C)O,326.45099999999996,1.3397,93.3612,64.53,36,2,4,VHYCDWMUTMEGQY-KRWDZBQOSA-O,C18H32NO4+,CC(OCCOCc1ccc(cc1)OCC(C[NH2+]C(C)C)O)C,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/p+1/t17-/m0/s1",-5.6731,-5.6717,-4.38,-4.3697,-2.3837,-2.0562,1.5546,1.569,1.6006,1.7014,1.7977,D02342_C07AB07,400200000000004000000600000200002000800000004a000020008001040000100040088000000720000018000000000002020000008000000000020000201008200802010020010000010002008000008000400000200040080000002100004000000000000402004000029010000000060100080110a00800000000000004,0100002c70f001,01a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a42891829600d5ed6fd1f,0,6,49,0,0,12,55,55,-11.735,-4.0089999999999995,1,,0.002076844,-,0.7475,-,0.7475,https://www.genome.jp/dbget-bin/www_bget?dr:D02342
1987,D00634, Bisoprolol fumarate (JP17/USP)," Beta blocking agents, selective",C07AB07,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)COCCOC(C)C)OC[C@H](C[NH2+]C(C)C)O,326.45099999999996,1.3397,93.3612,64.53,36,2,4,VHYCDWMUTMEGQY-KRWDZBQOSA-O,C18H32NO4+,CC(OCCOCc1ccc(cc1)OCC(C[NH2+]C(C)C)O)C,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/p+1/t17-/m0/s1",-5.7081,-5.6770000000000005,-4.3378,-4.2916,-2.3801,-2.0475,1.5396,1.5492,1.5626,1.5715,1.7864,D00634_C07AB07,400200000000004000000600000200002000800000004a000020008001040000100040088000000720000018000000000002020000008000000000020000201008200802010020010000010002008000008000400000200040080000002100004000000000000402004000029010000000060100080110a00800000000000004,0100002c70f001,01a842010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210080022a42891829600d5ed6fd1f,0,6,49,0,0,12,55,55,-11.734000000000002,-4.008,1,2.0,0.002074293,-,0.7475,-,0.7475,https://www.genome.jp/dbget-bin/www_bget?dr:D00634
1988,D07660, Celiprolol (INN)," Beta blocking agents, selective",C07AB08,CARDIOVASCULAR SYSTEM,c1(c(C(=O)C)cc(cc1)NC(=O)N(CC)CC)OC[C@H](C[NH2+]C(C)(C)C)O,380.50199999999995,1.9375,109.24799999999999,95.48,40,3,6,JOATXPAWOHTVSZ-INIZCTEOSA-O,C20H34N3O4+,CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)(C)C)O)CC,"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)/p+1/t16-/m0/s1",-5.712999999999999,-5.6711,-4.7338,-4.5969,-4.3369,-4.3227,1.7833,1.7912,1.9457,2.2086,2.3947,D07660_C07AB08,404600000000008003000600008340208000800000080400000000c0010014001c00400880200227000603180001004400020200000080080080402200002410082008104100200100001008228080002080004004002808500808001000400009220000040000020000028280100004000e0100080110200808000006000004,1500002c50f041,012842010400010000000000000000004041040000000000000000000000000000000240c02a05,000000001000210082123a4389b21b62dcfefaff1f,0,6,53,2,0,12,61,61,-11.257,-3.945,1,0.0,0.002156043,-,1.064,-,1.064,https://www.genome.jp/dbget-bin/www_bget?dr:D07660
1989,D01741, Celiprolol hydrochloride (JAN/USAN)," Beta blocking agents, selective",C07AB08,CARDIOVASCULAR SYSTEM,c1(c(C(=O)C)cc(cc1)NC(=O)N(CC)CC)OC[C@H](C[NH2+]C(C)(C)C)O,380.50199999999995,1.9375,109.24799999999999,95.48,40,3,6,JOATXPAWOHTVSZ-INIZCTEOSA-O,C20H34N3O4+,CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)(C)C)O)CC,"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)/p+1/t16-/m0/s1",-5.7093,-5.667999999999999,-4.6882,-4.6496,-4.3189,-4.3139,1.7859,1.8012,1.9591,2.2101,2.3768,D01741_C07AB08,404600000000008003000600008340208000800000080400000000c0010014001c00400880200227000603180001004400020200000080080080402200002410082008104100200100001008228080002080004004002808500808001000400009220000040000020000028280100004000e0100080110200808000006000004,1500002c50f041,012842010400010000000000000000004041040000000000000000000000000000000240c02a05,000000001000210082123a4389b21b62dcfefaff1f,0,6,53,2,0,12,61,61,-11.284,-3.9360000000000004,1,1.0,0.002156074,-,1.064,-,1.064,https://www.genome.jp/dbget-bin/www_bget?dr:D01741
1990,D07916, Esmolol (INN)," Beta blocking agents, selective",C07AB09,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCC(=O)OC)OC[C@H](C[NH2+]C(C)C)O,296.382,0.5037,82.8622,72.37,30,2,4,AQNDDEOPVVGCPG-AWEZNQCLSA-O,C16H26NO4+,COC(=O)CCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/p+1/t14-/m0/s1",-5.675,-5.6714,-4.4649,-4.3808,-4.3661,-2.9879,1.5513,1.5714,1.5959999999999999,1.6867,1.7962,D07916_C07AB09,400600000000000002000600000200000000800000001200000000800108000010004008c0000007000a001800010000010202000800c000000000020000221008200800010020010000000002808004009000400000300840080800000800000000000000000402000000028010000000070100080110200800000000000004,0500002c70f005,032842010400000000009000000000000000000000000000000000000000000000000200c02a05,000000000000210080020a52891829640c5ed6ff1f,0,6,40,1,0,10,47,47,-11.472999999999999,-4.063,1,0.0,0.001021987,-,0.4259,-,0.4259,https://www.genome.jp/dbget-bin/www_bget?dr:D07916
1991,D00644, Esmolol hydrochloride (JAN/USAN)," Beta blocking agents, selective",C07AB09,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CCC(=O)OC)OC[C@H](C[NH2+]C(C)C)O,296.382,0.5037,82.8622,72.37,30,2,4,AQNDDEOPVVGCPG-AWEZNQCLSA-O,C16H26NO4+,COC(=O)CCc1ccc(cc1)OCC(C[NH2+]C(C)C)O,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/p+1/t14-/m0/s1",-5.6734,-5.6721,-4.4696,-4.3875,-4.3697,-2.9825,1.5502,1.5727,1.5954,1.6599,1.7945,D00644_C07AB09,400600000000000002000600000200000000800000001200000000800108000010004008c0000007000a001800010000010202000800c000000000020000221008200800010020010000000002808004009000400000300840080800000800000000000000000402000000028010000000070100080110200800000000000004,0500002c70f005,032842010400000000009000000000000000000000000000000000000000000000000200c02a05,000000000000210080020a52891829640c5ed6ff1f,0,6,40,1,0,10,47,47,-11.47,-4.063,1,1.0,0.0010218410000000001,-,0.4259,-,0.4259,https://www.genome.jp/dbget-bin/www_bget?dr:D00644
1992,D06646, Epanolol (USAN/INN)," Beta blocking agents, selective",C07AB10,CARDIOVASCULAR SYSTEM,c1cc(c(cc1)C#N)OC[C@H](C[NH2+]CCNC(=O)Cc1ccc(cc1)O)O,370.42199999999997,0.31678,101.22399999999999,119.19,30,4,6,YARKMNAWFIMDKV-SFHVURJKSA-O,C20H24N3O4+,N#Cc1ccccc1OCC(C[NH2+]CCNC(=O)Cc1ccc(cc1)O)O,"InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)/p+1/t18-/m0/s1",-5.6892,-5.6567,-4.394,-4.3587,-4.3377,-3.8227,1.5928,1.7609,2.6317,2.9398,3.0382,D06646_C07AB10,4006000000200000230406000003000c000080000000120000000080010000001800408b810400070006203800000040000202000000800000800022000060100820080001003041002000000280800100900040000020084008880090000000080000000000000200000002a010000000060104080110200820000004000004,0500002c52f011,0228420104000000000080000a0000001000000000010000000000000000000000000280c02a04,000000000001210080402a4e897031e00deee77f1f,0,12,38,1,1,11,51,52,-12.17,-4.477,1,1.0,0.00137193,-,0.5686,-,0.5686,https://www.genome.jp/dbget-bin/www_bget?dr:D06646
1993,D01471, Esatenolol (JAN/INN)," Beta blocking agents, selective",C07AB11,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)CC(=O)N)OC[C@H](C[NH2+]C(C)C)O,267.344,0.1262,74.8706,89.16,27,3,4,METKIMKYRPQLGS-LBPRGKRZSA-O,C14H23N2O3+,OC(C[NH2+]C(C)C)COc1ccc(cc1)CC(=O)N,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/p+1/t12-/m0/s1",-5.6787,-5.67,-4.8414,-4.3704,-4.3535,-4.2075,1.5673,1.5864,1.6886,1.8052,2.9498,D01471_C07AB11,4006000000200000020006000002000400008000000012000000008001000000100040898000000700060018000000000002020000008000000000020000201008200800010020410000000002808001009000400000200840080800000000000000000000000402000000028010000000060100080110200800000000000004,0500002c50f001,032842010400000000008000060000000000000000000000000000000000000000000200c02a04,000000000000210080020a4a897019600c66d2ff1f,0,6,35,1,0,8,42,42,-11.44,-4.012,1,3.0,0.0005845690000000001,-,0.3274,-,0.3274,https://www.genome.jp/dbget-bin/www_bget?dr:D01471
1994,D05127, Nebivolol (USAN/INN)," Beta blocking agents, selective",C07AB12,CARDIOVASCULAR SYSTEM,c1c(cc2c(c1)O[C@H](CC2)[C@H](C[NH2+]C[C@H]([C@@H]1CCc2c(O1)ccc(c2)F)O)O)F,406.44300000000004,1.3374,104.59899999999999,75.53,30,3,4,KOHIRBRYDXPAMZ-MTIDIVMFSA-O,C22H26F2NO4+,OC(C1CCc2c(O1)ccc(c2)F)C[NH2+]CC(C1CCc2c(O1)ccc(c2)F)O,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/p+1/t17-,18+,21+,22-",-5.6799,-5.6642,-4.393,-4.3802,-2.0702,-2.0529,1.5729,1.6013,1.8039,1.8039,3.1493,D05127_C07AB12,402600000000000002c00600020310000100801000000080000000c00100000010005008c01000071000001800010000010242000020c0000080002200002010082008000100281100102000020080004080015000003008c02808001008000000020020000000021000008280100800000701020a0110201800000100000004,0100002c50f001,022842010400000000000000000000000000000000080000000000000000000000004600c02204,000000000002210180006a469b05a1802d8fc7751f,2,12,46,0,0,6,55,58,-11.354000000000001,-4.377,4,0.0,0.061275967,-,1.3527,-,1.3527,https://www.genome.jp/dbget-bin/www_bget?dr:D05127
1995,D06622, Nebivolol hydrochloride (USAN)," Beta blocking agents, selective",C07AB12,CARDIOVASCULAR SYSTEM,c1c(cc2c(c1)O[C@H](CC2)[C@H](C[NH2+]C[C@@H]([C@@H]1CCc2c(O1)ccc(c2)F)O)O)F,406.44300000000004,1.3374,104.59899999999999,75.53,30,3,4,KOHIRBRYDXPAMZ-YHDSQAASSA-O,C22H26F2NO4+,OC(C1CCc2c(O1)ccc(c2)F)C[NH2+]CC(C1CCc2c(O1)ccc(c2)F)O,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/p+1/t17-,18-,21-,22+/m0/s1",-5.6955,-5.65,-4.3868,-4.3749,-2.0542,-2.0511,1.5803,1.5919,1.8009,1.8382,3.1243,D06622_C07AB12,402600000000000002c00600020310000100801000000080000000c00100000010005008c01000071000001800010000010242000020c0000080002200002010082008000100281100102000020080004080015000003008c02808001008000000020020000000021000008280100800000701020a0110201800000100000004,0100002c50f001,022842010400000000000000000000000000000000080000000000000000000000004600c02204,000000000002210180006a469b05a1802d8fc7751f,2,12,46,0,0,6,55,58,-11.495999999999999,-4.249,4,-1.0,0.070833087,-,1.3527,-,1.3527,https://www.genome.jp/dbget-bin/www_bget?dr:D06622
1996,D07184, Talinolol (INN)," Beta blocking agents, selective",C07AB13,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC[C@@H](C[NH2+]C(C)(C)C)O)NC(=O)NC1CCCCC1,364.50199999999995,2.7063,106.46,87.2,39,4,5,MXFWWQICDIZSOA-QGZVFWFLSA-O,C20H34N3O3+,O=C(Nc1ccc(cc1)OCC(C[NH2+]C(C)(C)C)O)NC1CCCCC1,"InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/p+1/t17-/m1/s1",-5.7096,-5.6663,-5.2707,-4.6565,-4.3551,-4.3406,1.8021,1.8088,1.9393,2.526,2.6366,D07184_C07AB13,404200000000080001000600008200008000801000000400000000000100110018001008802002271004051800010040010202000020800a0000400000002410082008004100200100001000229080000080014004002800c00800000000000009200000040000020000000280100000000e0100080110200810000106000004,0100002c50f041,032842010400000000000000000000000040040000000000000000000000000000000200c02a04,000000001004210082120a4689f239e05d76d7ff1f,0,6,54,1,0,10,60,61,-10.824000000000002,-3.938,1,1.0,0.012462065,-,1.2208,-,1.2208,https://www.genome.jp/dbget-bin/www_bget?dr:D07184
1997,D08106, Labetalol (INN), Alpha and beta blocking agents,C07AG01,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)[C@H](C[NH2+][C@H](CCc1ccccc1)C)O)O)C(=O)N,329.413,1.8095,95.2691,100.16,29,4,4,SGUAFYQXFOLMHL-UGSOOPFHSA-O,C19H25N2O3+,OC(c1ccc(c(c1)C(=O)N)O)C[NH2+]C(CCc1ccccc1)C,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/p+1/t13-,18-/m0/s1",-5.7527,-5.6753,-4.5761,-4.3885,-4.3538,-4.2017,1.6583,1.7775,1.9714,2.2077,2.8879,D08106_C07AG01,00260000000004c00a0006000000000400000010000052080000008000000000140040810000000220862218000100000102024000040000000000020000001008200c080000080000002000028800000080004000003048c00a080080090000001400200000000200400200811000000006010002011020080a000100000000,0500002c02f001,03284001040000000000800006000000c001000000010000000000000000000000000240c03a04,000000000000310000000a4b89603dc00de4e7ff1f,0,12,37,1,0,8,49,50,-12.242,-3.859,2,-2.0,0.006407751,-,0.7,-,0.7,https://www.genome.jp/dbget-bin/www_bget?dr:D08106
1998,D00600, Labetalol hydrochloride (JP17/USP), Alpha and beta blocking agents,C07AG01,CARDIOVASCULAR SYSTEM,c1(c(ccc(c1)[C@H](C[NH2+][C@H](CCc1ccccc1)C)O)O)C(=O)N,329.413,1.8095,95.2691,100.16,29,4,4,SGUAFYQXFOLMHL-UGSOOPFHSA-O,C19H25N2O3+,OC(c1ccc(c(c1)C(=O)N)O)C[NH2+]C(CCc1ccccc1)C,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/p+1/t13-,18-/m0/s1",-5.7207,-5.6770000000000005,-4.5612,-4.3728,-4.3272,-4.2116,1.5794,1.7776,1.9869999999999999,2.2212,2.9045,D00600_C07AG01,00260000000004c00a0006000000000400000010000052080000008000000000140040810000000220862218000100000102024000040000000000020000001008200c080000080000002000028800000080004000003048c00a080080090000001400200000000200400200811000000006010002011020080a000100000000,0500002c02f001,03284001040000000000800006000000c001000000010000000000000000000000000240c03a04,000000000000310000000a4b89603dc00de4e7ff1f,0,12,37,1,0,8,49,50,-12.244000000000002,-3.859,2,,0.006409026999999999,-,0.7,-,0.7,https://www.genome.jp/dbget-bin/www_bget?dr:D00600
1999,D00255, Carvedilol (JAN/USAN/INN), Alpha and beta blocking agents,C07AG02,CARDIOVASCULAR SYSTEM,c12c3c([nH]c1cccc2OC[C@H](C[NH2+]CCOc1c(cccc1)OC)O)cccc3,407.48199999999997,2.7118,119.251,80.32,31,3,4,OGHNVEJMJSYVRP-KRWDZBQOSA-O,C24H27N2O4+,COc1ccccc1OCC[NH2+]CC(COc1cccc2c1c1ccccc1[nH]2)O,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/p+1/t17-/m0/s1",-5.6834,-5.6769,-4.3734,-4.3577,-2.0511,-1.9096,1.5426,1.5712,1.5917,1.666,1.7857,D00255_C07AG02,c00220000002040008000600000200000100800000000000000000000120000010000088800080370880041800000040000206000000a00004000000000020100ca00c02411028010000400006488000008000400400200040080000000000000800000000000806000000028010040002062100080110200800000002200004,0100002c50f001,002842010400000000000000000000000000000000008400000000000000000000004600c02204,000000000000210081002ed6995121e10defe7fd1f,0,21,39,0,0,10,57,60,-10.804,-4.103,1,,0.082217656,+,1.1868,-,1.1868,https://www.genome.jp/dbget-bin/www_bget?dr:D00255
2000,D03415, Carvedilol phosphate (USAN), Alpha and beta blocking agents,C07AG02,CARDIOVASCULAR SYSTEM,c12c3c([nH]c1cccc2OC[C@H](C[NH2+]CCOc1c(cccc1)OC)O)cccc3,407.48199999999997,2.7118,119.251,80.32,31,3,4,OGHNVEJMJSYVRP-KRWDZBQOSA-O,C24H27N2O4+,COc1ccccc1OCC[NH2+]CC(COc1cccc2c1c1ccccc1[nH]2)O,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/p+1/t17-/m0/s1",-5.6901,-5.6643,-4.3802,-4.3763,-2.0453,-1.9125,1.568,1.5875,1.5946,1.7755,1.7829,D03415_C07AG02,c00220000002040008000600000200000100800000000000000000000120000010000088800080370880041800000040000206000000a00004000000000020100ca00c02411028010000400006488000008000400400200040080000000000000800000000000806000000028010040002062100080110200800000002200004,0100002c50f001,002842010400000000000000000000000000000000008400000000000000000000004600c02204,000000000000210081002ed6995121e10defe7fd1f,0,21,39,0,0,10,57,60,-10.804,-4.102,1,0.0,0.08207189999999999,+,1.1868,-,1.1868,https://www.genome.jp/dbget-bin/www_bget?dr:D03415
2001,D07450, Amlodipine (USAN/INN), Dihydropyridine derivatives,C08CA01,CARDIOVASCULAR SYSTEM,[C@@H]1(C(=C(NC(=C1C(=O)OC)C)COCC[NH3+])C(=O)OCC)c1c(cccc1)Cl,409.884,1.8783,110.184,101.5,32,2,6,HTIQEAQVCYTUBX-QGZVFWFLSA-O,C20H26ClN2O5+,CCOC(=O)C1=C(COCC[NH3+])NC(=C(C1c1ccccc1Cl)C(=O)OC)C,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/p+1/t17-/m1/s1",-5.3884,-5.3797,-5.3429,-4.8041,-4.7410000000000005,-4.15,1.6677,1.7409999999999999,1.7445,1.776,2.0355,D07450_C08CA01,10060240000000040202068000021000010104800000400000560080003c80a49008400040806013000b000821070000016800061800432000001003000083100a110910081000000000000226a1020e81d800400000304a40089b00000c0801000400082100000200089000c000080080070380000100200900008102804100,0500000030f005,0580c0010400000000089000000000004003000000040000000000000000000000000640c07a04,000000000010032000086254cf5c2225adbb77ff1f,0,6,45,4,0,10,54,55,-10.8,-4.562,1,1.0,0.013383961000000002,+,1.6291,-,1.6291,https://www.genome.jp/dbget-bin/www_bget?dr:D07450
2002,D00615, Amlodipine besylate (USAN), Dihydropyridine derivatives,C08CA01,CARDIOVASCULAR SYSTEM,[C@@H]1(C(=C(NC(=C1C(=O)OC)C)COCC[NH3+])C(=O)OCC)c1c(cccc1)Cl,409.884,1.8783,110.184,101.5,32,2,6,HTIQEAQVCYTUBX-QGZVFWFLSA-O,C20H26ClN2O5+,CCOC(=O)C1=C(COCC[NH3+])NC(=C(C1c1ccccc1Cl)C(=O)OC)C,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/p+1/t17-/m1/s1",-5.3811,-5.3791,-5.3511,-4.7399,-4.7364,-4.1522,1.6440000000000001,1.6492,1.7464,1.7498,1.7626,D00615_C08CA01,10060240000000040202068000021000010104800000400000560080003c80a49008400040806013000b000821070000016800061800432000001003000083100a110910081000000000000226a1020e81d800400000304a40089b00000c0801000400082100000200089000c000080080070380000100200900008102804100,0500000030f005,0580c0010400000000089000000000004003000000040000000000000000000000000640c07a04,000000000010032000086254cf5c2225adbb77ff1f,0,6,45,4,0,10,54,55,-10.802999999999999,-4.561,1,1.0,0.013387935,+,1.6291,-,1.6291,https://www.genome.jp/dbget-bin/www_bget?dr:D00615
2003,D02914, Amlodipine maleate (USAN), Dihydropyridine derivatives,C08CA01,CARDIOVASCULAR SYSTEM,[C@@H]1(C(=C(NC(=C1C(=O)OC)C)COCC[NH3+])C(=O)OCC)c1c(cccc1)Cl,409.884,1.8783,110.184,101.5,32,2,6,HTIQEAQVCYTUBX-QGZVFWFLSA-O,C20H26ClN2O5+,CCOC(=O)C1=C(COCC[NH3+])NC(=C(C1c1ccccc1Cl)C(=O)OC)C,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/p+1/t17-/m1/s1",-5.3796,-5.3791,-5.3691,-4.789,-4.7427,-4.1428,1.6813,1.7516,1.7518,1.7595,1.8461,D02914_C08CA01,10060240000000040202068000021000010104800000400000560080003c80a49008400040806013000b000821070000016800061800432000001003000083100a110910081000000000000226a1020e81d800400000304a40089b00000c0801000400082100000200089000c000080080070380000100200900008102804100,0500000030f005,0580c0010400000000089000000000004003000000040000000000000000000000000640c07a04,000000000010032000086254cf5c2225adbb77ff1f,0,6,45,4,0,10,54,55,-10.802999999999999,-4.562,1,,0.013389636000000002,+,1.6291,-,1.6291,https://www.genome.jp/dbget-bin/www_bget?dr:D02914
2004,D00319, Felodipine (JAN/USP/INN), Dihydropyridine derivatives,C08CA02,CARDIOVASCULAR SYSTEM,[C@@H]1(c2c(c(ccc2)Cl)Cl)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OCC,384.254,4.2931,100.53,64.63,24,1,5,RZTAMFZIAATZDJ-HNNXBMFYSA-N,C18H19Cl2NO4,CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15-/m0/s1",-4.7296,-4.7232,-3.3942,-3.2328,-3.2323,-1.6236,1.2164,1.4009,1.5466,1.5467,1.6437,D00319_C08CA02,10060240000000040202068000021000010104800000400000021080003c80849008440040806011000b000821050040016800061800432000001003000083000a110910000000800000000226a0020e809800400000304a40089b00000c08010004000021000006000090004000080000070380000100200900008502804100,0400000030b005,050040010000000000089000000000004003000000040000000000000000000000000640407804,00000000001002200008401047140225a09973ff1f,0,6,35,4,0,6,44,45,-8.875,-0.121,1,1.0,0.916838527,+,1.4057,-,1.4057,https://www.genome.jp/dbget-bin/www_bget?dr:D00319
2005,D00349, Isradipine (USP/INN), Dihydropyridine derivatives,C08CA03,CARDIOVASCULAR SYSTEM,[C@@H]1(C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC(C)C)c1cccc2c1non2,371.38699999999994,2.911,100.679,103.55,28,1,8,HMJIYCCIJYRONP-MRXNPFEDSA-N,C19H21N3O5,COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C,"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m1/s1",-4.7369,-4.7326,-3.3933,-3.227,-3.2215,-1.6238,1.2056,1.4081,1.5425,1.5481,1.6355,D00349_C08CA03,70060040000000040282068000021000430104804000408000000080013c80849008400040908011000a000821010001016810061800632080001003000083000c110d1000200000001040022280030c009000c00000304a40289b00800c0401000c0000212000021000900040000c021007838200011030090000a10200c900,0400000030b005,05004001000000000008900000000000400300000000b000000000000000000000004640407804,0000000000100221415a04b03701802d8239f3fa1f,0,10,36,4,0,6,48,50,-9.094,-1.3219999999999998,1,1.0,0.50870949,+,2.8948,-,2.8948,https://www.genome.jp/dbget-bin/www_bget?dr:D00349
2006,D08270, Nicardipine (INN), Dihydropyridine derivatives,C08CA04,CARDIOVASCULAR SYSTEM,[C@H]1(c2cc(ccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OCC[N@@H+](Cc1ccccc1)C,481.541,3.0041,136.006,118.73,38,3,5,YGWIQHSTKXRMQX-XMMPIXPASA-O,C26H31N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OCC[NH+](Cc1ccccc1)C)C,"InChI=1S/C26H30N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3,(H,32,33)/p+1/t24-/m1/s1",-6.0508,-5.8695,-5.3006,-4.792,-4.7342,-4.6238,1.8369,1.8442,1.8865,2.0524,2.0541,D08270_C08CA04,100600440000040402020680000350000121048000004000000000c0003c8494900c400040800033008a000821010240016800061800432000001003000087101811091048151020000800022288030c009000400400b04e60089b00000c4015001400022100000200009000c00008000007038001130020190000810a004100,0500000030f005,050040030400000000089000000000004003000000000000000000000000000000000640c07a04,000080000010836070083270af506c2fdf3f7fff1f,0,12,51,5,0,11,66,68,-11.332,-3.925,2,-1.0,0.8936626320000001,+,2.302,-,2.302,https://www.genome.jp/dbget-bin/www_bget?dr:D08270
2007,D00617, Nicardipine hydrochloride (JP17/USAN), Dihydropyridine derivatives,C08CA04,CARDIOVASCULAR SYSTEM,[C@H]1(c2cc(ccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OCC[N@@H+](Cc1ccccc1)C,481.541,3.0041,136.006,118.73,38,3,5,YGWIQHSTKXRMQX-XMMPIXPASA-O,C26H31N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OCC[NH+](Cc1ccccc1)C)C,"InChI=1S/C26H30N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3,(H,32,33)/p+1/t24-/m1/s1",-6.0592,-5.8142,-5.2968,-4.8348,-4.7557,-4.614,1.7893,1.825,1.8809,2.0251,2.0551,D00617_C08CA04,100600440000040402020680000350000121048000004000000000c0003c8494900c400040800033008a000821010240016800061800432000001003000087101811091048151020000800022288030c009000400400b04e60089b00000c4015001400022100000200009000c00008000007038001130020190000810a004100,0500000030f005,050040030400000000089000000000004003000000000000000000000000000000000640c07a04,000080000010836070083270af506c2fdf3f7fff1f,0,12,51,5,0,11,66,68,-11.332,-3.926,2,1.0,0.893655777,+,2.302,-,2.302,https://www.genome.jp/dbget-bin/www_bget?dr:D00617
2008,D00437, Nifedipine (JP17/USP/INN), Dihydropyridine derivatives,C08CA05,CARDIOVASCULAR SYSTEM,[C@@H]1(c2c(cccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC,347.343,2.9189999999999996,92.9442,114.29,26,2,5,VGMYXLQAPLNNJW-UHFFFAOYSA-N,C17H19N2O6,COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N](=O)O)C(=O)OC)C,"InChI=1S/C17H19N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3,(H,22,23)",-5.2861,-4.7702,-4.732,-4.3212,-3.4005,-3.2396,1.6621,1.7579,1.8073,1.8933,2.0719,D00437_C08CA05,100600640000200402020680000210000101048000004000000000c0003880849008400040800031000a00080101024001680006180043000000100300008300188109104001122000200002a2c0030c009000400400304e60089a00000c00150004000021280002000090004000080000070380000120201900008102004100,0500000030f005,050040010000000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700800302700402fd6bd7bfa1f,0,6,34,5,0,6,44,45,-9.242,-1.0270000000000001,0,,0.7689834240000001,+,1.459,-,1.459,https://www.genome.jp/dbget-bin/www_bget?dr:D00437
2009,D00438, Nimodipine (USAN/INN), Dihydropyridine derivatives,C08CA06,CARDIOVASCULAR SYSTEM,[C@@H]1(c2cc(ccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC(C)C)C)C)C(=O)OCCOC,419.44800000000004,3.7142,113.257,123.52,35,2,6,WOFPYEDVPUJWJT-LJQANCHMSA-N,C21H27N2O7,COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC(C)C)C,"InChI=1S/C21H27N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3,(H,26,27)/t19-/m1/s1",-5.2965,-4.7443,-4.6814,-4.2883,-3.3957,-3.2448,1.5248,1.5486,1.6502,1.6887,2.0543,D00438_C08CA06,100600440000000402020680000250002121048000004000000000c0003c8484900c400840800035000a000821010240016800061800432000001003000083001891091040011020000800022280030c009000400400b04e60089b00002c40154004000021000002000090004000080000070380091500201900008102004100,0500000030f005,058040010000000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360f00a203027106c2fde3fffff1f,0,6,47,5,0,10,57,58,-9.292,-1.197,1,,0.899672925,+,1.8793,-,1.8793,https://www.genome.jp/dbget-bin/www_bget?dr:D00438
2010,D00618, Nisoldipine (JAN/USAN/INN), Dihydropyridine derivatives,C08CA07,CARDIOVASCULAR SYSTEM,[C@H]1(c2c(cccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OCC(C)C,389.42199999999997,3.9452,107.365,114.29,32,2,5,XHJPMEIRVAKIGO-GOSISDBHSA-N,C20H25N2O6,COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N](=O)O)C(=O)OCC(C)C)C,"InChI=1S/C20H25N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3,(H,25,26)/t18-/m1/s1",-5.2934,-4.7851,-4.7401,-4.343,-3.3960000000000004,-3.2273,1.6249,1.6291,1.7749,1.8485,2.0906,D00618_C08CA07,100600640000200402020680000210000101048000004000000000c0003c80849008400040800031000a00082101024001680006180043200000100300008300189109104001122000200002a2c0030c009000400400304e60089b00000c00150004000021280002000090004000080000070380000120201900008142004500,0500000030f005,050040010000000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700a00302710442fd6bd7bff1f,0,6,43,5,0,8,53,54,-9.195,-1.028,1,1.0,0.9202988740000001,+,1.7084,-,1.7084,https://www.genome.jp/dbget-bin/www_bget?dr:D00618
2011,D00629, Nitrendipine (JP17/USAN/INN), Dihydropyridine derivatives,C08CA08,CARDIOVASCULAR SYSTEM,[C@H]1(C(=C(NC(=C1C(=O)OC)C)C)C(=O)OCC)c1cc(ccc1)[N](=O)O,361.369,3.3091,97.7512,114.29,28,2,5,WONSAEWEOIKFNP-INIZCTEOSA-N,C18H21N2O6,CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC)C,"InChI=1S/C18H21N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3,(H,23,24)/t16-/m0/s1",-5.2951,-4.792,-4.6735,-4.2946,-3.3937,-3.2327,1.5442,1.5519,1.6309,1.6714,2.0527,D00629_C08CA08,100600440000000402020680000250000121048000004000000000c0003c8484900c400040800031000a000821010240016800061800432000001003000083001811091040011020000800022280030c009000400400b04e60089b00000c40150004000021000002000090004000080000070380011100201900008102004100,0500000030f005,050040010000000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700800302710422fd63d7bff1f,0,6,37,5,0,7,47,48,-9.365,-1.186,1,,0.825186193,+,1.5702,-,1.5702,https://www.genome.jp/dbget-bin/www_bget?dr:D00629
2012,D04657, Lacidipine (USAN/INN), Dihydropyridine derivatives,C08CA09,CARDIOVASCULAR SYSTEM,[C@@H]1(c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC,455.543,4.7313,130.766,90.93,40,1,7,GKQPCPXONLDCMU-CCEZHUSRSA-N,C26H33NO6,CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C=CC(=O)OC(C)(C)C)C(=O)OCC)C,"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+",-4.8117,-4.791,-4.6819,-3.3925,-3.233,-3.2156,1.5215,1.5378,1.5464,1.5833,1.6451,D04657_C08CA09,10060040000000040202068000025000010504c00020400001000080003c80849008400040c00011000a000821011000016800061880432000001003000483000a11091002000000000020022280020c009040400000304a40089b00000c808100040000a1100083002090004000082000070380000100220900008102004910,0400000030b005,150040010000000000089000000000004003000000000000000000000000000000000640437804,0000000000100220020a000007900225809bf3ff1f,0,6,55,6,0,11,66,67,-8.961,0.037000000000000005,0,-1.0,0.901134312,+,2.7707,-,2.7707,https://www.genome.jp/dbget-bin/www_bget?dr:D04657
2013,D01908, Nilvadipine (JP17/USAN/INN), Dihydropyridine derivatives,C08CA10,CARDIOVASCULAR SYSTEM,[C@@H]1(C(=C(NC(=C1C(=O)OC(C)C)C)C#N)C(=O)OC)c1cc(ccc1)[N](=O)O,386.379,3.20128,102.307,138.08,28,2,6,FPUAELBFUKZJJD-MRXNPFEDSA-N,C19H20N3O6,COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC(C)C)C,"InChI=1S/C19H20N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3,(H,25,26)/t16-/m1/s1",-5.2997,-4.7501,-4.7337,-4.2923,-3.4298,-3.3810000000000002,1.5419999999999998,1.6391,1.6502,1.6755,2.0529,D01908_C08CA10,100700440000000402020680004258000121048000004000000000c0023c8484900c400040840031000a0008210102402168000618004320000010030000c3001811091041011020000800022280038c009000400400b04e60089b00000c40150004000021000002000090004000080020070380011100201900018102004100,0500000030f015,0500400100000000000890000000000050030000000000000000000000000000000006c0c07a04,0000800000118360704a00302700402fd63dfbfa1f,0,6,37,5,1,7,48,49,-9.735,-1.349,1,2.0,0.801603079,+,1.5565,-,1.5565,https://www.genome.jp/dbget-bin/www_bget?dr:D01908
2014,D08155, Manidipine (INN), Dihydropyridine derivatives,C08CA11,CARDIOVASCULAR SYSTEM,c1cc(cc(c1)[N](=O)O)[C@@H]1C(=C(NC(=C1C(=O)OCC[N@H+]1CC[N@H+](CC1)C(c1ccccc1)c1ccccc1)C)C)C(=O)OC,613.7230000000001,6.0006,184.19400000000002,123.17,48,4,5,FBOBDIYLGCVZRD-JGCGQSQUSA-P,C35H41N4O6++,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OCC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)C,"InChI=1S/C35H39N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3,(H,42,43)/p+2/t32-/m1/s1",-6.8419,-6.0255,-5.9910000000000005,-5.2786,-4.711,-4.6708,2.157,2.3323,2.3476,2.3711,2.5418,D08155_C08CA11,10060044000004040202068080035008012104c000004000000000e0003c8494900c400260800033008a002821010240016800061800432000001003000087101811091048151020002800022288030c009000400400b04e60089b00000c4015001400032100000200009000c000080000070384011300201900008102004100,0500000030f005,050040030400000000089000000000004003000000000000000000000000000000000640c07a04,000080000010a360704c3274af50e0afdf3f7fff1f,0,18,67,5,0,12,86,90,-12.761,-7.735,1,0.0,0.006578736,+,3.8459,-,3.8459,https://www.genome.jp/dbget-bin/www_bget?dr:D08155
2015,D01553, Manidipine hydrochloride (JP17), Dihydropyridine derivatives,C08CA11,CARDIOVASCULAR SYSTEM,c1cc(cc(c1)[N](=O)O)[C@@H]1C(=C(NC(=C1C(=O)OCC[N@H+]1CC[N@H+](CC1)C(c1ccccc1)c1ccccc1)C)C)C(=O)OC,613.7230000000001,6.0006,184.19400000000002,123.17,48,4,5,FBOBDIYLGCVZRD-JGCGQSQUSA-P,C35H41N4O6++,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OCC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)C,"InChI=1S/C35H39N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3,(H,42,43)/p+2/t32-/m1/s1",-6.9899,-6.0265,-6.0099,-5.3053,-4.7534,-4.6827,2.2058,2.3329,2.3601,2.459,2.5292,D01553_C08CA11,10060044000004040202068080035008012104c000004000000000e0003c8494900c400260800033008a002821010240016800061800432000001003000087101811091048151020002800022288030c009000400400b04e60089b00000c4015001400032100000200009000c000080000070384011300201900008102004100,0500000030f005,050040030400000000089000000000004003000000000000000000000000000000000640c07a04,000080000010a360704c3274af50e0afdf3f7fff1f,0,18,67,5,0,12,86,90,-12.762,-7.733,1,0.0,0.006579204,+,3.8459,-,3.8459,https://www.genome.jp/dbget-bin/www_bget?dr:D01553
2016,D07494, Barnidipine (INN), Dihydropyridine derivatives,C08CA12,CARDIOVASCULAR SYSTEM,C([N@@H+]1CC[C@@H](C1)OC(=O)C1=C(NC(=C([C@@H]1c1cccc(c1)[N](=O)O)C(=O)OC)C)C)c1ccccc1,493.55199999999996,4.7158,142.319,118.73,38,3,5,OSHDEYATJZXMDJ-DHLKQENFSA-O,C27H31N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC1CC[NH+](C1)Cc1ccccc1)C,"InChI=1S/C27H30N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3,(H,33,34)/p+1/t22-,25-/m0/s1",-6.0418,-5.9077,-5.2989999999999995,-4.7817,-4.7743,-4.6279,1.83,1.8556,1.9169,2.0525,2.0733,D07494_C08CA12,100600440000042406020680000350000121049000004000000000c0013c8494900c4000c0800033008a001821010240016a00061800c320000010030000a7101811091048151020000808022288030c009000400400b04ee0089b00000c4015001400222100000210009000c00008000007038001131020190000814a004500,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700c36f6af40e0efdf7fffff1f,0,12,53,5,0,9,67,70,-11.449000000000002,-3.5980000000000003,3,0.0,0.940998256,+,2.5692,-,2.5692,https://www.genome.jp/dbget-bin/www_bget?dr:D07494
2017,D01104, Barnidipine hydrochloride (JAN), Dihydropyridine derivatives,C08CA12,CARDIOVASCULAR SYSTEM,C([N@@H+]1CC[C@@H](C1)OC(=O)C1=C(NC(=C([C@@H]1c1cccc(c1)[N](=O)O)C(=O)OC)C)C)c1ccccc1,493.55199999999996,4.7158,142.319,118.73,38,3,5,OSHDEYATJZXMDJ-DHLKQENFSA-O,C27H31N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC1CC[NH+](C1)Cc1ccccc1)C,"InChI=1S/C27H30N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3,(H,33,34)/p+1/t22-,25-/m0/s1",-6.0511,-5.8948,-5.2981,-4.79,-4.7348,-4.5929,1.6846,1.8317,1.8541,2.0375,2.0513,D01104_C08CA12,100600440000042406020680000350000121049000004000000000c0013c8494900c4000c0800033008a001821010240016a00061800c320000010030000a7101811091048151020000808022288030c009000400400b04ee0089b00000c4015001400222100000210009000c00008000007038001131020190000814a004500,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700c36f6af40e0efdf7fffff1f,0,12,53,5,0,9,67,70,-11.448,-3.597,3,,0.9409934879999999,+,2.5692,-,2.5692,https://www.genome.jp/dbget-bin/www_bget?dr:D01104
2018,D08111, Lercanidipine (INN), Dihydropyridine derivatives,C08CA13,CARDIOVASCULAR SYSTEM,[C@H]1(c2cc(ccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC(C[N@H+](CCC(c1ccccc1)c1ccccc1)C)(C)C,613.743,5.8047,179.75900000000001,118.73,50,3,5,BZENPPCOFVLOKF-MGBGTMOVSA-O,C36H43N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC(C[NH+](CCC(c1ccccc1)c1ccccc1)C)(C)C)C,"InChI=1S/C36H42N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3,(H,42,43)/p+1/t33-/m1/s1",-6.0408,-5.3154,-5.0036,-4.7934,-4.7228,-4.6388,1.5759999999999998,1.5946,1.6248,1.7278,2.0697,D08111_C08CA13,10260044000000040a02068080025000012104d000004000000000e0003c8494900c400040800033000a001821010240016a000618004320000010030000871018110d1048111820000800022280030c009000400400b04ee0089b00000c4015000400212100000200009000c000080000070380011310201902008102004100,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360720a3270afc86c2fdf3fffff1f,0,18,68,5,0,14,88,91,-11.297,-3.88,2,1.0,0.997176588,+,3.7937,-,3.7937,https://www.genome.jp/dbget-bin/www_bget?dr:D08111
2019,D01849, Lercanidipine hydrochloride (JAN/USAN), Dihydropyridine derivatives,C08CA13,CARDIOVASCULAR SYSTEM,[C@H]1(c2cc(ccc2)[N](=O)O)C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC(C[N@H+](CCC(c1ccccc1)c1ccccc1)C)(C)C,613.743,5.8047,179.75900000000001,118.73,50,3,5,BZENPPCOFVLOKF-MGBGTMOVSA-O,C36H43N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC(C[NH+](CCC(c1ccccc1)c1ccccc1)C)(C)C)C,"InChI=1S/C36H42N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3,(H,42,43)/p+1/t33-/m1/s1",-6.0228,-5.2963,-4.7952,-4.6561,-4.6277,-4.5258,1.6459,1.6611,1.6898,1.8171,2.0541,D01849_C08CA13,10260044000000040a02068080025000012104d000004000000000e0003c8494900c400040800033000a001821010240016a000618004320000010030000871018110d1048111820000800022280030c009000400400b04ee0089b00000c4015000400212100000200009000c000080000070380011310201902008102004100,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360720a3270afc86c2fdf3fffff1f,0,18,68,5,0,14,88,91,-11.3,-3.878,2,3.0,0.997176588,+,3.7937,-,3.7937,https://www.genome.jp/dbget-bin/www_bget?dr:D01849
2020,D01173, Cilnidipine (JP17/INN), Dihydropyridine derivatives,C08CA14,CARDIOVASCULAR SYSTEM,C1(=C([C@H](C(=C(N1)C)C(=O)OC/C=C/c1ccccc1)c1cccc(c1)[N](=O)O)C(=O)OCCOC)C,493.528,5.0192,138.062,123.52,37,2,6,IVGIPGPTUNIQJY-HGJFNOKFSA-N,C27H29N2O7,COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OCC=Cc1ccccc1)C,"InChI=1S/C27H29N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3,(H,32,33)/b11-8+/t25-/m0/s1",-5.2902,-4.73,-4.7082,-4.2928,-3.3936,-3.239,1.5467,1.6407,1.6808,1.8027,2.0524,D01173_C08CA14,10068044000000040202068002025000212504c000204000000000c0003c8484900c400840800035000a000821010240016800061800432000001003000483001891091042011020000800022280030c009000400400b04e60089b00002c401540040000a1000082000090004000180000070380091500201900008102004500,0500000030f005,158040010000000000089000000000004003000000000000000000000000000000000640c37a04,0000800000108360f008203027106c2fde3f7fff1f,0,12,49,6,0,12,65,67,-9.112,-1.193,1,1.0,0.973850608,+,2.3392,-,2.3392,https://www.genome.jp/dbget-bin/www_bget?dr:D01173
2021,D07509, Benidipine (INN), Dihydropyridine derivatives,C08CA15,CARDIOVASCULAR SYSTEM,C1(=C([C@H](C(=C(N1)C)C(=O)O[C@@H]1CCC[N@@H+](C1)Cc1ccccc1)c1cccc(c1)[N](=O)O)C(=O)OC)C,507.57800000000003,5.1059,147.126,118.73,40,3,5,GSFKIAPMQPURNT-ZEQKJWHPSA-O,C28H33N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC1CCC[NH+](C1)Cc1ccccc1)C,"InChI=1S/C28H32N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3,(H,34,35)/p+1/t23-,26-/m1/s1",-6.0783,-6.0622,-5.3022,-4.6892,-4.5803,-4.4871,1.8793,1.9125,1.9182,2.0645,2.1549,D07509_C08CA15,100e00440000042402020680000350000121049000024000000000c0003c8494900c500040800033008a001821010240016a00061800432000001003000087101811091048151820000800022288030c009001500400b04ee0089b00000c4015001400222100000200009000c00018000007038001131020190000814a004500,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700c3276af40e0efdf7fffff1f,0,12,56,5,0,9,70,73,-11.317,-3.878,3,0.0,0.961364508,+,2.7039999999999997,-,2.7039999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D07509
2022,D02045, Benidipine hydrochloride (JP17), Dihydropyridine derivatives,C08CA15,CARDIOVASCULAR SYSTEM,C1(=C([C@H](C(=C(N1)C)C(=O)O[C@@H]1CCC[N@@H+](C1)Cc1ccccc1)c1cccc(c1)[N](=O)O)C(=O)OC)C,507.57800000000003,5.1059,147.126,118.73,40,3,5,GSFKIAPMQPURNT-ZEQKJWHPSA-O,C28H33N3O6+,COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N](=O)O)C(=O)OC1CCC[NH+](C1)Cc1ccccc1)C,"InChI=1S/C28H32N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3,(H,34,35)/p+1/t23-,26-/m1/s1",-6.0461,-5.8521,-5.2996,-4.7439,-4.7316,-4.5968,1.9361,1.9529,2.0568,2.0698,2.0837,D02045_C08CA15,100e00440000042402020680000350000121049000024000000000c0003c8494900c500040800033008a001821010240016a00061800432000001003000087101811091048151820000800022288030c009001500400b04ee0089b00000c4015001400222100000200009000c00018000007038001131020190000814a004500,0500000030f005,070040030400000000089000000000004003000000000000000000000000000000000640c07a04,0000800000108360700c3276af40e0efdf7fffff1f,0,12,56,5,0,9,70,73,-11.318,-3.8789999999999996,3,,0.9613559840000001,+,2.7039999999999997,-,2.7039999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D02045
2023,D08892, Clevidipine (USAN/INN), Dihydropyridine derivatives,C08CA16,CARDIOVASCULAR SYSTEM,C1(=C([C@H](C(=C(N1)C)C(=O)OCOC(=O)CCC)c1cccc(c1Cl)Cl)C(=O)OC)C,456.316,4.574,116.236,90.93,30,1,7,KPBZROQVTHLCDU-GOSISDBHSA-N,C21H23Cl2NO6,CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C,"InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3/t18-/m1/s1",-4.8047,-4.7631,-4.4234,-3.3901,-3.2642,-3.2222,1.5536,1.5759999999999998,1.6365,1.6644,2.2633,D08892_C08CA16,10060240000020040202068000021000010104a40000400000021080003880849008440040806011000b010801050040016800061880434000001003000083000a012910000000800000000226a0020e809800400000304a60089a00000c280100240008210800040000900040030800000f8380000100200900008502804100,0400000030b005,070040010000000000089000000000004003000000040000000000000000000000000640407805,000000080010022000084011471426a5a99977ff1f,0,6,43,5,0,10,53,54,-9.07,-0.122,1,-1.0,0.916631937,+,2.7703,-,2.7703,https://www.genome.jp/dbget-bin/www_bget?dr:D08892
2024,D08217, Mibefradil (INN), Other selective calcium channel blockers with mainly vascular effects,C08CX01,CARDIOVASCULAR SYSTEM,[C@@]1([C@H](c2c(CC1)cc(cc2)F)C(C)C)(CC[N@H+](CCCc1[nH]c2c(n1)cccc2)C)OC(=O)COC,496.63699999999994,3.8538,142.216,68.65,43,2,4,HBNPJJILLOYFJU-VMPREFPWSA-O,C29H39FN3O3+,COCC(=O)OC1(CC[NH+](CCCc2nc3c([nH]2)cccc3)C)CCc2c(C1C(C)C)ccc(c2)F,"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/p+1/t28-,29-/m0/s1",-6.0341,-4.6932,-4.5535,-4.5255,-4.3715,-2.8956,1.5243,1.5332,1.5494,1.5619999999999998,1.5708,D08217_C08CX01,80260020000002400688c600060210002101001000000080010000800104000010005008c0408025300a001820010160010210000820e00480000086000222080c900c0260000600001068000280000000c0815004803009c038080000291000410000202010000012400000600004000007011202051000080000010a000000,0500000030f005,078040020400000000009000000000000000000000089400000000000000000000004600c02a04,00000000200201008352769699ddace72df3ffff1f,1,16,61,1,0,12,75,78,-11.127,-3.944,3,0.0,0.849498451,+,2.0043,-,2.0043,https://www.genome.jp/dbget-bin/www_bget?dr:D08217
2025,D05024, Mibefradil dihydrochloride (USAN), Other selective calcium channel blockers with mainly vascular effects,C08CX01,CARDIOVASCULAR SYSTEM,[C@@]1([C@H](c2c(CC1)cc(cc2)F)C(C)C)(CC[N@H+](CCCc1[nH]c2c(n1)cccc2)C)OC(=O)COC,496.63699999999994,3.8538,142.216,68.65,43,2,4,HBNPJJILLOYFJU-VMPREFPWSA-O,C29H39FN3O3+,COCC(=O)OC1(CC[NH+](CCCc2nc3c([nH]2)cccc3)C)CCc2c(C1C(C)C)ccc(c2)F,"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/p+1/t28-,29-/m0/s1",-6.0360000000000005,-4.6029,-4.5421,-4.5188,-4.4624,-2.9618,1.5644,1.5695,1.6112,1.8181,1.8907,D05024_C08CX01,80260020000002400688c600060210002101001000000080010000800104000010005008c0408025300a001820010160010210000820e00480000086000222080c900c0260000600001068000280000000c0815004803009c038080000291000410000202010000012400000600004000007011202051000080000010a000000,0500000030f005,078040020400000000009000000000000000000000089400000000000000000000004600c02a04,00000000200201008352769699ddace72df3ffff1f,1,16,61,1,0,12,75,78,-11.123,-3.944,3,1.0,0.849417865,+,2.0043,-,2.0043,https://www.genome.jp/dbget-bin/www_bget?dr:D05024
2026,D02356, Verapamil (USAN/INN), Phenylalkylamine derivatives,C08DA01,CARDIOVASCULAR SYSTEM,[C@@](c1cc(c(cc1)OC)OC)(CCC[N@@H+](CCc1cc(c(cc1)OC)OC)C)(C(C)C)C#N,455.61,3.6759800000000005,133.719,65.15,44,1,5,SGTNSNPWRIOYBX-HHHXNRCGSA-O,C27H39N2O4+,COc1ccc(cc1OC)CC[NH+](CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1",-6.0799,-4.5784,-4.4659,-4.4601,-2.1937,-1.1548,1.3697,1.4393,1.5096,1.5135,1.5868,D02356_C08DA01,80260000000000040a000600000200040000001000001200000000800000000010005081000480001000203800010000010202000020080000000002000040000c8004000100000100002020024000000080014000003008c0080800800810000000002000000402000000c000100000000601000a0110200800004300000000,0100000050f011,0f0042020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101008202321288c82de201fafff51f,0,12,60,0,1,13,72,73,-11.315999999999999,-3.955,2,1.0,0.336843461,-,1.0499,-,1.0499,https://www.genome.jp/dbget-bin/www_bget?dr:D02356
2027,D00619, Verapamil hydrochloride (JP17/USP), Phenylalkylamine derivatives,C08DA01,CARDIOVASCULAR SYSTEM,[C@@](c1cc(c(cc1)OC)OC)(CCC[N@@H+](CCc1cc(c(cc1)OC)OC)C)(C(C)C)C#N,455.61,3.6759800000000005,133.719,65.15,44,1,5,SGTNSNPWRIOYBX-HHHXNRCGSA-O,C27H39N2O4+,COc1ccc(cc1OC)CC[NH+](CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1",-6.032,-4.6415,-4.5993,-4.562,-2.5937,-1.0571,1.4063,1.4405,1.4804,1.5874,1.6028,D00619_C08DA01,80260000000000040a000600000200040000001000001200000000800000000010005081000480001000203800010000010202000020080000000002000040000c8004000100000100002020024000000080014000003008c0080800800810000000002000000402000000c000100000000601000a0110200800004300000000,0100000050f011,0f0042020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101008202321288c82de201fafff51f,0,12,60,0,1,13,72,73,-11.345,-3.951,2,,0.336984247,-,1.0499,-,1.0499,https://www.genome.jp/dbget-bin/www_bget?dr:D00619
2028,D08009, Gallopamil (INN), Phenylalkylamine derivatives,C08DA02,CARDIOVASCULAR SYSTEM,[C@@](c1cc(c(c(c1)OC)OC)OC)(CCC[N@@H+](CCc1cc(c(cc1)OC)OC)C)(C(C)C)C#N,485.63599999999997,3.6845800000000004,140.211,74.38,47,1,6,XQLWNAFCTODIRK-MUUNZHRXSA-O,C28H41N2O5+,COc1ccc(cc1OC)CC[NH+](CCCC(c1cc(OC)c(c(c1)OC)OC)(C(C)C)C#N)C,"InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3/p+1/t28-/m1/s1",-6.101,-4.7195,-4.6298,-4.5753,-2.5497,-2.1712,1.4518,1.4666,1.5845,1.6129,1.7467,D08009_C08DA02,80260000000000040a000600000200040000001000001200000000800000000010005081000480001000203800010000010a02000020080004000002000040000c8004000100000100002020024000000080014000003008c0080800800810000000002000000442000000c000100000000601000a0110200800004301000000,0100000050f011,0f0042020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101008202321388c82de201fafff51f,0,12,64,0,1,14,76,77,-11.122,-3.93,2,0.0,0.387172461,-,1.3614,-,1.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D08009
2029,D01969, Gallopamil hydrochloride (JAN), Phenylalkylamine derivatives,C08DA02,CARDIOVASCULAR SYSTEM,[C@@](c1cc(c(c(c1)OC)OC)OC)(CCC[N@@H+](CCc1cc(c(cc1)OC)OC)C)(C(C)C)C#N,485.63599999999997,3.6845800000000004,140.211,74.38,47,1,6,XQLWNAFCTODIRK-MUUNZHRXSA-O,C28H41N2O5+,COc1ccc(cc1OC)CC[NH+](CCCC(c1cc(OC)c(c(c1)OC)OC)(C(C)C)C#N)C,"InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3/p+1/t28-/m1/s1",-6.0347,-4.5837,-4.5729,-4.561,-2.4003,-1.0361,1.4043,1.44,1.4409,1.5936,1.5989,D01969_C08DA02,80260000000000040a000600000200040000001000001200000000800000000010005081000480001000203800010000010a02000020080004000002000040000c8004000100000100002020024000000080014000003008c0080800800810000000002000000442000000c000100000000601000a0110200800004301000000,0100000050f011,0f0042020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101008202321388c82de201fafff51f,0,12,64,0,1,14,76,77,-11.119000000000002,-3.915,2,,0.403223395,-,1.3614,-,1.3614,https://www.genome.jp/dbget-bin/www_bget?dr:D01969
2030,D07185, Fendiline (INN), Phenylalkylamine derivatives,C08EA01,CARDIOVASCULAR SYSTEM,c1cccc(c1)C(c1ccccc1)CC[NH2+][C@@H](c1ccccc1)C,316.459,4.5332,103.669,16.61,26,1,0,NMKSAYKQLCHXDK-LJQANCHMSA-O,C23H26N+,CC(c1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1,"InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3/p+1/t19-/m1/s1",-5.7262,-5.6896,-5.5525,-4.3745,-0.9421,-0.883,1.5601,1.5957,1.7888,1.7964,1.9856,D07185_C08EA01,00060000000004200a00060080010000000000d000000000000000e0000000001000400000000000008000180001000001020000000000000000000200000000000004000004000000000000020800000080004000003008c0080800000800000010002300000000000000000000000000060100000110000002000000000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a0088482800000045ad17,0,18,34,0,0,7,50,52,-12.270999999999999,-3.638,1,0.0,0.132657111,+,0.9469,+,0.9469,https://www.genome.jp/dbget-bin/www_bget?dr:D07185
2031,D07943, Fendiline hydrochloride, Phenylalkylamine derivatives,C08EA01,CARDIOVASCULAR SYSTEM,c1cccc(c1)C(c1ccccc1)CC[NH2+][C@@H](c1ccccc1)C,316.459,4.5332,103.669,16.61,26,1,0,NMKSAYKQLCHXDK-LJQANCHMSA-O,C23H26N+,CC(c1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1,"InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3/p+1/t19-/m1/s1",-5.726,-5.7102,-5.627999999999999,-4.3885,-1.1621,-0.8783,1.555,1.5696,1.8094,1.8187,2.0154,D07943_C08EA01,00060000000004200a00060080010000000000d000000000000000e0000000001000400000000000008000180001000001020000000000000000000200000000000004000004000000000000020800000080004000003008c0080800000800000010002300000000000000000000000000060100000110000002000000000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000000a0088482800000045ad17,0,18,34,0,0,7,50,52,-12.319,-3.62,1,0.0,0.118559167,+,0.9469,+,0.9469,https://www.genome.jp/dbget-bin/www_bget?dr:D07943
2032,D07520, Bepridil (INN), Phenylalkylamine derivatives,C08EA02,CARDIOVASCULAR SYSTEM,N(C[C@H]([NH+]1CCCC1)COCC(C)C)(Cc1ccccc1)c1ccccc1,367.548,4.9823,119.95100000000001,16.91,37,1,2,UIEATEWHFDRYRU-DEOSSOPVSA-O,C24H35N2O+,CC(COCC([NH+]1CCCC1)CN(c1ccccc1)Cc1ccccc1)C,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/p+1/t24-/m0/s1",-6.0094,-4.5753,-4.574,-4.4574,-4.1794,-3.0326,1.5702,1.5824,1.5882,1.7121,2.6712,D07520_C08EA02,000200000000042000000600008300088100009000000000000000c00104001012004002810001330080003820001040010200000000800800000002000024100800080048140a00002008000208000000c0014004002000c00a0100000000000010002200000000100000008000002000060184200110000000000042400000,0100000030f021,078040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100004636c6895824a351235dbd1f,0,12,52,0,0,10,62,64,-11.652999999999999,-3.74,1,0.0,0.137318537,+,1.189,-,1.189,https://www.genome.jp/dbget-bin/www_bget?dr:D07520
2033,D00631, Bepridil hydrochloride (USAN), Phenylalkylamine derivatives,C08EA02,CARDIOVASCULAR SYSTEM,N(C[C@H]([NH+]1CCCC1)COCC(C)C)(Cc1ccccc1)c1ccccc1,367.548,4.9823,119.95100000000001,16.91,37,1,2,UIEATEWHFDRYRU-DEOSSOPVSA-O,C24H35N2O+,CC(COCC([NH+]1CCCC1)CN(c1ccccc1)Cc1ccccc1)C,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/p+1/t24-/m0/s1",-6.0078,-4.5751,-4.5358,-4.438,-4.143,-2.9804,1.5654,1.5732,1.6998,1.8030000000000002,2.6919,D00631_C08EA02,000200000000042000000600008300088100009000000000000000c00104001012004002810001330080003820001040010200000000800800000002000024100800080048140a00002008000208000000c0014004002000c00a0100000000000010002200000000100000008000002000060184200110000000000042400000,0100000030f021,078040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100004636c6895824a351235dbd1f,0,12,52,0,0,10,62,64,-11.923,-3.588,1,1.0,0.02784729,+,1.189,-,1.189,https://www.genome.jp/dbget-bin/www_bget?dr:D00631
2034,D04733, Lidoflazine (USAN/INN), Other non-selective calcium channel blockers,C08EX01,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)CCC[N@@H+]1CC[N@@H+](CC1)CC(=O)Nc1c(cccc1C)C)F,493.631,6.1272,151.466,37.98,39,3,2,ZBIAKUMOEKILTF-UHFFFAOYSA-P,C30H37F2N3O++,O=C(Nc1c(C)cccc1C)C[NH+]1CC[NH+](CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F,"InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)/p+2",-6.042000000000001,-6.0069,-4.9757,-4.5569,-4.5437,-4.5425,1.9702,2.3395,2.3612,2.6908,2.9711,D04733_C08EX01,000600000040000003800600808000088110005010000000000000a00000000012005002232000200006003800011040010210000000000880000002000024000800000040000200013030000280000200a0014004003808c00a0800000810000000002100000000500000000100000000060106220110000000000102400000,0500000000f001,0700400204000000000080000a0000000000000000080000000000000000000000000600c02a04,00000000000221000044724e8a64b0837da37daf1f,2,18,57,1,0,10,73,76,-13.338,-8.354,0,1.0,0.005627585,-,2.1784,-,2.1784,https://www.genome.jp/dbget-bin/www_bget?dr:D04733
2035,D08340, Perhexiline (INN), Other non-selective calcium channel blockers,C08EX02,CARDIOVASCULAR SYSTEM,C1CCCC(C1)C(C1CCCCC1)C[C@@H]1[NH2+]CCCC1,278.496,5.8384,94.7844,16.61,36,1,0,CYXKNKQEMFBLER-GOSISDBHSA-O,C19H36N+,C1CCC(CC1)C(C1CCCCC1)CC1CCCC[NH2+]1,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/p+1/t18-/m1/s1",-5.7557,-5.6801,-4.3985,-4.3882,0.0,0.0,1.4412,1.5634,1.5718,1.574,1.6051,D08340_C08EX02,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0100000000e001,060040010400000000000000000000000000000000000000000000000000000000000400c02204,000000000000010000000a068a4020810101452d15,0,0,58,0,0,4,56,58,-13.183,-3.734,1,1.0,0.07595665,+,2.1092,-,2.1092,https://www.genome.jp/dbget-bin/www_bget?dr:D08340
2036,D05442, Perhexiline maleate (USAN), Other non-selective calcium channel blockers,C08EX02,CARDIOVASCULAR SYSTEM,C1CCCC(C1)C(C1CCCCC1)C[C@@H]1[NH2+]CCCC1,278.496,5.8384,94.7844,16.61,36,1,0,CYXKNKQEMFBLER-GOSISDBHSA-O,C19H36N+,C1CCC(CC1)C(C1CCCCC1)CC1CCCC[NH2+]1,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2/p+1/t18-/m1/s1",-5.75,-5.6964,-4.397,-4.3841,0.0,0.0,1.445,1.567,1.5673,1.5677,1.6034,D05442_C08EX02,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0100000000e001,060040010400000000000000000000000000000000000000000000000000000000000400c02204,000000000000010000000a068a4020810101452d15,0,0,58,0,0,4,56,58,-13.179,-3.735,1,1.0,0.076002918,+,2.1092,-,2.1092,https://www.genome.jp/dbget-bin/www_bget?dr:D05442
2037,D00251, Captopril (JP17/USP/INN)," ACE inhibitors, plain",C09AA01,CARDIOVASCULAR SYSTEM,C1CC[C@H](N1C(=O)[C@@H](CS)C)C(=O)O,217.285,0.5658,59.9748,96.41,19,2,5,FAKRSMQSSFJEIM-RQJHMYQMSA-N,C9H15NO3S,SCC(C(=O)N1CCCC1C(=O)O)C,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",-4.5534,-4.4126,-3.9043,-3.7954,-2.5071,-2.3884,1.6442,2.2315,2.3421,2.3631,2.3857,D00251_C09AA01,00220101004000202100040000000000000000100000000000000000000000001800100000020003000e0410000000400102400000004000000000000000001008000800000008800000040112800006003001400000200080000000000000000000002000000000100000008000080000041000000010000050000100000100,0400000c00a003,070000000800000000008800120000000000000000000000000000000000000000000400402805,0000000000000000000496ce0868348785072eff19,0,0,27,2,0,4,29,29,-4.314,2.878,2,0.0,1.97473e-06,-,0.9854,-,0.9854,https://www.genome.jp/dbget-bin/www_bget?dr:D00251
2038,D07892, Enalapril (INN)," ACE inhibitors, plain",C09AA02,CARDIOVASCULAR SYSTEM,N1(CCC[C@H]1C(=O)O)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C,377.455,0.5163,105.912,100.52,34,2,6,GBXSMTUPTTWBMN-XIRDDKMYSA-O,C20H29N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/p+1/t14-,16-,17-/m0/s1",-5.7033,-5.6623,-4.8,-4.7578,-4.7436,-4.5941,2.2872,2.3854,2.3883,2.5634,2.9724,D07892_C09AA02,00264000004000200b00060000020008010000100000000000000080000400001800500201000013000e0438200100000102000000004000000000020000821008100c0008101880032020011280000600b0014000203008c0080800000800000000002000000000100000008000080000070184020110000052000100000100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000000600c02a04,000000000000010000441cce887832a7852f7eff1f,0,6,48,3,0,11,56,57,-7.041,-1.8659999999999999,3,1.0,0.002455707,+,1.6313,-,1.6313,https://www.genome.jp/dbget-bin/www_bget?dr:D07892
2039,D00621, Enalapril maleate (JP17/USP)," ACE inhibitors, plain",C09AA02,CARDIOVASCULAR SYSTEM,N1(CCC[C@H]1C(=O)O)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C,377.455,0.5163,105.912,100.52,34,2,6,GBXSMTUPTTWBMN-XIRDDKMYSA-O,C20H29N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/p+1/t14-,16-,17-/m0/s1",-5.6803,-5.6616,-4.7308,-4.7037,-4.5921,-4.425,2.3938,2.4476,2.5404,2.6675,2.9472,D00621_C09AA02,00264000004000200b00060000020008010000100000000000000080000400001800500201000013000e0438200100000102000000004000000000020000821008100c0008101880032020011280000600b0014000203008c0080800000800000000002000000000100000008000080000070184020110000052000100000100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000000600c02a04,000000000000010000441cce887832a7852f7eff1f,0,6,48,3,0,11,56,57,-7.04,-1.869,3,0.0,0.002451326,+,1.6313,-,1.6313,https://www.genome.jp/dbget-bin/www_bget?dr:D00621
2040,D08131, Lisinopril (INN)," ACE inhibitors, plain",C09AA03,CARDIOVASCULAR SYSTEM,N1([C@@H](CCC1)C(=O)O)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)O)CCCC[NH3+],407.504,-0.5699,115.171,139.16,37,4,6,RLAWWYSOJDYHDC-BZSNNMDCSA-P,C21H33N3O5++,[NH3+]CCCCC(C(=O)N1CCCC1C(=O)O)[NH2+]C(C(=O)O)CCc1ccccc1,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/p+2/t16-,17-,18-/m0/s1",-5.7306,-5.7043,-5.3624,-5.3525,-5.3488,-4.7132,2.4205,2.6107,2.8151,2.8710000000000004,3.0089,D08131_C09AA03,00264000004000200b00060000000008000000100000000000000080000000001800500201000003300e0438000100000102000000204000000000020000001008000c0000001880032020011a80000600b0014000203008c0080800000800000000002000000000100000008000080000060104020110000052000100000100,0500000c00f003,0200c0010400000000008800120000900100000000000000000000000000000000000600c02a04,000000000000210000441ece88603087852f6e7f1f,0,6,54,3,0,13,62,63,-6.9879999999999995,-1.6380000000000001,3,-1.0,3.52744e-05,-,1.9302,-,1.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D08131
2041,D00362, Lisinopril (USP)," ACE inhibitors, plain",C09AA03,CARDIOVASCULAR SYSTEM,N1([C@@H](CCC1)C(=O)O)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)O)CCCC[NH3+],407.504,-0.5699,115.171,139.16,37,4,6,RLAWWYSOJDYHDC-BZSNNMDCSA-P,C21H33N3O5++,[NH3+]CCCCC(C(=O)N1CCCC1C(=O)O)[NH2+]C(C(=O)O)CCc1ccccc1,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/p+2/t16-,17-,18-/m0/s1",-5.7256,-5.696000000000001,-5.3660000000000005,-5.3623,-5.354,-4.6897,2.4672,2.5077,2.5306,2.6586,2.8886,D00362_C09AA03,00264000004000200b00060000000008000000100000000000000080000000001800500201000003300e0438000100000102000000204000000000020000001008000c0000001880032020011a80000600b0014000203008c0080800000800000000002000000000100000008000080000060104020110000052000100000100,0500000c00f003,0200c0010400000000008800120000900100000000000000000000000000000000000600c02a04,000000000000210000441ece88603087852f6e7f1f,0,6,54,3,0,13,62,63,-6.989,-1.639,3,,3.51831e-05,-,1.9302,-,1.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D00362
2042,D03753, Perindopril (USAN/INN)," ACE inhibitors, plain",C09AA04,CARDIOVASCULAR SYSTEM,N1([C@@H]2[C@H](C[C@H]1C(=O)O)CCCC2)C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCC)C,369.476,0.8523,103.346,100.52,38,2,6,IPVQLZZIHOAWMC-QXKUPLGCSA-O,C19H33N2O5+,CCCC(C(=O)OCC)[NH2+]C(C(=O)N1C2CCCCC2CC1C(=O)O)C,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/p+1/t12-,13-,14-,15-,16-/m0/s1",-5.6828,-5.6667,-4.8616,-4.8329,-4.5569,-4.439,2.3739,2.3752,2.6399,2.6611,2.9966,D03753_C09AA04,00220000004002200100040000020008010000100000000000000000000400001800100201000013100e043020000000010200000020400200000000000082100810080008101880032080011a80000600b001400020200080000000000000000000002000000000100000008000080000070184000010000050000100000100,0500000c30e007,070040010400000000009800120000800100000000000000000000000000000000004400c02a04,000000000000010000441cce907936a7853d7eff1d,0,0,57,3,0,10,59,60,-7.607,-1.305,5,,0.001056761,-,1.3656,-,1.3656,https://www.genome.jp/dbget-bin/www_bget?dr:D03753
2043,D00624, Perindopril erbumine (JAN/USAN)," ACE inhibitors, plain",C09AA04,CARDIOVASCULAR SYSTEM,N1([C@@H]2[C@H](C[C@H]1C(=O)O)CCCC2)C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCC)C,369.476,0.8523,103.346,100.52,38,2,6,IPVQLZZIHOAWMC-QXKUPLGCSA-O,C19H33N2O5+,CCCC(C(=O)OCC)[NH2+]C(C(=O)N1C2CCCCC2CC1C(=O)O)C,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/p+1/t12-,13-,14-,15-,16-/m0/s1",-5.709,-5.6958,-4.7441,-4.7265,-4.5365,-4.4736,2.3702,2.3703,2.5241,2.6024,2.9748,D00624_C09AA04,00220000004002200100040000020008010000100000000000000000000400001800100201000013100e043020000000010200000020400200000000000082100810080008101880032080011a80000600b001400020200080000000000000000000002000000000100000008000080000070184000010000050000100000100,0500000c30e007,070040010400000000009800120000800100000000000000000000000000000000004400c02a04,000000000000010000441cce907936a7853d7eff1d,0,0,57,3,0,10,59,60,-8.351,-1.006,5,,0.001274554,-,1.3656,-,1.3656,https://www.genome.jp/dbget-bin/www_bget?dr:D00624
2044,D00421, Ramipril (USP/INN)," ACE inhibitors, plain",C09AA05,CARDIOVASCULAR SYSTEM,N1([C@@H]2[C@H](C[C@H]1C(=O)O)CCC2)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C,417.519,1.2949,118.219,100.52,38,2,6,HDACQVRGBOVJII-JBDAPHQKSA-O,C23H33N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1C2CCCC2CC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/p+1/t15-,17-,18-,19-,20-/m0/s1",-5.7323,-5.692,-4.863,-4.7372,-4.578,-4.4905,2.3633,2.3943,2.5435,2.733,2.9792,D00421_C09AA05,00264000004002200b00060100020008010000100000000000000080000400001800500201000013100e0438200100000102000000204000000000020000821008100c00081018800320a0011a80000600b0014000203008c0080800000800000000002000000000100000008000080000070184020110000052000100000100,0500000c30f007,070040010400000000009800120000800100000000000000000000000000000000004600c02a04,000000000000010000441cce907932a7852d7eff1f,0,6,56,3,0,11,63,65,-8.446,-1.0090000000000001,5,-3.0,0.013859541999999999,+,1.7068,-,1.7068,https://www.genome.jp/dbget-bin/www_bget?dr:D00421
2045,D03752, Quinapril (USP/INN)," ACE inhibitors, plain",C09AA06,CARDIOVASCULAR SYSTEM,C1c2c(C[C@H](N1C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc1ccccc1)C)C(=O)O)cccc2,439.524,1.4788,125.751,100.52,36,2,6,JSDRRTOADPPCHY-HSQYWUDLSA-O,C25H31N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/p+1/t17-,21-,22-/m0/s1",-5.6966,-5.6316,-4.8043,-4.7793,-4.6067,-4.4767,2.3909,2.4516,2.5486,2.8794,2.9432,D03752_C09AA06,00264000004004200b0086000003000c0100009000400000010000c0000c00001800408341400013008e2038200102800102000008004000200000020002821008100c0088141880032020008288000600b0004000203008c008090080080000041000220010000100000000a000080000070194020110000052800108800100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000004600c02a04,00000000000001000044184e9a7932a785af7fff1f,0,12,50,3,0,11,63,65,-7.7410000000000005,-1.349,3,1.0,0.337384224,-,1.6615,-,1.6615,https://www.genome.jp/dbget-bin/www_bget?dr:D03752
2046,D00459, Quinapril hydrochloride (JP17/USP)," ACE inhibitors, plain",C09AA06,CARDIOVASCULAR SYSTEM,C1c2c(C[C@H](N1C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc1ccccc1)C)C(=O)O)cccc2,439.524,1.4788,125.751,100.52,36,2,6,JSDRRTOADPPCHY-HSQYWUDLSA-O,C25H31N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/p+1/t17-,21-,22-/m0/s1",-5.6884,-5.6184,-4.8011,-4.7382,-4.6061,-4.497,2.3962,2.4153,2.4976,2.9304,2.9581,D00459_C09AA06,00264000004004200b0086000003000c0100009000400000010000c0000c00001800408341400013008e2038200102800102000008004000200000020002821008100c0088141880032020008288000600b0004000203008c008090080080000041000220010000100000000a000080000070194020110000052800108800100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000004600c02a04,00000000000001000044184e9a7932a785af7fff1f,0,12,50,3,0,11,63,65,-7.7410000000000005,-1.351,3,,0.33760196,-,1.6615,-,1.6615,https://www.genome.jp/dbget-bin/www_bget?dr:D00459
2047,D07499, Benazepril (INN)," ACE inhibitors, plain",C09AA07,CARDIOVASCULAR SYSTEM,C1c2c(N(C(=O)[C@H](C1)[NH2+][C@@H](CCc1ccccc1)C(=O)OCC)CC(=O)O)cccc2,425.49699999999996,1.6119,121.50200000000001,100.52,34,2,6,XPCFTKFZXHTYIP-PMACEKPBSA-O,C24H29N2O5+,CCOC(=O)C([NH2+]C1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/p+1/t19-,20-/m0/s1",-5.7041,-5.7006,-4.738,-4.7368,-4.5537,-4.4405,2.3701,2.3901,2.5459,2.5808,2.9875,D07499_C09AA07,00264020805000200b00060000820808811000101000000880000080000400001a00500201200033000e0038200110400102000008004008000000020080a6100a100c0048101a80032030000280000600b0014024203808c00a0808000810000001102000000003402000008000082000070184221110000042000102400100,0500000c30f007,030040010400000000009800200000800100000000000000000000000000000000004600c02a04,00000400000001000044184e987132e7dcef6fff1f,0,12,47,3,0,10,60,62,-7.614,-1.469,2,0.0,0.056793913,-,1.5923,-,1.5923,https://www.genome.jp/dbget-bin/www_bget?dr:D07499
2048,D00620, Benazepril hydrochloride (JAN/USAN)," ACE inhibitors, plain",C09AA07,CARDIOVASCULAR SYSTEM,C1c2c(N(C(=O)[C@H](C1)[NH2+][C@@H](CCc1ccccc1)C(=O)OCC)CC(=O)O)cccc2,425.49699999999996,1.6119,121.50200000000001,100.52,34,2,6,XPCFTKFZXHTYIP-PMACEKPBSA-O,C24H29N2O5+,CCOC(=O)C([NH2+]C1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/p+1/t19-,20-/m0/s1",-5.7225,-5.7037,-4.7592,-4.7564,-4.5647,-4.3891,2.2483,2.3698,2.3885,2.6308,2.9903,D00620_C09AA07,00264020805000200b00060000820808811000101000000880000080000400001a00500201200033000e0038200110400102000008004008000000020080a6100a100c0048101a80032030000280000600b0014024203808c00a0808000810000001102000000003402000008000082000070184221110000042000102400100,0500000c30f007,030040010400000000009800200000800100000000000000000000000000000000004600c02a04,00000400000001000044184e987132e7dcef6fff1f,0,12,47,3,0,10,60,62,-7.6129999999999995,-1.4709999999999999,2,1.0,0.056919858,-,1.5923,-,1.5923,https://www.genome.jp/dbget-bin/www_bget?dr:D00620
2049,D07699, Cilazapril (INN)," ACE inhibitors, plain",C09AA08,CARDIOVASCULAR SYSTEM,C1[N@H+]2N(C(=O)[C@H](CC1)[NH2+][C@H](C(=O)OCC)CCc1ccccc1)[C@@H](CCC2)C(=O)O,419.515,0.6593,121.186,104.96,38,3,6,HHHKFGXWKKUNCY-FHWLQOOXSA-P,C22H33N3O5++,CCOC(=O)C([NH2+]C1CCC[NH+]2N(C1=O)C(CCC2)C(=O)O)CCc1ccccc1,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/p+2/t17-,18-,19-/m0/s1",-5.685,-5.6229,-4.8211,-4.7963,-4.6079,-4.4123,2.3588,2.4777,2.7508,2.8483,2.9901,D07699_C09AA08,0826440000e000200b000e0000020009010000100000011000010080000400001800500201400053200e043820010080010a000000005004000000020000821008100c00881118a0032020011280000604b0034018203008c00c0800000820020000002000000100000000008001080000070184422110000052000104000100,0500000c30f007,030040010400000000009800000000800100000000000000000000000000000000004600c02a04,000004000000190010c02a6e9b71b2ef956f6fff1f,0,6,56,3,0,9,63,65,-10.775,-4.763999999999999,4,0.0,4.8689999999999995e-06,-,1.7409,-,1.7409,https://www.genome.jp/dbget-bin/www_bget?dr:D07699
2050,D01069, Cilazapril (USAN)," ACE inhibitors, plain",C09AA08,CARDIOVASCULAR SYSTEM,C1[N@H+]2N(C(=O)[C@H](CC1)[NH2+][C@H](C(=O)OCC)CCc1ccccc1)[C@@H](CCC2)C(=O)O,419.515,0.6593,121.186,104.96,38,3,6,HHHKFGXWKKUNCY-FHWLQOOXSA-P,C22H33N3O5++,CCOC(=O)C([NH2+]C1CCC[NH+]2N(C1=O)C(CCC2)C(=O)O)CCc1ccccc1,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/p+2/t17-,18-,19-/m0/s1",-5.6712,-5.6549,-4.7659,-4.7508,-4.5697,-4.4247,2.3533,2.4869,2.6268,2.7535,2.98,D01069_C09AA08,0826440000e000200b000e0000020009010000100000011000010080000400001800500201400053200e043820010080010a000000005004000000020000821008100c00881118a0032020011280000604b0034018203008c00c0800000820020000002000000100000000008001080000070184422110000052000104000100,0500000c30f007,030040010400000000009800000000800100000000000000000000000000000000004600c02a04,000004000000190010c02a6e9b71b2ef956f6fff1f,0,6,56,3,0,9,63,65,-10.78,-4.762,4,-1.0,4.84452e-06,-,1.7409,-,1.7409,https://www.genome.jp/dbget-bin/www_bget?dr:D01069
2051,D07992, Fosinopril (INN)," ACE inhibitors, plain",C09AA09,CARDIOVASCULAR SYSTEM,c1cccc(c1)CCCC[P@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)O[C@H](OC(=O)CC)C(C)C,563.663,6.0592,157.55700000000002,120.02,53,1,8,BIDNLKIUORFRQP-XYGFDPSESA-N,C30H46NO7P,CCC(=O)OC(C(C)C)OP(=O)(CC(=O)N1CC(CC1C(=O)O)C1CCCCC1)CCCCc1ccccc1,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1",-6.5217,-4.7588,-4.5375,-4.4551,-4.3627,-3.9105,2.233,2.3677,2.3905,2.4156,2.8629,D07992_C09AA09,21c60000004086300303060100028c0000402138000400220001008002240000188250800000c003102e56192041000101020000106040c20300100228000a100816282000500982b000a2011a80000600b0114001003009e008080000c8000000000030004900001000000081000800200e05000a0510000852000340040100,0400000c30b007,070000000000000003009800120000000000000000000000000000000000800200000600402807,0000001000000020000634cf29e032af8b1f3fff1f,0,6,77,4,0,16,85,87,-4.08,1.8259999999999998,4,0.0,0.117878489,-,2.515,-,2.515,https://www.genome.jp/dbget-bin/www_bget?dr:D07992
2052,D00622, Fosinopril sodium (USAN)," ACE inhibitors, plain",C09AA09,CARDIOVASCULAR SYSTEM,c1cccc(c1)CCCC[P@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)O[C@@H](OC(=O)CC)C(C)C,563.663,6.0592,157.55700000000002,120.02,53,1,8,BIDNLKIUORFRQP-YPEQAXFASA-N,C30H46NO7P,CCC(=O)OC(C(C)C)OP(=O)(CC(=O)N1CC(CC1C(=O)O)C1CCCCC1)CCCCc1ccccc1,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30-,39-/m1/s1",-6.5375,-4.6845,-4.6209,-4.5248,-4.433,-4.0106,2.2893,2.3743,2.3839,2.3842,2.5012,D00622_C09AA09,21c60000004086300303060100028c0000402138000400220001008002240000188250800000c003102e56192041000101020000106040c20300100228000a100816282000500982b000a2011a80000600b0114001003009e008080000c8000000000030004900001000000081000800200e05000a0510000852000340040100,0400000c30b007,070000000000000003009800120000000000000000000000000000000000800200000600402807,0000001000000020000634cf29e032af8b1f3fff1f,0,6,77,4,0,16,85,87,-4.077,1.824,4,,0.100959711,-,2.515,-,2.515,https://www.genome.jp/dbget-bin/www_bget?dr:D00622
2053,D00383, Trandolapril (JAN/INN)," ACE inhibitors, plain",C09AA10,CARDIOVASCULAR SYSTEM,N1([C@@H]2[C@@H](C[C@H]1C(=O)O)CCCC2)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C,431.545,1.685,123.02600000000001,100.52,40,2,6,VXFJYXUZANRPDJ-WTNASJBWSA-O,C24H35N2O5+,CCOC(=O)C([NH2+]C(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/p+1/t16-,18+,19-,20-,21-/m0/s1",-5.6835,-5.664,-4.8363,-4.7648,-4.5677,-4.4753,2.4001,2.4762,2.5587,2.6766,2.965,D00383_C09AA10,00264000004002200b00060000020008010000100000000000000080000400001800500201000013100e0438200100000102000000204002000000020000821008100c00081018800320a0011a80000600b0014000203008c0080800000800000000002000000000100000008000080000070184020110000052000100000100,0500000c30f007,070040010400000000009800120000800100000000000000000000000000000000004600c02a04,000000000000010000441cce907932a7852d7fff1f,0,6,59,3,0,11,66,68,-7.812,-1.325,5,2.0,0.033822827,+,2.0728,-,2.0728,https://www.genome.jp/dbget-bin/www_bget?dr:D00383
2054,D08529, Spirapril (INN)," ACE inhibitors, plain",C09AA11,CARDIOVASCULAR SYSTEM,N1(C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc2ccccc2)C)[C@@H](CC2(C1)SCCS2)C(=O)O,467.62199999999996,1.3025,128.632,151.12,38,2,8,HRWCVUIFMSZDJS-SZMVWBNQSA-O,C22H31N2O5S2+,CCOC(=O)C([NH2+]C(C(=O)N1CC2(CC1C(=O)O)SCCS2)C)CCc1ccccc1,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/p+1/t15-,17-,18-/m0/s1",-5.676,-5.672999999999999,-4.7805,-4.7405,-4.5581,-4.4191,2.3593,2.3777,2.5792,2.7155,2.9769,D08529_C09AA11,00264103044000202b00060000020008010000100040000000000080000400001840500601030013000e0438200100400163000000004000000000020010821408100c4008101880032124111680410600b00d4000203008c0480e0200080884000000200000008010200002c00008004007118c02011020005200c100000100,0500400c30f107,030041010400004800009800120000800100000000000000000000000000000000002600c02a04,000000000800010000449dce88f9b2a7852f7eff1f,0,6,55,3,0,11,62,64,-7.947,-1.675,3,-1.0,0.00064536,-,2.1225,-,2.1225,https://www.genome.jp/dbget-bin/www_bget?dr:D08529
2055,D03765, Spirapril hydrochloride (USAN)," ACE inhibitors, plain",C09AA11,CARDIOVASCULAR SYSTEM,N1(C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc2ccccc2)C)[C@@H](CC2(C1)SCCS2)C(=O)O,467.62199999999996,1.3025,128.632,151.12,38,2,8,HRWCVUIFMSZDJS-SZMVWBNQSA-O,C22H31N2O5S2+,CCOC(=O)C([NH2+]C(C(=O)N1CC2(CC1C(=O)O)SCCS2)C)CCc1ccccc1,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/p+1/t15-,17-,18-/m0/s1",-5.6694,-5.6487,-4.8511,-4.8071,-4.6258,-4.4278,2.3906,2.4224,2.5711,2.7245,2.983,D03765_C09AA11,00264103044000202b00060000020008010000100040000000000080000400001840500601030013000e0438200100400163000000004000000000020010821408100c4008101880032124111680410600b00d4000203008c0480e0200080884000000200000008010200002c00008004007118c02011020005200c100000100,0500400c30f107,030041010400004800009800120000800100000000000000000000000000000000002600c02a04,000000000800010000449dce88f9b2a7852f7eff1f,0,6,55,3,0,11,62,64,-7.974,-1.6569999999999998,3,2.0,0.000654409,-,2.1225,-,2.1225,https://www.genome.jp/dbget-bin/www_bget?dr:D03765
2056,D07781, Delapril  (INN)," ACE inhibitors, plain",C09AA12,CARDIOVASCULAR SYSTEM,N(CC(=O)O)(C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc1ccccc1)C)C1Cc2c(cccc2)C1,453.551,1.5834,126.64299999999999,100.52,38,2,6,WOUOLAUOZXOLJQ-MBSDFSHPSA-O,C26H33N2O5+,CCOC(=O)C([NH2+]C(C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,"InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/p+1/t18-,23-/m0/s1",-5.692,-5.6801,-4.792,-4.6668,-4.6044,-4.5429,2.3294,2.4183,2.4979,2.6257,2.9314,D07781_C09AA12,00264000004000200b0006000002000c010000100000000000000080000400001800408301400013000e2038200100000102000000004000000000020002821008100e0008101880033020000280000600b0004000203008c008080080080000040000200000000000000000a000080000070184020110000052000100000100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000004200c02a04,0000000000000100004018ce987932a69dae5fff1f,0,12,53,3,0,13,66,68,-7.292999999999999,-2.041,2,0.0,0.10164284,+,1.7158,-,1.7158,https://www.genome.jp/dbget-bin/www_bget?dr:D07781
2057,D01667, Delapril hydrochloride (JAN/USAN)," ACE inhibitors, plain",C09AA12,CARDIOVASCULAR SYSTEM,N(CC(=O)O)(C(=O)[C@@H]([NH2+][C@H](C(=O)OCC)CCc1ccccc1)C)C1Cc2c(cccc2)C1,453.551,1.5834,126.64299999999999,100.52,38,2,6,WOUOLAUOZXOLJQ-MBSDFSHPSA-O,C26H33N2O5+,CCOC(=O)C([NH2+]C(C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,"InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/p+1/t18-,23-/m0/s1",-5.7582,-5.7054,-4.7485,-4.61,-4.5394,-4.5246,2.4026,2.5541,2.5762,2.6167,2.8963,D01667_C09AA12,00264000004000200b0006000002000c010000100000000000000080000400001800408301400013000e2038200100000102000000004000000000020002821008100e0008101880033020000280000600b0004000203008c008080080080000040000200000000000000000a000080000070184020110000052000100000100,0500000c30f007,030040010400000000009800120000800100000000000000000000000000000000004200c02a04,0000000000000100004018ce987932a69dae5fff1f,0,12,53,3,0,13,66,68,-7.292999999999999,-2.043,2,1.0,0.12214280699999999,+,1.7158,-,1.7158,https://www.genome.jp/dbget-bin/www_bget?dr:D01667
2058,D08225, Moexipril (INN)," ACE inhibitors, plain",C09AA13,CARDIOVASCULAR SYSTEM,c12c(C[C@H](N(C1)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C)C(=O)O)cc(c(c2)OC)OC,499.57599999999996,1.496,138.735,118.98,42,2,8,UWWDHYUMIORJTA-HSQYWUDLSA-O,C27H35N2O7+,CCOC(=O)C([NH2+]C(C(=O)N1Cc2cc(OC)c(cc2CC1C(=O)O)OC)C)CCc1ccccc1,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/p+1/t17-,21-,22-/m0/s1",-5.6933,-5.6923,-4.7696,-4.6894,-4.5073,-4.4868,2.3661,2.3688,2.4553,2.5495,2.9834,D08225_C09AA13,00264000004004200b0086000003000c0100009000403200010000c0000c00001880448341400013008e2038200102800102020008004800200000020002821008900c00891418810320202082c8000600b0004000203008c0080900800800000410002200100403000000c0a0100800000701940a0110200852804708800100,0500000c70f007,030042010400000000009800120000800100000000000000000000000000000000004600c02a04,00000000000001008044185e9a7933e785ffffff1f,0,12,58,3,0,13,71,73,-8.628,-0.985,3,-1.0,0.33910232799999995,+,2.1019,-,2.1019,https://www.genome.jp/dbget-bin/www_bget?dr:D08225
2059,D00623, Moexipril hydrochloride (USAN)," ACE inhibitors, plain",C09AA13,CARDIOVASCULAR SYSTEM,c12c(C[C@H](N(C1)C(=O)[C@@H]([NH2+][C@@H](CCc1ccccc1)C(=O)OCC)C)C(=O)O)cc(c(c2)OC)OC,499.57599999999996,1.496,138.735,118.98,42,2,8,UWWDHYUMIORJTA-HSQYWUDLSA-O,C27H35N2O7+,CCOC(=O)C([NH2+]C(C(=O)N1Cc2cc(OC)c(cc2CC1C(=O)O)OC)C)CCc1ccccc1,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/p+1/t17-,21-,22-/m0/s1",-5.7404,-5.66,-4.757,-4.7502,-4.5575,-4.5311,2.3614,2.3808,2.5069,2.7377,2.9352,D00623_C09AA13,00264000004004200b0086000003000c0100009000403200010000c0000c00001880448341400013008e2038200102800102020008004800200000020002821008900c00891418810320202082c8000600b0004000203008c0080900800800000410002200100403000000c0a0100800000701940a0110200852804708800100,0500000c70f007,030042010400000000009800120000800100000000000000000000000000000000004600c02a04,00000000000001008044185e9a7933e785ffffff1f,0,12,58,3,0,13,71,73,-8.592,-0.993,3,,0.33441993600000003,+,2.1019,-,2.1019,https://www.genome.jp/dbget-bin/www_bget?dr:D00623
2060,D08566, Temocapril (INN)," ACE inhibitors, plain",C09AA14,CARDIOVASCULAR SYSTEM,s1cccc1[C@H]1SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OCC)C(=O)N(C1)CC(=O)O,477.61699999999996,1.8836,131.06,154.06,35,2,8,FIQOFIRCTOWDOW-BJLQDIEVSA-O,C23H29N2O5S2+,CCOC(=O)C([NH2+]C1CSC(CN(C1=O)CC(=O)O)c1cccs1)CCc1ccccc1,"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/p+1/t17-,18-,20-/m0/s1",-5.7025,-5.6958,-4.5838,-4.5789,-4.5631,-4.4901,2.3611,2.3614,2.3696,2.8171,2.9993,D08566_C09AA14,0026c103004000302b0006000002000c050400104040000000000084002604061800408701020213800e2878200920400513400000404060080140020000821408500c10083018820321244016b0010680b004c000223008c0484e0280084000040000208010008000000000800008004007118c0a2d12240052004702000100,0500000c30f107,03004101140000000000980020000080010000000000c000000000000000000000000600c02a04,00000400080001200044bdce8870b2e79d6f6eff1f,0,11,49,3,0,11,61,63,-7.172000000000001,-1.851,3,1.0,0.582021832,-,2.3274,-,2.3274,https://www.genome.jp/dbget-bin/www_bget?dr:D08566
2061,D01119, Temocapril hydrochloride (JP17/USAN)," ACE inhibitors, plain",C09AA14,CARDIOVASCULAR SYSTEM,s1cccc1[C@H]1SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)OCC)C(=O)N(C1)CC(=O)O,477.61699999999996,1.8836,131.06,154.06,35,2,8,FIQOFIRCTOWDOW-BJLQDIEVSA-O,C23H29N2O5S2+,CCOC(=O)C([NH2+]C1CSC(CN(C1=O)CC(=O)O)c1cccs1)CCc1ccccc1,"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/p+1/t17-,18-,20-/m0/s1",-5.6893,-5.6871,-4.6919,-4.6177,-4.5676,-4.4061,2.3278,2.3681,2.3814,2.6741,2.9955,D01119_C09AA14,0026c103004000302b0006000002000c050400104040000000000084002604061800408701020213800e2878200920400513400000404060080140020000821408500c10083018820321244016b0010680b004c000223008c0484e0280084000040000208010008000000000800008004007118c0a2d12240052004702000100,0500000c30f107,03004101140000000000980020000080010000000000c000000000000000000000000600c02a04,00000400080001200044bdce8870b2e79d6f6eff1f,0,11,49,3,0,11,61,63,-7.172999999999999,-1.85,3,1.0,0.5820288060000001,-,2.3274,-,2.3274,https://www.genome.jp/dbget-bin/www_bget?dr:D01119
2062,D08688, Zofenopril (INN)," ACE inhibitors, plain",C09AA15,CARDIOVASCULAR SYSTEM,N1(C[C@H](C[C@H]1C(=O)O)Sc1ccccc1)C(=O)[C@@H](CSC(=O)c1ccccc1)C,429.55199999999996,3.9804,120.594,125.28,29,1,7,IAIDUHCBNLFXEF-MNEFBYGVSA-N,C22H23NO4S2,O=C(N1CC(CC1C(=O)O)Sc1ccccc1)C(CSC(=O)c1ccccc1)C,"InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1",-4.5691,-4.3805,-4.1582,-3.8983,-3.7841,-2.4383,1.6654,2.2129,2.2245,2.3744,2.3802,D08688_C09AA15,20220103024000b02100060000000000000000100040000000000080002204001d00500400038003000e0618000000c0010342000040400000010002081000140800080000000882000104411290010600b10d6000006000c1480a0200004084000000200000008010200082800008004406110808251220005b800102000100,0400000c00b103,070008002000000000008802120000000001000000000000000000000000000000000640402805,0000000000000084000495ce08681487810f2bff1f,0,12,39,3,0,9,52,54,-4.69,1.286,3,0.0,0.016817596,-,2.347,-,2.347,https://www.genome.jp/dbget-bin/www_bget?dr:D08688
2063,D03767, Zofenopril calcium (USAN)," ACE inhibitors, plain",C09AA15,CARDIOVASCULAR SYSTEM,N1(C[C@H](C[C@H]1C(=O)O)Sc1ccccc1)C(=O)[C@@H](CSC(=O)c1ccccc1)C,429.55199999999996,3.9804,120.594,125.28,29,1,7,IAIDUHCBNLFXEF-MNEFBYGVSA-N,C22H23NO4S2,O=C(N1CC(CC1C(=O)O)Sc1ccccc1)C(CSC(=O)c1ccccc1)C,"InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1",-4.6019,-4.3739,-4.1977,-3.9162,-3.7878,-2.4655,1.8119999999999998,2.2131,2.2332,2.383,2.3966,D03767_C09AA15,20220103024000b02100060000000000000000100040000000000080002204001d00500400038003000e0618000000c0010342000040400000010002081000140800080000000882000104411290010600b10d6000006000c1480a0200004084000000200000008010200082800008004406110808251220005b800102000100,0400000c00b103,070008002000000000008802120000000001000000000000000000000000000000000640402805,0000000000000084000495ce08681487810f2bff1f,0,12,39,3,0,9,52,54,-4.702,1.3030000000000002,3,-1.0,0.016846983,-,2.3369,-,2.3369,https://www.genome.jp/dbget-bin/www_bget?dr:D03767
2064,D08068, Imidapril (INN)," ACE inhibitors, plain",C09AA16,CARDIOVASCULAR SYSTEM,c1cccc(c1)CC[C@H]([NH2+][C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)C(=O)OCC,406.45300000000003,-0.2742,113.31200000000001,120.83,35,2,8,KLZWOWYOHUKJIG-BPUTZDHNSA-O,C20H28N3O6+,CCOC(=O)C([NH2+]C(C(=O)N1C(=O)N(CC1C(=O)O)C)C)CCc1ccccc1,"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/p+1/t13-,15-,16-/m0/s1",-5.6906,-5.6765,-4.837,-4.7616,-4.7323,-4.6382,2.3216,2.3915,2.5424,2.7357,2.9943,D08068_C09AA16,00064000004000200b00060000020008010000100000000000000080022401001800400283000013000e113820010200010200005000c000012000021000823008100c00081018800320200002b0000e00b0004000203008c0080a000008000008200020040000000000000080000800000f0184020110000072000110000100,0500000c30f047,030040010400000000009800000000800140040000000000000000000000000000000600c02a04,000000001000010000543cdf897ab6e7847f7eff1f,0,6,48,4,0,11,57,58,-7.843,-1.855,3,1.0,0.004200110999999999,-,1.838,-,1.838,https://www.genome.jp/dbget-bin/www_bget?dr:D08068
2065,D01549, Imidapril hydrochloride (JP17)," ACE inhibitors, plain",C09AA16,CARDIOVASCULAR SYSTEM,c1cccc(c1)CC[C@H]([NH2+][C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)C(=O)OCC,406.45300000000003,-0.2742,113.31200000000001,120.83,35,2,8,KLZWOWYOHUKJIG-BPUTZDHNSA-O,C20H28N3O6+,CCOC(=O)C([NH2+]C(C(=O)N1C(=O)N(CC1C(=O)O)C)C)CCc1ccccc1,"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/p+1/t13-,15-,16-/m0/s1",-5.7571,-5.6608,-4.8652,-4.831,-4.6516,-4.6449,2.4307,2.5631,2.7109,2.9365,2.9444,D01549_C09AA16,00064000004000200b00060000020008010000100000000000000080022401001800400283000013000e113820010200010200005000c000012000021000823008100c00081018800320200002b0000e00b0004000203008c0080a000008000008200020040000000000000080000800000f0184020110000072000110000100,0500000c30f047,030040010400000000009800000000800140040000000000000000000000000000000600c02a04,000000001000010000543cdf897ab6e7847f7eff1f,0,6,48,4,0,11,57,58,-7.8420000000000005,-1.854,3,0.0,0.004093904000000001,-,1.838,-,1.838,https://www.genome.jp/dbget-bin/www_bget?dr:D01549
2066,D08146, Losartan (INN)," Angiotensin II antagonists, plain",C09CA01,CARDIOVASCULAR SYSTEM,n1(c(nc(c1CO)Cl)CCCC)Cc1ccc(cc1)c1c(c2[nH]nnn2)cccc1,422.911,4.2668,117.10799999999999,92.51,28,2,6,PSIFNNKUMBGKDQ-UHFFFAOYSA-N,C22H23ClN6O,CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CO)Cl,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",-3.1696,-2.0851,-1.4879,-1.3486,-1.2316,-1.212,0.9169,1.1474,1.1933,1.2637,1.3653,D08146_C09CA01,0204022884220cc00808c60004400004c010000000000410000320c00010040014444081408000310081001800110680010001500800480400080007008002000c200c08800003a002003000881800860098004208800000d018041000034080001108000400000108800208400008001006011000155040191280050aa00100,0000001c00b001,031800000000000000000000000000040000000000049c00000000000000000000000600403800,000000002000082031d456e44954ae8b27a76dbd1f,0,22,34,0,0,8,53,56,-9.271,-0.9009999999999999,0,0.0,0.9279558659999999,+,175.2406,-,175.2406,https://www.genome.jp/dbget-bin/www_bget?dr:D08146
2067,D00357, Losartan potassium (JP17/USAN)," Angiotensin II antagonists, plain",C09CA01,CARDIOVASCULAR SYSTEM,n1(c(nc(c1CO)Cl)CCCC)Cc1ccc(cc1)c1c(c2[nH]nnn2)cccc1,422.911,4.2668,117.10799999999999,92.51,27,2,6,PSIFNNKUMBGKDQ-UHFFFAOYSA-N,C22H23ClN6O,CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CO)Cl,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",-3.1756,-2.0989,-1.4839,-1.3528,-1.2338,-1.2142,0.9187,1.1357,1.2006,1.2521,1.3695,D00357_C09CA01,0204022884220cc00808c60004400004c010000000000410000320c00010040014444081408000310081001800110680010001500800480400080007008002000c200c08800003a002003000881800860098004208800000d018041000034080001108000400000108800208400008001006011000155040191280050aa00100,0000001c00b001,031800000000000000000000000000040000000000049c00000000000000000000000600403800,000000002000082031d456e44954ae8b27a76dbd1f,0,22,34,0,0,8,53,56,-5.531000000000001,2.282,0,-1.0,0.012774091999999999,+,175.2177,-,175.2177,https://www.genome.jp/dbget-bin/www_bget?dr:D00357
2068,D04040, Eprosartan (USAN/INN)," Angiotensin II antagonists, plain",C09CA02,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)Cn1c(cnc1CCCC)/C=C(\Cc1cccs1)/C(=O)O)C(=O)O,424.51300000000003,4.7444,118.163,120.66,27,2,7,OROAFUQRIXKEMV-LDADJPATSA-N,C23H24N2O4S,CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",-4.8996,-4.8739,-4.3996,-4.2848,-1.8176,-1.3527,1.224,1.2429,2.3733,2.4523,2.4539,D04040_C09CA02,1204c12084000ccc0a08c680040001848496000081004080000000c6001844031404418140802021a08a0a580009008007080140180049000800300e028000104c000c0082300300000010009098008c809800c008823000d038f8180409808100150008a302008100409004450008001006055200151008000a80014a010100,0400000c00b003,13000000000000000000880000000000000100000000d800000000000000000000000640407800,0000000028000200015c95820c40ae8785ad2eff1f,0,16,37,3,0,10,54,56,-2.55,4.641,0,1.0,2.7851e-06,+,1.9148,-,1.9148,https://www.genome.jp/dbget-bin/www_bget?dr:D04040
2069,D02082, Eprosartan mesylate (USAN)," Angiotensin II antagonists, plain",C09CA02,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)Cn1c(cnc1CCCC)/C=C(\Cc1cccs1)/C(=O)O)C(=O)O,424.51300000000003,4.7444,118.163,120.66,27,2,7,OROAFUQRIXKEMV-LDADJPATSA-N,C23H24N2O4S,CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",-4.8979,-4.731,-4.467,-4.36,-1.8031,-1.4768,1.295,1.3045,2.3813,2.4044,2.4501,D02082_C09CA02,1204c12084000ccc0a08c680040001848496000081004080000000c6001844031404418140802021a08a0a580009008007080140180049000800300e028000104c000c0082300300000010009098008c809800c008823000d038f8180409808100150008a302008100409004450008001006055200151008000a80014a010100,0400000c00b003,13000000000000000000880000000000000100000000d800000000000000000000000640407800,0000000028000200015c95820c40ae8785ad2eff1f,0,16,37,3,0,10,54,56,-2.553,4.648,0,2.0,2.79129e-06,+,1.9148,-,1.9148,https://www.genome.jp/dbget-bin/www_bget?dr:D02082
2070,D00400, Valsartan (JP17/USAN/INN)," Angiotensin II antagonists, plain",C09CA03,CARDIOVASCULAR SYSTEM,c1cccc(c1c1[nH]nnn1)c1ccc(cc1)CN([C@H](C(=O)O)C(C)C)C(=O)CCCC,435.519,4.1617,122.954,112.07,35,2,7,ACWBQPMHZXGDFX-QFIPXVFZSA-N,C24H29N5O3,CCCCC(=O)N(C(C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",-4.6771,-4.4585,-3.8164,-3.7266,-2.7077,-2.4541,1.6277,1.9553,2.1928,2.3798,2.3913,D00400_C09CA03,00220008004204a001000600044100004000009000000010000020c0000000001840500000800013008e001800010680010200100000400400080002000002100c200800000408a0000020008288008600b0014000802000c0080000000100000010082204000000080002088000000000060100000110401950800108a00100,0400000c00b003,070000000000000000008800120000000000000000009400000000000000000000000600403805,000000002000082031d214ec0868be8f8fb57fff1f,0,17,44,2,0,11,61,63,-5.121,1.112,1,1.0,0.019911836999999998,+,7.2728,-,7.2728,https://www.genome.jp/dbget-bin/www_bget?dr:D00400
2071,D00523, Irbesartan (JP17/USAN/INN)," Angiotensin II antagonists, plain",C09CA04,CARDIOVASCULAR SYSTEM,c1cccc(c1c1nnn[nH]1)c1ccc(cc1)CN1C(=O)C2([NH]=C1CCCC)CCCC2,429.537,4.3651,133.687,98.62,35,2,5,NSUKSCJLCGRUHO-UHFFFAOYSA-N,C25H29N6O,CCCCC1=[NH]C2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CCCC2,"InChI=1S/C25H29N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14,26H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",-6.5196,-5.8822,-5.1394,-5.0943,-4.8253,-4.513,2.1523,2.5588,3.2386,3.4964,3.7753,D00523_C09CA04,00220008000204a0018006011441000a4000009400004150000022c080000000184850021180001090860438010127800102021000a0110400080002000802000c20180000040020082020008a8c108400b0014010802110d30c01200003000000300822040001100800020800000000000e0904400130401910800142200100,0400000000b001,030040010000000000008000000000000000000000009400000000000000000000002600403801,000000002000082033f414ee89e1fecb07e16daf1f,0,17,46,2,0,7,61,65,-11.879000000000001,-5.16,0,,0.403223395,+,2.6527,-,2.6527,https://www.genome.jp/dbget-bin/www_bget?dr:D00523
2072,D06010, Tasosartan (USAN/INN)," Angiotensin II antagonists, plain",C09CA05,CARDIOVASCULAR SYSTEM,C(c1ccc(cc1)c1c(cccc1)c1nnn[nH]1)N1C(=O)CCc2c1nc(nc2C)C,411.459,3.4849,120.06,100.55,28,1,7,ADXGNEYLLLSOAR-UHFFFAOYSA-N,C23H21N7O,Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)C(=O)CC2,"InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)",-3.8349,-3.1745,-3.1697,-2.8364,-2.8114,-2.0866,1.2768,1.4217,1.482,1.6977,1.7916,D06010_C09CA05,e0030028801204e0090046000c410800c010009010000010810020c1001004001841440040c0813000a6041800011684010220500800400400480002008806000c200c0200040220008830008288008400d8004024a03820d0080800000940100018182204b00003484002082002002510068d18000110401908800002200100,04000000003001,030000000000000000008000200000010000000000009400000000000000000000004600403801,000000002000082031d414a81b69b8cb4be17daf1f,0,23,32,1,0,4,52,56,-9.546,-0.68,0,-1.0,0.860892415,+,2.1895,-,2.1895,https://www.genome.jp/dbget-bin/www_bget?dr:D06010
2073,D00522, Candesartan (USAN/INN)," Angiotensin II antagonists, plain",C09CA06,CARDIOVASCULAR SYSTEM,c12n(c(nc1cccc2C(=O)O)OCC)Cc1ccc(cc1)c1c(c2[nH]nnn2)cccc1,440.454,4.0286,122.348,118.81,26,2,8,HTQMVQVXFRQIKW-UHFFFAOYSA-N,C24H20N6O3,CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)c(ccc2)C(=O)O,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",-4.383,-4.3388,-1.871,-1.551,-1.359,-1.3469,0.9208,1.0415,1.1527,1.1938,2.4082,D00522_C09CA06,a004200c00020cc00800460004420005402000104000005000002080000024000c40408141808031708a0618400106c0000004500000600404080082000102100c201c02c003006000006000a0980080008001400c800401c00800000003500004d008000400000008c1020850000c801006050004010040191a800102200000,0400000c50b003,010002000000000000008800000000004003100000009c00000000000000000000004640403800,000000003000082031d414a0193393ef06e76bff1f,0,27,29,1,0,7,53,57,-4.791,1.6780000000000002,0,,0.010564601000000002,+,581.6646,-,581.6646,https://www.genome.jp/dbget-bin/www_bget?dr:D00522
2074,D00626, Candesartan cilexetil (JP17/USAN)," Angiotensin II antagonists, plain",C09CA06,CARDIOVASCULAR SYSTEM,c12n(c(nc1cccc2C(=O)O[C@@H](OC(=O)OC1CCCCC1)C)OCC)Cc1ccc(cc1)c1c(c2[nH]nnn2)cccc1,610.66,6.3191,165.769,143.34,44,1,11,GHOSNRCGJFBJIB-NRFANRHFSA-N,C33H34N6O6,CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C,"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)/t21-/m0/s1",-5.481,-4.2301,-4.1864,-4.0232,-2.8483,-2.3765,1.4841,1.5051,1.5873,1.6555,2.1342,D00626_C09CA06,a004200c00022cc00a004600044200054020003440000850002020c0000424001c40508141808031708a0718400106c00100045000a0614604080882010182100c203c02c00300600000e100a0980080008001400c80040de00800000003701004f008080408000008c1020850000c88100f050004010040191a800102200000,04000000703005,03000200000000000000900000000000404b100000009c00000000000000000000004640403804,004000003000082031d414a11933b3ef8bebffff1f,0,27,55,2,0,13,79,84,-9.235,-0.498,1,0.0,0.982425511,+,583.6638,-,583.6638,https://www.genome.jp/dbget-bin/www_bget?dr:D00626
2075,D00627, Telmisartan (JP17/USAN/INN)," Angiotensin II antagonists, plain",C09CA07,CARDIOVASCULAR SYSTEM,c1cccc(c1C(=O)O)c1ccc(cc1)Cn1c2c(nc1CCC)c(cc(c2)c1n(C)c2c(n1)cccc2)C,514.617,7.2644,157.412,72.94,33,1,6,RMMXLENWKUUMAY-UHFFFAOYSA-N,C33H30N4O2,CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",-4.4897,-4.407,-2.061,-1.3744,-1.3445,-0.8679,0.5645,0.6052,0.7127,0.7596,2.4678,D00627_C09CA07,a004002004080cc0080cc6000c4040044000000040000000000000c0000004001404508141008831308a0238080010c0050041500800680404208006000002000c000c02c00003200080600080980082008881400c801001d018001000015080001008000000000000c0000061000c001006051000151000010a80000ae00008,0400000c00b003,030000000000000000008800000000000001000000009800000000000000000000004640403800,0000000020000020015414901841a68701b53dff1f,0,32,41,1,0,7,69,74,-4.9639999999999995,1.215,0,0.0,0.56168282,+,2.9314,-,2.9314,https://www.genome.jp/dbget-bin/www_bget?dr:D00627
2076,D01204, Olmesartan medoxomil (JP17/USAN)," Angiotensin II antagonists, plain",C09CA08,CARDIOVASCULAR SYSTEM,Cc1c(oc(=O)o1)COC(=O)c1c(C(C)(C)O)nc(n1Cc1ccc(cc1)c1c(cccc1)c1nnn[nH]1)CCC,558.585,4.17,148.32299999999998,162.16,38,2,11,UQGKUQLKSCSZGY-UHFFFAOYSA-N,C29H30N6O6,CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C,"InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)",-5.8456,-5.2226,-3.8728,-3.1451,-2.3927,-2.0621,1.5796,1.6173,1.7131,1.9869999999999999,2.0301,D01204_C09CA08,0806082ca4420cc0090cc60005420807401000381020081400ca22c1400404001c45608144e000b1408b0018000106840124415008005904000a0887088002080c200e488008032000203120a09c008200a8086228810820d2180c5080434090041008000420100008844208510008041806011001151840191280810aa01100,0400004c30b005,03480000000000000000900000000000404900000000bd00000000000000000000000640403800,0040000020000821b3d614e109d2afef8fffffff1f,0,27,46,2,0,11,71,75,-9.636000000000001,-0.846,0,,0.9468601940000001,+,38.0551,-,38.0551,https://www.genome.jp/dbget-bin/www_bget?dr:D01204
2077,D08067, Azilsartan medoxomil (USAN)," Angiotensin II antagonists, plain",C09CA09,CARDIOVASCULAR SYSTEM,c12n(c(nc1cccc2C(=O)OCc1c(oc(=O)o1)C)OCC)Cc1ccc(cc1)c1c(c2[nH]c(=O)o[nH]2)cccc1,569.5409999999999,4.9194,150.832,158.49,31,2,10,YRRZTMIANXWUQZ-UHFFFAOYSA-N,C30H25N4O8,CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)[nH]1)c(ccc2)C(=O)OCc1oc(=O)oc1C,"InChI=1S/C30H25N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14,33H,3,15-16H2,1-2H3,(H,32,36)",-6.147,-5.8327,-5.2795,-5.1317,-5.0455,-4.2612,1.7768,1.8107,2.0427,2.6006,3.3981,D08067_C09CA09,a8062804a0400cc00900460005430007402000ba4060284400600280400424001c00608161208031708e0618400002c004a444500000790c04220882090106181c001c4ac00b066001206120209c008200a809600c802c01c208001080c3501004f02002000090000cc1400051000c80100e0510050108c0111a808102a01000,0500000070f005,01000200000000000300900000000000404b10000000b900000000000000000000004640c03a04,0040c00030042121d15414e139339bef8cebfbff1f,0,27,43,3,0,10,68,73,-11.097999999999999,-6.249,0,0.0,0.788810432,+,5.0751,-,5.0751,https://www.genome.jp/dbget-bin/www_bget?dr:D08067
2078,D08865, Azilsartan kamedoxomil (USAN)," Angiotensin II antagonists, plain",C09CA09,CARDIOVASCULAR SYSTEM,c12n(c(nc1cccc2C(=O)OCc1c(oc(=O)o1)C)OCC)Cc1ccc(cc1)c1c(c2[nH]c(=O)o[nH]2)cccc1,569.5409999999999,4.9194,150.832,158.49,30,2,10,YRRZTMIANXWUQZ-UHFFFAOYSA-N,C30H25N4O8,CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)[nH]1)c(ccc2)C(=O)OCc1oc(=O)oc1C,"InChI=1S/C30H25N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14,33H,3,15-16H2,1-2H3,(H,32,36)",-6.2072,-5.8013,-5.2773,-5.1354,-5.0567,-4.2788,1.8196,1.8946,2.1811,2.6632,3.4769,D08865_C09CA09,a8062804a0400cc00900460005430007402000ba4060284400600280400424001c00608161208031708e0618400002c004a444500000790c04220882090106181c001c4ac00b066001206120209c008200a809600c802c01c208001080c3501004f02002000090000cc1400051000c80100e0510050108c0111a808102a01000,0500000070f005,01000200000000000300900000000000404b10000000b900000000000000000000004640c03a04,0040c00030042121d15414e139339bef8cebfbff1f,0,27,43,3,0,10,68,73,-12.04,-11.171,0,-1.0,0.745978832,+,5.0473,-,5.0473,https://www.genome.jp/dbget-bin/www_bget?dr:D08865
2079,D09038, Remikiren (INN), Renin-inhibitors,C09XA01,CARDIOVASCULAR SYSTEM,[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)(CC1CCCCC1)[C@@H]([C@@H](C1CC1)O)O,630.8380000000001,4.9588,171.703,169.86,59,5,9,UXIGZRQVLGFTOU-JOFXVPDFSA-N,C33H50N4O6S,O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,"InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29-,30+/m1/s1",-7.0936,-6.9684,-4.3604,-4.3292,-3.8298,-3.8215,2.2384,2.3842,2.4296,2.5819,2.6314,D09038_C09XA01,20260121004002603b0046000400000c000100100000000000020080011a040c18005412810300271306b438000d0060010240401860c0020000000e000000140c000c0000001a81002894010280010600b8055000a03028c04a0900800940040c0000202020000000000000c002080450069105000112000072000502000004,0400002c00b101,0728000000010000000080000a0000000000000000009400800000000000000000000600402805,000020000000741a87d385cea1e0b8898f3ddfff1f,0,11,82,4,0,18,94,97,-9.666,-1.145,5,1.0,0.939258158,+,4.2675,-,4.2675,https://www.genome.jp/dbget-bin/www_bget?dr:D09038
2080,D03208, Aliskiren (USAN/INN), Renin-inhibitors,C09XA02,CARDIOVASCULAR SYSTEM,c1c(cc(c(c1)OC)OCCCOC)C[C@@H](C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)[NH3+])C(C)C,552.766,3.6679,157.2,147.75,62,4,8,UXOWGYHJODZGMF-QORCZRPOSA-O,C30H54N3O6+,COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C(CC(C(=O)NCC(C(=O)N)(C)C)C(C)C)O)[NH3+],"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/p+1/t22-,23-,24-,25-/m0/s1",-5.3863,-5.3832,-5.3668,-4.729,-4.3499,-4.2456,1.8024,1.8107,2.7118,2.8348,2.9506,D03208_C09XA02,402e0000000002001b0006000202000000000010000012000000008000100000180050020000000330060818000100000102020010204801010000020000000008a00802010000018000a0201ac0800c0090014000003008c00908010008100000000020000004020000004200101800000621000a0110200814004300000504,0500002c70f001,0fa8c20004000000000080000e0000000000000000000000000000000000000000000200c02a04,000000000000310082822a5f89f83de08dfef6ff1f,0,6,85,2,0,20,93,93,-10.797,-3.725,4,,0.125135735,-,2.7644,-,2.7644,https://www.genome.jp/dbget-bin/www_bget?dr:D03208
2081,D06412, Aliskiren fumarate (JAN/USAN), Renin-inhibitors,C09XA02,CARDIOVASCULAR SYSTEM,c1c(cc(c(c1)OC)OCCCOC)C[C@@H](C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)[NH3+])C(C)C,552.766,3.6679,157.2,147.75,62,4,8,UXOWGYHJODZGMF-QORCZRPOSA-O,C30H54N3O6+,COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C(CC(C(=O)NCC(C(=O)N)(C)C)C(C)C)O)[NH3+],"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/p+1/t22-,23-,24-,25-/m0/s1",-5.3889,-5.385,-5.3642,-5.088,-4.3406,-4.1869,1.7745,1.7851,2.1896,2.2579,2.6517,D06412_C09XA02,402e0000000002001b0006000202000000000010000012000000008000100000180050020000000330060818000100000102020010204801010000020000000008a00802010000018000a0201ac0800c0090014000003008c00908010008100000000020000004020000004200101800000621000a0110200814004300000504,0500002c70f001,0fa8c20004000000000080000e0000000000000000000000000000000000000000000200c02a04,000000000000310082822a5f89f83de08dfef6ff1f,0,6,85,2,0,20,93,93,-10.724,-3.4819999999999998,4,1.0,0.125342801,-,2.7644,-,2.7644,https://www.genome.jp/dbget-bin/www_bget?dr:D06412
2082,D00434, Simvastatin (JP17/USP/INN), HMG CoA reductase inhibitors,C10AA01,CARDIOVASCULAR SYSTEM,[C@H]12[C@@H](OC(=O)C(CC)(C)C)C[C@H](C=C1C=C[C@@H]([C@@H]2CC[C@H]1OC(=O)C[C@@H](C1)O)C)C,418.566,4.5856,118.471,72.83,43,1,5,RYMZZMVNJRMUDD-HGQWONQESA-N,C25H38O5,CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)(C)C,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",-4.3631,-4.0864,-3.0252,-2.9979,-2.0079,-1.9169999999999998,1.0994,1.1895,1.297,1.4732,1.565,D00434_C10AA01,00000000000002240a00000000020000000000800062400000000000000420001200000000a00001001a00002000000001a000008020400120000000000082000c10080004040000000080002880021400900040000200000800100100000000020400000000000001000000400008c000030180000900000000048140000100,0400002c30a005,1f280000000000000000b000000000000000000000000000000000000000000000004440432805,0000000200000201020a000596892ee4895db7d61c,0,0,66,4,0,7,68,70,-8.977,-0.035,7,1.0,0.481206775,+,1.8057,-,1.8057,https://www.genome.jp/dbget-bin/www_bget?dr:D00434
2083,D00359, Lovastatin (USP/INN), HMG CoA reductase inhibitors,C10AA02,CARDIOVASCULAR SYSTEM,[C@H]12[C@@H](OC(=O)[C@H](CC)C)C[C@H](C=C1C=C[C@@H]([C@@H]2CC[C@H]1OC(=O)C[C@@H](C1)O)C)C,404.54,4.1955,113.92399999999999,72.83,41,1,5,PCZOHLXUXFIOCF-BXMDZJJMSA-N,C24H36O5,CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",-4.4185,-4.4105,-3.0073,-2.9857,-1.9252,-1.7444,1.0853,1.0853,1.1173,1.1874,1.5325,D00359_C10AA02,00000000000002240a00000000020000000000800062400000000000000420001200000000a00001001a00002000000001a000008020400120000000000082000c10080004040000000080002880021400900040000200000800100100000000020400000000000001000000400008c000030180000900000000048140000100,0400002c30a005,17280000000000000000b000000000000000000000000000000000000000000000004440432805,00000002000002010008000596092ee4895db7d61c,0,0,63,4,0,7,65,67,-8.929,0.006999999999999999,8,-4.0,0.437327057,-,1.5233,-,1.5233,https://www.genome.jp/dbget-bin/www_bget?dr:D00359
2084,D08410, Pravastatin (INN), HMG CoA reductase inhibitors,C10AA03,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]([C@H](C=CC2=C[C@H](C[C@@H]1OC(=O)[C@H](CC)C)O)C)CC[C@H](C[C@H](CC(=O)O)O)O,424.528,2.4404,114.041,124.29,42,4,7,TUZYXOIXSAXUGO-PZAWKZKUSA-N,C23H36O7,CCC(C(=O)OC1CC(O)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)C,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",-4.5784,-4.4906,-4.4248,-2.968,-2.886,-2.1677,1.5267,1.5627,1.7807,2.3906,2.4506,D08410_C10AA03,00000000000002240a00000000020000000000800062400000040000001420001200000000a04001001a00002000000001a000009020400120000000000082000c100800040400000000820228800214009000400002000008001001000000000204002800000000010000004000084000030180000900000000048140000100,0400002c30a007,172800000000000000009800000000000000000000000000000000000000000000004040432805,00000002000012000008000794092ee48d5cb7d61c,0,0,63,4,0,11,66,67,-4.09,1.482,8,-3.0,0.000448075,-,1.4469999999999998,-,1.4469999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D08410
2085,D00893, Pravastatin sodium (JP17/USAN), HMG CoA reductase inhibitors,C10AA03,CARDIOVASCULAR SYSTEM,[C@H]12[C@H]([C@H](C=CC2=C[C@H](C[C@@H]1OC(=O)[C@H](CC)C)O)C)CC[C@H](C[C@H](CC(=O)O)O)O,424.528,2.4404,114.041,124.29,42,4,7,TUZYXOIXSAXUGO-PZAWKZKUSA-N,C23H36O7,CCC(C(=O)OC1CC(O)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)C,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",-4.5798,-4.4118,-4.3814,-2.9965,-2.8749,-2.235,1.5377,1.6656,1.7464,2.3877,2.4551,D00893_C10AA03,00000000000002240a00000000020000000000800062400000040000001420001200000000a04001001a00002000000001a000009020400120000000000082000c100800040400000000820228800214009000400002000008001001000000000204002800000000010000004000084000030180000900000000048140000100,0400002c30a007,172800000000000000009800000000000000000000000000000000000000000000004040432805,00000002000012000008000794092ee48d5cb7d61c,0,0,63,4,0,11,66,67,-4.773,1.746,8,1.0,0.00042023099999999997,-,1.4248,-,1.4248,https://www.genome.jp/dbget-bin/www_bget?dr:D00893
2086,D07983, Fluvastatin (INN), HMG CoA reductase inhibitors,C10AA04,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)c1c2c(n(c1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C(C)C)cccc2)F,411.466,4.6281,116.429,82.69,29,3,5,FJLGEFLZQAZZCD-JUFISIKESA-N,C24H26FNO4,OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1",-4.6496,-4.3403,-2.8882,-2.2369,-1.8985,-1.8501,1.2357,1.4749,1.5387,2.0811,2.373,D07983_C10AA04,20028000000204244080068004404000418600d000624008000008c2011004011800518020808031188a02180800104001201000182060050400808a000402004c000c82420402210090e0022888021c0090016084000000c00810000400000008040008a00000801820100420108c2210060112000310000108008102200900,0400002c00b003,132800000000000000008800000000000000000000088800000000000000000000004640432804,000000000002102001065485940500072c8dbbfe1f,1,16,40,2,0,8,56,58,-4.462,1.875,2,0.0,0.0061013659999999996,+,2.0734,-,2.0734,https://www.genome.jp/dbget-bin/www_bget?dr:D07983
2087,D00892, Fluvastatin sodium (JAN/USAN), HMG CoA reductase inhibitors,C10AA04,CARDIOVASCULAR SYSTEM,c1(ccc(cc1)c1c2c(n(c1/C=C/[C@H](C[C@@H](CC(=O)O)O)O)C(C)C)cccc2)F,411.466,4.6281,116.429,82.69,29,3,5,FJLGEFLZQAZZCD-VVZAMHAXSA-N,C24H26FNO4,OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19+/m1/s1",-4.5294,-4.4976,-2.9785,-2.8652,-2.208,-1.9022,1.2313,1.3532,1.3892,2.3731,2.4271,D00892_C10AA04,20028000000204244080068004404000418600d000624008000008c2011004011800518020808031188a02180800104001201000182060050400808a000402004c000c82420402210090e0022888021c0090016084000000c00810000400000008040008a00000801820100420108c2210060112000310000108008102200900,0400002c00b003,132800000000000000008800000000000000000000088800000000000000000000004640432804,000000000002102001065485940500072c8dbbfe1f,1,16,40,2,0,8,56,58,-4.462,1.8719999999999999,2,,0.006101453000000001,+,2.0646,-,2.0646,https://www.genome.jp/dbget-bin/www_bget?dr:D00892
2088,D07474, Atorvastatin (INN), HMG CoA reductase inhibitors,C10AA05,CARDIOVASCULAR SYSTEM,c1(c(n(c(c1C(=O)Nc1ccccc1)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F)c1ccccc1,558.64,6.3866,158.256,111.79,40,4,7,XUKUURHRXDUEBC-KAYWLYCHSA-N,C33H35FN2O5,OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",-4.8916,-4.5551,-4.4909,-4.0029,-2.1542,-1.9333,1.8605,1.8619999999999999,1.9526,2.1561,2.3918,D07474_C10AA05,200600a0208a0a804384260004c10010c110009008020008800008c0014004001c05500020608131508e0618000012c1030050100020e00d04308082088006000c000c88c00002200090b003a890001400d8816084802801d008881000014000441008200040001018a00004200088211006011202011000015880010a600118,0400002c00b003,0728000000000000000088000a0000004003000000088800000000000000000000000640403804,00000000000210200186548f896c3087fdadffff1f,1,23,54,2,0,13,76,79,-4.21,1.249,2,0.0,0.360201538,+,8.3801,-,8.3801,https://www.genome.jp/dbget-bin/www_bget?dr:D07474
2089,D00887, Atorvastatin calcium (USAN), HMG CoA reductase inhibitors,C10AA05,CARDIOVASCULAR SYSTEM,c1(c(c(n(c1c1ccc(cc1)F)CC[C@@H](O)C[C@H](CC(=O)O)O)C(C)C)C(=O)Nc1ccccc1)c1ccccc1,558.64,6.3866,158.256,111.79,40,4,7,XUKUURHRXDUEBC-KAYWLYCHSA-N,C33H35FN2O5,OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",-4.5407,-4.3754,-4.327,-4.2782,-2.9112,-2.3397,1.5978,1.9293,2.0334,2.0846,2.6354,D00887_C10AA05,200600a0208a0a804384260004c10010c110009008020008800008c0014004001c05500020608131508e0618000012c1030050100020e00d04308082088006000c000c88c00002200090b003a890001400d8816084802801d008881000014000441008200040001018a00004200088211006011202011000015880010a600118,0400002c00b003,0728000000000000000088000a0000004003000000088800000000000000000000000640403804,00000000000210200186548f896c3087fdadffff1f,1,23,54,2,0,13,76,79,-5.062,1.5590000000000002,2,,0.49291575,+,8.3709,-,8.3709,https://www.genome.jp/dbget-bin/www_bget?dr:D00887
2090,D02258, Atorvastatin calcium hydrate (JP17), HMG CoA reductase inhibitors,C10AA05,CARDIOVASCULAR SYSTEM,c1(c(c(n(c1c1ccc(cc1)F)CC[C@@H](O)C[C@H](CC(=O)O)O)C(C)C)C(=O)Nc1ccccc1)c1ccccc1,558.64,6.3866,158.256,111.79,40,4,7,XUKUURHRXDUEBC-KAYWLYCHSA-N,C33H35FN2O5,OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",-4.8468,-4.7942,-4.3866,-4.0994,-2.9102,-2.3898,1.9021,1.9797,2.1335,2.3369,2.4703,D02258_C10AA05,200600a0208a0a804384260004c10010c110009008020008800008c0014004001c05500020608131508e0618000012c1030050100020e00d04308082088006000c000c88c00002200090b003a890001400d8816084802801d008881000014000441008200040001018a00004200088211006011202011000015880010a600118,0400002c00b003,0728000000000000000088000a0000004003000000088800000000000000000000000640403804,00000000000210200186548f896c3087fdadffff1f,1,23,54,2,0,13,76,79,-5.062,1.561,2,0.0,0.492744058,+,8.3709,-,8.3709,https://www.genome.jp/dbget-bin/www_bget?dr:D02258
2091,D07661, Cerivastatin (INN), HMG CoA reductase inhibitors,C10AA06,CARDIOVASCULAR SYSTEM,c1(c(c(nc(c1COC)C(C)C)C(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F,459.55,4.8807,127.87,99.88,39,3,6,SEERZIQQUAZTOL-ANMDKAQQSA-N,C26H34FNO5,COCc1c(c2ccc(cc2)F)c(C=CC(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C,"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1",-4.6466,-4.171,-2.907,-2.345,-2.1398,-1.9136,1.3130000000000002,1.4712,1.4942,1.9414,2.3541,D07661_C10AA06,22068020040000e40280220005424800411000c04060408880220080001004011c00400020c08031408a020808001041032010401820610504100002008402000e004c0a020402200090a102a88802960098806084800008502858000001001000040000000200901044000025108c221002051200431000010800810aa00900,0400002c30b003,17a800000000000000008800000000000000000000089000000000000000000000000640432804,000000000002102001026015871c04252c9db3df1f,1,12,54,2,0,11,67,68,-4.102,1.4680000000000002,2,1.0,0.037147895,-,2.1068,-,2.1068,https://www.genome.jp/dbget-bin/www_bget?dr:D07661
2092,D00889, Cerivastatin sodium (JAN/USAN), HMG CoA reductase inhibitors,C10AA06,CARDIOVASCULAR SYSTEM,c1(c(c(nc(c1COC)C(C)C)C(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F,459.55,4.8807,127.87,99.88,39,3,6,SEERZIQQUAZTOL-ANMDKAQQSA-N,C26H34FNO5,COCc1c(c2ccc(cc2)F)c(C=CC(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C,"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1",-4.5586,-4.5327,-2.8489999999999998,-2.4092,-2.0948,-1.9212,1.3355,1.476,1.7882,2.3826,2.3999,D00889_C10AA06,22068020040000e40280220005424800411000c04060408880220080001004011c00400020c08031408a020808001041032010401820610504100002008402000e004c0a020402200090a102a88802960098806084800008502858000001001000040000000200901044000025108c221002051200431000010800810aa00900,0400002c30b003,17a800000000000000008800000000000000000000089000000000000000000000000640432804,000000000002102001026015871c04252c9db3df1f,1,12,54,2,0,11,67,68,-4.104,1.473,2,,0.037112571000000004,-,1.3882,-,1.3882,https://www.genome.jp/dbget-bin/www_bget?dr:D00889
2093,D08492, Rosuvastatin (INN), HMG CoA reductase inhibitors,C10AA07,CARDIOVASCULAR SYSTEM,c1(nc(nc(c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F,481.538,3.4825,123.398,149.3,36,3,9,BPRHUIZQVSMCRT-VEUZHWNKSA-N,C22H28FN3O6S,OC(CC(CC(=O)O)O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",-8.6409,-8.5691,-7.8781,-5.7973,-5.4935,-5.4913,2.5167,2.5610000000000004,2.5618,2.6293,2.6701,D08492_C10AA07,e002812000080064028846000c4000006d0000840040608080020081003004011801400064e88031003a620e080010000360b0401020400500700002000002000e000c00020c02a00110b002288002160098006084a0200040281c00800100020004080000220080104000000400882710063542800110800108088102a00900,0400002c00b003,172800000000000000008800000000000000000000089000000024000000000000000640433805,000000810102543a0593c135a786900ffebdbbfe1f,1,12,46,4,0,10,61,62,-4.99,0.126,2,2.0,0.004878197,+,1.4401,-,1.4401,https://www.genome.jp/dbget-bin/www_bget?dr:D08492
2094,D01915, Rosuvastatin calcium (JAN/USAN), HMG CoA reductase inhibitors,C10AA07,CARDIOVASCULAR SYSTEM,c1(nc(nc(c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F,481.538,3.4825,123.398,149.3,36,3,9,BPRHUIZQVSMCRT-VEUZHWNKSA-N,C22H28FN3O6S,OC(CC(CC(=O)O)O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",-8.6277,-8.5621,-7.8619,-5.7802,-5.4933,-5.4738,2.5077,2.5541,2.5692,2.64,2.6455,D01915_C10AA07,e002812000080064028846000c4000006d0000840040608080020081003004011801400064e88031003a620e080010000360b0401020400500700002000002000e000c00020c02a00110b002288002160098006084a0200040281c00800100020004080000220080104000000400882710063542800110800108088102a00900,0400002c00b003,172800000000000000008800000000000000000000089000000024000000000000000640433805,000000810102543a0593c135a786900ffebdbbfe1f,1,12,46,4,0,10,61,62,-4.9910000000000005,0.126,2,,0.004880769,+,1.4075,-,1.4075,https://www.genome.jp/dbget-bin/www_bget?dr:D01915
2095,D01862, Pitavastatin calcium (JAN), HMG CoA reductase inhibitors,C10AA08,CARDIOVASCULAR SYSTEM,c1ccc2c(c1)c(c(c(n2)C1CC1)/C=C/[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F,421.461,4.5181,117.824,90.65,28,3,5,VGYFMXBACGZSIL-MCBHFWOFSA-N,C25H24FNO4,OC(CC(C=Cc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1",-4.6493,-4.2805,-2.8762,-2.246,-2.0882,-2.0515,1.5295,1.942,2.0696,2.3442,2.3958,D01862_C10AA08,20068020000004240280820004404000410000c04060408881000080001004011800408020c08031088a020808011040032010001820600504100006000402000e004c02420402200090e003288802940090806084801008402818000008000000040000800000801020000024108c221002011200431000010800810a200900,0400002c00b003,162800000000000000008800000000000000000000089000000000000000000000004640432804,000020000002102001004005960500052c8da75e1f,1,17,39,2,0,8,55,58,-4.217,0.583,2,1.0,0.019254783,-,1.7407,-,1.7407,https://www.genome.jp/dbget-bin/www_bget?dr:D01862
2096,D00279, Clofibrate (JP17/USP/INN), Fibrates,C10AB01,CARDIOVASCULAR SYSTEM,c1(OC(C(=O)OCC)(C)C)ccc(cc1)Cl,242.699,3.0605,63.302,35.53,18,0,3,KNHUKKLJHYUCFP-UHFFFAOYSA-N,C12H15ClO3,CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",-4.3787,-2.9985,-1.3329,-1.2394,-1.209,-1.1278,0.5846,0.7558,0.8333,1.1158,1.5324,D00279_C10AB01,00000200000000000000020000020000200080000800100000000000002400001000000800000005000b000820000000000002000200000000040080000002000800080001002001000000000680800200d800400000040040080000002000004000000000000002000000000010000000020100080000200800000000800004,04000000703005,010002000000000000009000000000000000000000040000000000000000000000000200402000,000000000000000082024000409c0364205092d71e,0,6,24,1,0,5,31,31,-9.4,0.198,0,,0.139268994,+,0.2358,-,0.2358,https://www.genome.jp/dbget-bin/www_bget?dr:D00279
2097,D06102, Theofibrate (USAN), Fibrates,C10AB01,CARDIOVASCULAR SYSTEM,c1(OC(C(=O)OCCn2cnc3c2c(=O)n(c(=O)n3C)C)(C)C)ccc(cc1)Cl,420.847,1.4879,108.42,97.35,27,0,9,KYAKGJDISSNVPZ-UHFFFAOYSA-N,C19H21ClN4O5,Clc1ccc(cc1)OC(C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C)(C)C,"InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3",-4.8268,-4.5618,-4.4068,-3.0788,-3.0121,-2.9909,1.4948,1.4987,1.5111,1.5436,2.0862,D06102_C10AB01,80020200000008c000004600004200003000840008021060000020c0002404101400300c41008027400b0018200100800000020002004010008408800000a2000c800d0081102801000048000690800200d800400c80040ce008008000214006400000000080000200c1000040100800000701820c0208a0081880002a800004,04000000703005,010002000000000000009000200000004042040000049900000000000000000000004640403000,000000003000000083d654d95bffb167a8fbbfff1f,0,16,33,3,0,7,50,52,-9.476,-0.449,0,1.0,0.156543478,+,1.8523,-,1.8523,https://www.genome.jp/dbget-bin/www_bget?dr:D06102
2098,D01366, Bezafibrate (JP17/USAN/INN), Fibrates,C10AB02,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C)Cl,361.819,3.9454,96.465,75.63,24,2,5,IIBYAHWJQTYFKB-UHFFFAOYSA-N,C19H20ClNO4,Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",-4.5464,-4.4168,-4.0986,-3.8565,-3.6358,-2.1875,1.2857,1.379,2.0986,2.3661,2.443,D01366_C10AB02,00060200000004a003000600000300040000808008001600000000c0002000001c00408900000005008f221800000000000202000000000000000082000000000800080001042001000000004688800200d800400000240840080800800000000410000200000402000000000010000000060100080110200818000000800004,0400000c50b003,0300020000000000000088000a0000000001000000040000000000000000000000000240402800,000000000000000082024208c8e43164a44cd7ff1f,0,12,32,2,0,8,45,46,-4.627,0.7709999999999999,0,,0.001225942,+,0.6344,-,0.6344,https://www.genome.jp/dbget-bin/www_bget?dr:D01366
2099,D00334, Gemfibrozil (JAN/USP/INN), Fibrates,C10AB04,CARDIOVASCULAR SYSTEM,c1cc(c(cc1C)OCCCC(C(=O)O)(C)C)C,250.333,3.5732,73.2198,46.53,24,1,3,HEMJJKBWTPKOJG-UHFFFAOYSA-N,C15H22O3,Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",-4.5769,-4.3961,-1.3316,-1.0209,-0.6424,-0.503,0.3782,0.5212,0.5556,0.5903,2.3878,D00334_C10AB04,00000000000000000000020000030000000000000000000000000080000000001000400000000001000a0008000000000102020000004800008000220000800008200800010000118000000222808004009000400000000040080000000100000000000000000002000000020010080000030100080100200800004100000104,0400000c50b003,0b0002000000000000008800000000000000000000000000000000000000000000000200402800,00000000000000000202000600982d6408d4b6d71e,0,6,33,1,0,6,40,40,-4.387,2.353,0,,0.000142971,-,0.3266,-,0.3266,https://www.genome.jp/dbget-bin/www_bget?dr:D00334
2100,D00565, Fenofibrate (JAN/INN), Fibrates,C10AB05,CARDIOVASCULAR SYSTEM,c1(C(=O)c2ccc(cc2)Cl)ccc(cc1)OC(C(=O)OC(C)C)(C)C,360.83099999999996,4.68,97.9835,52.6,25,0,4,YMTINGFKWWXKFG-UHFFFAOYSA-N,C20H21ClO4,CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",-4.4185,-2.9944,-2.6423,-1.3153,-1.2396,-1.2085,0.6077,0.6783,0.9604,1.1178,1.5448,D00565_C10AB05,000402000000008002000200800200002000804008001600000000a0002400001400400800000005000b020820000000000002000200000000000082000002000800080001002001000000002680800200d800400000040840080800002000004000000100000402000000000010000000020100090100200808000000800004,14000000703005,010002000000010000009000000000000001000000040000000000000000000000000240402000,00000000000000008202400040840164a05893d21e,0,12,33,2,0,7,46,47,-10.067,-0.7440000000000001,0,1.0,0.6795054079999999,+,0.7075,-,0.7075,https://www.genome.jp/dbget-bin/www_bget?dr:D00565
2101,D01212, Simfibrate (JAN/INN), Fibrates,C10AB06,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC(C(=O)OCCCOC(=O)C(Oc1ccc(cc1)Cl)(C)C)(C)C)Cl,469.355,5.4849,119.68299999999999,71.06,32,0,6,JLRNKCZRCMIVKA-UHFFFAOYSA-N,C23H26Cl2O6,O=C(C(Oc1ccc(cc1)Cl)(C)C)OCCCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,"InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3",-4.4434,-4.2536,-3.052,-2.9619,-1.3766,-1.3259999999999998,1.1011,1.1221,1.5331,1.5434,2.0451,D01212_C10AB06,00000200000000000800020000020000200080000800100000000000002400001000000800000005000b001820000000000002000200000100040080000002000880080001002001000000000680800200d800400000040040080001002000004000000000000002000000004010000000020100080100200800000040800004,04000000703005,030002000000000000009000000000000000000000040000000000000000000000000200402000,000000000000000082024001409c2164a85a97d71e,0,12,44,2,0,12,57,58,-9.52,-0.092,0,,0.900048435,+,1.6376,-,1.6376,https://www.genome.jp/dbget-bin/www_bget?dr:D01212
2102,D07186, Ronifibrate (INN), Fibrates,C10AB07,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC(C(=O)OCCCOC(=O)c1cnccc1)(C)C)Cl,377.819,3.6827,96.7045,74.72,26,0,6,AYJVGKWCGIYEAK-UHFFFAOYSA-N,C19H20ClNO5,Clc1ccc(cc1)OC(C(=O)OCCCOC(=O)c1cccnc1)(C)C,"InChI=1S/C19H20ClNO5/c1-19(2,26-16-8-6-15(20)7-9-16)18(23)25-12-4-11-24-17(22)14-5-3-10-21-13-14/h3,5-10,13H,4,11-12H2,1-2H3",-4.4117,-4.3935,-2.9492,-2.8355,-1.4939,-1.1798,1.0668,1.0703,1.2101,1.5509,1.5604,D07186_C10AB07,00000202000000c00800020000024004200080000800180800200000002404001c00400800008025408b0418200000c0000002000200210104040082000002000c800c0201002001000001000688800200d800400400040040080001002100104000000000000002004000005010040010020100084100200808800042800004,04000000703005,030002000000000000009000000000004001000000049000000000000000000000000640402000,000000000000000083024001439c2165a84b97d71f,0,12,33,2,0,10,46,47,-9.455,-0.6509999999999999,0,1.0,0.56649977,+,0.8542,-,0.8542,https://www.genome.jp/dbget-bin/www_bget?dr:D07186
2103,D03521, Ciprofibrate (USAN/INN), Fibrates,C10AB08,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC(C(=O)O)(C)C)[C@@H]1C(C1)(Cl)Cl,289.154,3.5898,71.2608,46.53,16,1,3,KPSRODZRAIWAKH-SNVBAGLBSA-N,C13H14Cl2O3,OC(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C,"InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1",-4.5588,-4.3673,-1.3617,-1.3317,-1.3039,-1.232,0.8187,1.0045,1.2037,2.0903,2.3656,D03521_C10AB08,00048200000000000200020000020000000080000800120000000088400000001000400880000005000b000800010000010002000000000080000082000000100800080001002001000000010280800000d001400000140840080800000800000000000000000402000000000010000000020100080100200800000008000204,0400000c50b003,870002000000000000008800000000000000000000000000000000000000000000000200402804,000020000000002082024000408401642044b2d21e,0,6,26,1,0,4,32,33,-4.61,1.881,1,,0.000114004,+,1.8928,-,1.8928,https://www.genome.jp/dbget-bin/www_bget?dr:D03521
2104,D07187, Etofibrate (INN), Fibrates,C10AB09,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC(C(=O)OCCOC(=O)c1cccnc1)(C)C)Cl,363.792,3.2926,91.8975,74.72,24,0,6,XXRVYAFBUDSLJX-UHFFFAOYSA-N,C18H18ClNO5,Clc1ccc(cc1)OC(C(=O)OCCOC(=O)c1cccnc1)(C)C,"InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",-4.4179,-4.2666,-2.9981,-2.9023,-1.5089,-1.3496,1.0927,1.1302,1.1668,1.5322,1.5425,D07187_C10AB09,00000200000000c00000020000024004200080000800180800200000002404001c00400800008025408b0408200000c0000002000200210004040082000002000c800e0201002001000001000688800200d800400400040040080000002100104000000000000002004000001010040010020100084500a00808800002800004,04000000703005,010002000000000000009000000000004001000000049000000000000000000000000640402000,000000000000000083024000439c2165a84b97d71f,0,12,30,2,0,9,43,44,-9.432,-0.7040000000000001,0,1.0,0.46015003299999996,+,0.8006,-,0.8006,https://www.genome.jp/dbget-bin/www_bget?dr:D07187
2105,D07188, Clofibride (INN), Fibrates,C10AB10,CARDIOVASCULAR SYSTEM,c1c(ccc(c1)OC(C(=O)OCCCC(=O)N(C)C)(C)C)Cl,327.80300000000005,2.909,85.626,55.84,27,0,5,CXQGFLBVUNUQIA-UHFFFAOYSA-N,C16H22ClNO4,CN(C(=O)CCCOC(=O)C(Oc1ccc(cc1)Cl)(C)C)C,"InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3",-4.2542,-3.8702,-3.84,-2.9717,-1.9876,-1.9658,1.0006,1.0051,1.0957,1.5084,2.0164,D07188_C10AB10,000a0200000000000300060000020000200080100802100000000000002400001000000800000005000f001820000000010002000200400000050080000002000890080001002001000000000680800600d8004000002400c0080000002000004000000000000002000000000010100000070100080110200800000040800404,0400000070b005,030002000000000000009000120000000000000000040000000000000000000000000200402801,00000000000000008202701840fc3966a8589eff1f,0,6,36,2,0,9,44,44,-9.365,0.239,0,0.0,0.206169665,+,0.6173,-,0.6173,https://www.genome.jp/dbget-bin/www_bget?dr:D07188
2106,D08890, Choline fenofibrate (USAN/INN), Fibrates,C10AB11,CARDIOVASCULAR SYSTEM,c1(C(=O)c2ccc(cc2)Cl)ccc(cc1)OC(C(=O)O)(C)C,318.752,3.813,84.0493,63.6,18,1,4,MQOBSOSZFYZQOK-UHFFFAOYSA-N,C17H15ClO4,Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",-4.5553,-4.4557,-2.653,-1.3385,-1.2993,-1.296,0.8001,0.9902,1.1322,2.0669999999999997,2.3844,D08890_C10AB11,000402000000008002000200800200000000804008001600000000a0002000001400400800000005000b020800000000000002000000000000000082000000000800080001002001000000002680800200d800400000040840080800000000000000000100000402000000000010000000020100090100200808000000800004,1400000c50b003,010002000000010000008800000000000001000000040000000000000000000000000240402800,00000000000000008202400040840164a04c93d21e,0,12,24,2,0,5,37,38,-4.756,1.156,0,0.0,0.00042822199999999997,+,0.4925,-,0.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D08890
2107,D01754, Niceritrol (JP17/INN), Nicotinic acid and derivatives,C10AD01,CARDIOVASCULAR SYSTEM,c1ncc(cc1)C(=O)OCC(COC(=O)c1cnccc1)(COC(=O)c1cnccc1)COC(=O)c1cnccc1,556.523,2.9808,140.27100000000002,156.76,36,0,12,KUEUWHJGRZKESU-UHFFFAOYSA-N,C29H24N4O8,O=C(c1cccnc1)OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1,"InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2",-4.5056,-4.295,-4.2731,-4.2597,-2.8962,-2.8954,1.5338,1.5717,1.5879,1.6258,1.7790000000000001,D01754_C10AD01,00000002000000c00800020000024004000000000000080800200000000404001c00400000008021408a0418200000c0000000000000210104000002000002000c000c02000000000000010000880000008000400400000040000001000100100000000000000000004000005010040010020100004100000008800002000000,04000000303005,080000000000000000009000000000004001000000009000000000000000000000000640402000,00000000000000000300000103908025802b03571f,0,24,40,4,0,16,65,68,-10.472000000000001,-0.789,0,,0.87069732,+,3.3926,-,3.3926,https://www.genome.jp/dbget-bin/www_bget?dr:D01754
2108,D07189, Nicofuranose (INN), Nicotinic acid and derivatives,C10AD03,CARDIOVASCULAR SYSTEM,[C@H]1([C@H]([C@@H]([C@](O1)(COC(=O)c1cccnc1)O)OC(=O)c1cccnc1)OC(=O)c1cnccc1)COC(=O)c1cnccc1,600.5319999999999,1.819,145.509,186.22,38,1,14,FUWFSXZKBMCSKF-ZASNTINBSA-N,C30H24N4O10,O=C(c1cccnc1)OC1C(COC(=O)c2cccnc2)OC(C1OC(=O)c1cccnc1)(O)COC(=O)c1cccnc1,"InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1",-4.3225,-4.2719,-4.2669,-4.2542,-3.8517,-3.1832,1.5461,1.6061,1.6181,1.6745,1.6923,D07189_C10AD03,00000002000080c00a00020000024004200000200000080800200000000404001c00400800008025408a0418200000c0010000000020611104000002000082000c902e020000080000008102008800000080004004000000600000010021001040000000002800000040000050102c0010038100084500800008800102000000,0400020c30b005,00000000000000410000900000000000400100000000900000000000000000000000067f402004,000000000000000181000485839080e5886fa3571f,0,24,44,4,0,14,68,72,-10.509,-1.14,4,0.0,0.7273164390000001,+,4.2202,-,4.2202,https://www.genome.jp/dbget-bin/www_bget?dr:D07189
2109,D07190, Acipimox (INN/BAN), Nicotinic acid and derivatives,C10AD06,CARDIOVASCULAR SYSTEM,c1(cn(c(cn1)C)O)C(=O)O,155.131,0.4081,36.102,75.35,9,2,4,SFCUIZYPDBXMKY-UHFFFAOYSA-N,C6H7N2O3,Cc1cnc(cn1O)C(=O)O,"InChI=1S/C6H7N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,7,11)(H,9,10)",-4.5617,-4.5505,-4.4164,-3.4339999999999997,-2.8837,-2.4179,2.145,2.3149,2.3680000000000003,2.4336,2.6149,D07190_C10AD06,000240000040000000000400000000080000000000000000000000000110000010000002a1000003000a00300000000000020c005000800008000000000000101800080000001880012000001280000a003000400000200000000000000000000000000000000000000000008000000000040004000010401000000000000000,0500000c00e003,010040010000000000008800000000100000000000000000400000000000000000000400c02a04,001080000000310050440266ab408c4f0d676afb1d,0,0,22,1,0,1,23,23,-5.19,2.715,0,-1.0,1.96165e-06,-,0.1897,-,0.1897,https://www.genome.jp/dbget-bin/www_bget?dr:D07190
2110,D03750, Dextrothyroxine sodium (USAN), Other lipid modifying agents,C10AX01,CARDIOVASCULAR SYSTEM,c1(Oc2c(cc(cc2I)C[C@H](C(=O)O)[NH3+])I)cc(c(c(c1)I)O)I,777.878,3.8405,126.166,94.4,15,3,4,XUIIKFGFIJCVMT-GFCCVEGCSA-O,C15H12I4NO4+,OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)[NH3+],"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/p+1/t12-/m1/s1",-5.3814,-5.3649,-5.3511,-4.5975,-4.5676,-4.4044,1.7819,2.1857,2.3424,2.3602,2.5416,D03750_C10AX01,000400020004200002000600000200040000200000001a0000000080000800001000408140000003002a001840014100010002000821400000000002000000005800080001000801002000024280000400b000480000100840080800000800004000000000000402080000000010000000060100080130a00800004600100000,0500000c92f003,0200c4000400000000008800000000100000000000210000000000000000000000000200c02a04,0000000400002100000040428044016424cce37e1f,0,12,24,1,0,5,36,37,-9.089,-1.2429999999999999,1,,0.039987996,+,0.3575,-,0.3575,https://www.genome.jp/dbget-bin/www_bget?dr:D03750
2111,D00476, Probucol (JP17/USP/INN), Other lipid modifying agents,C10AX02,CARDIOVASCULAR SYSTEM,C(c1c(c(C(C)(C)C)cc(c1)SC(Sc1cc(C(C)(C)C)c(c(c1)C(C)(C)C)O)(C)C)O)(C)(C)C,516.842,9.9083,160.183,91.06,52,2,4,FYPMFJGVHOHGLL-UHFFFAOYSA-N,C31H48O2S2,CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",-1.1795,-1.1686,-0.5385,-0.5189,-0.4642,-0.4635,0.4548,0.4593,0.4608,0.4624,0.4668,D00476_C10AX02,2004010001020010020002000000000000008000008000000000008000000000194040002000800000000008000000880000020000040000000000020800000408200800800000000000041002200000408000600000400840480800000080000002000000800002000001004100000000021100004102200842800000000000,0000400402b101,090008000000004800000000000000000000000000010000000000000000000000000200402000,0000000000000084020281000080014004d4b1d01e,0,12,72,0,0,8,83,84,-8.288,-0.012,0,,0.993934333,-,5.3876,-,5.3876,https://www.genome.jp/dbget-bin/www_bget?dr:D00476
2112,D07191, Tiadenol (INN), Other lipid modifying agents,C10AX03,CARDIOVASCULAR SYSTEM,OCCSCCCCCCCCCCSCCO,294.517,3.5582,86.9176,91.06,34,2,4,WRCITXQNXAIKLR-UHFFFAOYSA-N,C14H30O2S2,OCCSCCCCCCCCCCSCCO,"InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2",-1.9266,-1.9243,-1.0108,-1.0021,-0.9208,-0.9208,0.6063,0.6072,0.8290000000000001,0.8338,1.4228,D07191_C10AX03,0000010500000200200000000000000000000000000000001000000000800000100020000003000000000000000000400100000000200000000000000000000408000800000000000000040000000100000002400010000000400000000020040000000000000000000000000000000000001000000000000000000100000000,0000001c00a100,021801001000000000000000000000000000000000000000000000000000000000000000402000,00000000000000000000a204801020800d06045508,0,0,47,0,0,15,48,47,-8.658999999999999,0.41100000000000003,0,-3.0,,-,2.8161,-,2.8161,https://www.genome.jp/dbget-bin/www_bget?dr:D07191
2113,D04897, Meglutol (USAN/INN), Other lipid modifying agents,C10AX05,CARDIOVASCULAR SYSTEM,OC(=O)CC(CC(=O)O)(C)O,162.141,-0.3132,35.6994,94.83,13,3,5,NPOAOTPXWNWTSH-UHFFFAOYSA-N,C6H10O5,OC(=O)CC(CC(=O)O)(O)C,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",-4.5723,-4.5633,-4.4423,-4.4278,-2.8808,-2.1973,2.0767,2.366,2.3747,2.3971,2.412,D04897_C10AX05,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000004001000000000000000008000800000000000000000220800014001000400000000000000200000000000000000000000000000000000000080000000000000000000000000100000100,0400004c00a002,034800000000000000008800000000000000000000000000000000000000000000000000402800,000000000000100002000005808004048c0c82d608,0,0,18,2,0,4,21,20,-1.4409999999999998,10.234,0,-1.0,,+,0.5599,-,0.5599,https://www.genome.jp/dbget-bin/www_bget?dr:D04897
2114,D01966, Ezetimibe (JAN/USAN/INN), Other lipid modifying agents,C10AX09,CARDIOVASCULAR SYSTEM,[C@H]1([C@H](C(=O)N1c1ccc(cc1)F)CC[C@@H](c1ccc(cc1)F)O)c1ccc(cc1)O,409.425,4.9533,112.973,60.77,25,2,4,OLNTVTPDXPETLC-XPWALMASSA-N,C24H21F2NO3,Oc1ccc(cc1)C1C(CCC(c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",-3.8931,-2.905,-2.4613,-1.3107,-1.1814,-0.8241,0.703,0.7585,1.1718,1.25,1.3165,D01966_C10AX09,00060000000006600b800600028100008100009000003200000000c000080000180050000020012130860418000110c00102320018204008800200020000040008000c00410402000010b0012a88000c00d0015004003808c0080800000900000010002200000002106000000000082100060102020110200812800102400100,0400002c02b001,062800000000000000008000200000000000000000090000000000000000000000000600402805,80040000000200200004500a812431437c45af7e1f,2,18,35,1,0,6,51,54,-9.19,-0.042,3,0.0,0.7926703690000001,-,2.2679,-,2.2679,https://www.genome.jp/dbget-bin/www_bget?dr:D01966
2115,D09637, Lomitapide (USAN/INN), Other lipid modifying agents,C10AX12,CARDIOVASCULAR SYSTEM,c12c(c3c(C1(C(=O)NCC(F)(F)F)CCCC[N@@H+]1CC[C@@H](CC1)NC(=O)c1c(cccc1)c1ccc(cc1)C(F)(F)F)cccc3)cccc2,694.7280000000001,9.316,184.264,62.64,42,3,4,MBBCVAKAJPKAKM-UHFFFAOYSA-O,C39H38F6N3O2+,O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CC[NH+](CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2,"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)/p+1",-6.0434,-4.5985,-4.56,-4.5584,-4.3001,-4.1867,1.9780000000000002,2.1538,2.3295,2.6260000000000003,2.6824,D09637_C10AX12,00260000002014a01304060082410006400000d000410000010100e0000080001c0070813040001010862a1800030200010240100020000400000002000202000000000020040060000060010a8800050090015000003008f009089080094000001000230004000040a00000200002000006019002011000011c000100200108,0500000000f001,0a01400204000000000080000a0000000001000000000000000000000000000000004640e02a04,00000000000211200284328e9ae73083b5a36d6f1f,6,24,67,2,0,14,88,93,-11.249,-3.847,0,0.0,0.9785144929999999,-,4.9678,-,4.9678,https://www.genome.jp/dbget-bin/www_bget?dr:D09637
2116,D09638, Lomitapide mesylate (USAN), Other lipid modifying agents,C10AX12,CARDIOVASCULAR SYSTEM,c12c(c3c(C1(C(=O)NCC(F)(F)F)CCCC[N@@H+]1CC[C@@H](CC1)NC(=O)c1c(cccc1)c1ccc(cc1)C(F)(F)F)cccc3)cccc2,694.7280000000001,9.316,184.264,62.64,42,3,4,MBBCVAKAJPKAKM-UHFFFAOYSA-O,C39H38F6N3O2+,O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CC[NH+](CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2,"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)/p+1",-6.0467,-4.5876,-4.5635,-4.5488,-4.343,-4.2613,2.0774,2.1891,2.351,2.6251,2.6591,D09638_C10AX12,00260000002014a01304060082410006400000d000410000010100e0000080001c0070813040001010862a1800030200010240100020000400000002000202000000000020040060000060010a8800050090015000003008f009089080094000001000230004000040a00000200002000006019002011000011c000100200108,0500000000f001,0a01400204000000000080000a0000000001000000000000000000000000000000004640e02a04,00000000000211200284328e9ae73083b5a36d6f1f,6,24,67,2,0,14,88,93,-11.255,-3.8560000000000003,0,-1.0,0.9782503840000001,-,4.9678,-,4.9678,https://www.genome.jp/dbget-bin/www_bget?dr:D09638
2117,D01458, Variotin (JAN), Antibiotics,D01AA04,DERMATOLOGICALS,O[C@@H](/C=C(/C=C/C=C/C(=O)N1CCCC1=O)\C)CCCC,291.385,2.6831,88.6698,57.61,29,1,4,ZYPGADGCNXOUJP-CXVPHVKISA-N,C17H25NO3,CCCCC(C=C(C=CC=CC(=O)N1CCCC1=O)C)O,"InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1",-4.0969,-3.8252,-2.8734,-2.6668,-2.4432,-1.641,1.0892,1.1994,1.2396,1.4501,1.4922,D01458_D01AA04,000280020000802c01000c0000000000000100900040480000000000001000001a000000008040410006041000000200010200009020490000010000000000200c000800000400000000032002800204001000400000240080001000000000010004002000001000110000000000084000040000000010000090040100040200,0400002c00a001,132800000000000000008000400000000001000000000000000000000000000000000440437805,0000000000000200000c148f8c683e438945beff19,0,0,41,5,0,8,46,46,-8.953,-1.1909999999999998,1,,0.20500266600000003,+,0.9279,-,0.9279,https://www.genome.jp/dbget-bin/www_bget?dr:D01458
2118,D01094, Pyrrolnitrin (JP17/USAN/INN), Antibiotics,D01AA07,DERMATOLOGICALS,c1(c[nH]cc1Cl)c1c(c(ccc1)Cl)[N](=O)O,258.08099999999996,4.3113,63.4902,65.45,9,2,0,YJKKWEVYVMSPJX-UHFFFAOYSA-N,C10H7Cl2N2O2,Clc1c[nH]cc1c1cccc(c1[N](=O)O)Cl,"InChI=1S/C10H7Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H,(H,15,16)",-5.2777,-4.3367,-1.6408,-0.8064,-0.7391,-0.6302,0.5866,0.5992,0.6292,0.7886,2.0777,D01094_D01AA07,20004204000a000000000600004001004000000000020008800668c007280400088140000000803000810208000112400020000008002004002000062000060014000480400112a00000000084000106008800600400000460080000000000140000402400080004080002240000000010028101000100001008000002a00100,0100000000f001,000000000000000000000000000000000000000000048400000000000000000000000640c02a00,0000800000008160710044a06004400b76a568681f,0,11,12,1,0,2,23,24,-9.575,-1.139,0,0.0,0.7242898940000001,+,0.7176,-,0.7176,https://www.genome.jp/dbget-bin/www_bget?dr:D01094
2119,D00209, Griseofulvin (JAN/USP/INN), Antibiotics,D01AA08,DERMATOLOGICALS,c1c(c(c2c(c1OC)C(=O)[C@]1(O2)[C@@H](CC(=O)C=C1OC)C)Cl)OC,352.76599999999996,2.8103,86.5855,71.06,23,0,6,DDUHZTYCFQRHIY-RBHXEPJQSA-N,C17H17ClO6,COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",-3.3049,-2.84,-1.7091,-1.5874,-1.0256,-1.0243,0.7758,0.8364,0.9002,1.0102,1.1652,D00209_D01AA08,10040300000002a402480300024301000000808008585204008c00c00030200014045408408000058003020800010400010802001220c506248500a20000800818200800290424930000a0002e80829660d90040000014484a881a005028000142860008c00004460008220240100800000371000b0181202808000501900504,14000000703001,070002000000010000020000000000004001000000040000000000000000000000006640406805,00000000000000018208449154850560a8d9b3d21e,0,6,34,3,0,3,41,43,-9.596,-0.7140000000000001,2,,0.272916734,+,1.6341,-,1.6341,https://www.genome.jp/dbget-bin/www_bget?dr:D00209
2120,D00209, Griseofulvin (JAN/USP/INN), Antifungals for systemic use,D01BA01,DERMATOLOGICALS,c1c(c(c2c(c1OC)C(=O)[C@]1(O2)[C@@H](CC(=O)C=C1OC)C)Cl)OC,352.76599999999996,2.8103,86.5855,71.06,23,0,6,DDUHZTYCFQRHIY-RBHXEPJQSA-N,C17H17ClO6,COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",-3.3057,-2.8381,-1.7096,-1.588,-1.0262,-1.025,0.7912,0.836,0.9011,1.0164,1.1644,D00209_D01BA01,10040300000002a402480300024301000000808008585204008c00c00030200014045408408000058003020800010400010802001220c506248500a20000800818200800290424930000a0002e80829660d90040000014484a881a005028000142860008c00004460008220240100800000371000b0181202808000501900504,14000000703001,070002000000010000020000000000004001000000040000000000000000000000006640406805,00000000000000018208449154850560a8d9b3d21e,0,6,34,3,0,3,41,43,-9.596,-0.7140000000000001,2,,0.272916734,+,1.6341,-,1.6341,https://www.genome.jp/dbget-bin/www_bget?dr:D00209
2121,D03936, Econazole (USAN/INN), Imidazole and triazole derivatives,D01AC03,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,381.684,5.8014,98.19200000000001,27.05,17,0,3,LEZWWPYKPKIXLL-SFHVURJKSA-N,C18H15Cl3N2O,Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-2.3837,-2.3634,-0.8526,-0.7756,-0.6035,-0.5816,0.4838,0.5243,0.79,1.01,1.0753,D03936_D01AC03,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.482999999999999,-0.447,1,1.0,0.93358624,+,0.6831,+,0.6831,https://www.genome.jp/dbget-bin/www_bget?dr:D03936
2122,D03936, Econazole (USAN/INN), Imidazole derivatives,G01AF05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,381.684,5.8014,98.19200000000001,27.05,17,0,3,LEZWWPYKPKIXLL-SFHVURJKSA-N,C18H15Cl3N2O,Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-2.399,-2.3528,-0.8253,-0.7657,-0.7273,-0.597,0.5183,0.588,1.0073,1.0293,1.0523,D03936_G01AF05,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.482999999999999,-0.447,1,1.0,0.93358624,+,0.6831,+,0.6831,https://www.genome.jp/dbget-bin/www_bget?dr:D03936
2123,D00881, Econazole nitrate (JAN/USP), Imidazole and triazole derivatives,D01AC03,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,381.684,5.8014,98.19200000000001,27.05,17,0,3,LEZWWPYKPKIXLL-SFHVURJKSA-N,C18H15Cl3N2O,Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-2.3908,-2.3704,-0.8629,-0.7786,-0.6021,-0.58,0.4852,0.5199,0.8065,1.0132,1.0796,D00881_D01AC03,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.476,-0.449,1,1.0,0.9335844520000001,+,0.6831,+,0.6831,https://www.genome.jp/dbget-bin/www_bget?dr:D00881
2124,D00881, Econazole nitrate (JAN/USP), Imidazole derivatives,G01AF05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,381.684,5.8014,98.19200000000001,27.05,17,0,3,LEZWWPYKPKIXLL-SFHVURJKSA-N,C18H15Cl3N2O,Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-2.3733,-2.3599,-0.8488,-0.7876,-0.6011,-0.5770000000000001,0.4808,0.5065,0.7949,1.0079,1.0706,D00881_G01AF05,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.476,-0.449,1,1.0,0.9335844520000001,+,0.6831,+,0.6831,https://www.genome.jp/dbget-bin/www_bget?dr:D00881
2125,D02557, Chlormidazole (INN), Imidazole and triazole derivatives,D01AC04,DERMATOLOGICALS,c1ccc2c(c1)n(c(n2)C)Cc1ccc(cc1)Cl,256.73,4.0464,75.458,17.82,14,0,2,WNAQOLSMVPFGTE-UHFFFAOYSA-N,C15H13ClN2,Clc1ccc(cc1)Cn1c(C)nc2c1cccc2,"InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3",-1.3496,-0.8968,-0.5893,-0.5451,-0.4338,-0.3565,0.3274,0.336,0.3386,0.3622,0.4871,D02557_D01AC04,8004020000000c4008084600040000040000000000000400000000c000200000000040814100802130810018000000c00000000000006800000000020000000004000c02c00002000000400044180002008801400c800001c01800000001108000100000000000000040000060000c0000060110000110000002800002800000,00000000003001,010000000000000000000000000000000000000000049800000000000000000000004600403000,0000000020000000015454805805880320a129ad17,0,16,17,0,0,2,31,33,-8.978,-0.266,0,0.0,0.526892245,+,0.4877,-,0.4877,https://www.genome.jp/dbget-bin/www_bget?dr:D02557
2126,D07676, Chlormidazole hydrochloride, Imidazole and triazole derivatives,D01AC04,DERMATOLOGICALS,c1ccc2c(c1)n(c(n2)C)Cc1ccc(cc1)Cl,256.73,4.0464,75.458,17.82,14,0,2,WNAQOLSMVPFGTE-UHFFFAOYSA-N,C15H13ClN2,Clc1ccc(cc1)Cn1c(C)nc2c1cccc2,"InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3",-1.3502,-0.8962,-0.5901,-0.5455,-0.4344,-0.3564,0.3276,0.3351,0.3387,0.36200000000000004,0.4876,D07676_D01AC04,8004020000000c4008084600040000040000000000000400000000c000200000000040814100802130810018000000c00000000000006800000000020000000004000c02c00002000000400044180002008801400c800001c01800000001108000100000000000000040000060000c0000060110000110000002800002800000,00000000003001,010000000000000000000000000000000000000000049800000000000000000000004600403000,0000000020000000015454805805880320a129ad17,0,16,17,0,0,2,31,33,-8.988999999999999,-0.258,0,0.0,0.526963532,+,0.4877,-,0.4877,https://www.genome.jp/dbget-bin/www_bget?dr:D07676
2127,D04624, Isoconazole (USAN/INN), Imidazole and triazole derivatives,D01AC05,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2c(cccc2Cl)Cl)c(cc(cc1)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,MPIPASJGOJYODL-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3847,-2.3736,-0.8515,-0.799,-0.6017,-0.5797,0.4834,0.5039,0.8092,1.01,1.0836,D04624_D01AC05,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.419,-0.364,1,,0.976415575,+,0.7609,+,0.7609,https://www.genome.jp/dbget-bin/www_bget?dr:D04624
2128,D04624, Isoconazole (USAN/INN), Imidazole derivatives,G01AF07,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2c(cccc2Cl)Cl)c(cc(cc1)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,MPIPASJGOJYODL-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3641,-2.3557,-0.8373,-0.7095,-0.6034,-0.578,0.4813,0.6935,0.8418,1.0,1.0269,D04624_G01AF07,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.419,-0.364,1,,0.976415575,+,0.7609,+,0.7609,https://www.genome.jp/dbget-bin/www_bget?dr:D04624
2129,D01480, Isoconazole nitrate (JAN), Imidazole and triazole derivatives,D01AC05,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2c(cccc2Cl)Cl)c(cc(cc1)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,MPIPASJGOJYODL-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3847,-2.3602,-0.8354,-0.7744,-0.6165,-0.5979,0.47600000000000003,0.5719,1.0046,1.0529,1.075,D01480_D01AC05,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.421,-0.364,1,1.0,0.97641784,+,0.7609,+,0.7609,https://www.genome.jp/dbget-bin/www_bget?dr:D01480
2130,D01480, Isoconazole nitrate (JAN), Imidazole derivatives,G01AF07,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2c(cccc2Cl)Cl)c(cc(cc1)Cl)Cl,416.129,6.4548,103.20200000000001,27.05,16,0,3,MPIPASJGOJYODL-SFHVURJKSA-N,C18H14Cl4N2O,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1c(Cl)cccc1Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m0/s1",-2.3532,-2.3498,-0.8447,-0.7222,-0.6151,-0.5833,0.4849,0.52,0.7624,1.0116,1.013,D01480_G01AF07,00040200000008400a004600000200043000000000020c00002200800024000010004085000000232001001808140080000000000000401000020002001020000c800c028010000000048900a41000020089014008900008c0080800000110000040000000000000204000005000080000060180000100800002000002800000,00000000303001,008000000000000000000000000000000000000000049800000000000000000000000600403004,0000000000000000015454c04814802329a3a9351f,0,17,24,0,0,6,39,41,-9.421,-0.364,1,1.0,0.97641784,+,0.7609,+,0.7609,https://www.genome.jp/dbget-bin/www_bget?dr:D01480
2131,D00372, Thiabendazole (USP), Imidazole and triazole derivatives,D01AC06,DERMATOLOGICALS,c1(c2cscn2)[nH]c2c(n1)cccc2,201.248,2.6864,57.2017,69.81,9,1,3,WJCNZQLZVWNLKY-UHFFFAOYSA-N,C10H7N3S,c1scc(n1)c1nc2c([nH]1)cccc2,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",-1.411,-1.3453,-1.3282,-1.1585,-0.8141,-0.7366,0.3821,0.4108,0.4552,0.4857,0.5409,D00372_D01AC06,8000010000000040000c42040c00000004000000000020000000000c001000000000010000009021a0000069000000400000401010002000802000120000000004000c0240200200010040000000000820800050048a000140880000000100000880000000000080004010006000042000020010000800000000020002000200,00000000001001,00000000000000000000000000000000000000000000d400000000000000000000004600402800,000000002840002001508480100180010021400817,0,15,8,0,0,1,21,23,-8.817,-0.728,0,0.0,0.22539514300000002,+,0.8095,-,0.8095,https://www.genome.jp/dbget-bin/www_bget?dr:D00372
2132,D00372, Thiabendazole (USP), Benzimidazole derivatives,P02CA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(c2cscn2)[nH]c2c(n1)cccc2,201.248,2.6864,57.2017,69.81,9,1,3,WJCNZQLZVWNLKY-UHFFFAOYSA-N,C10H7N3S,c1scc(n1)c1nc2c([nH]1)cccc2,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",-1.411,-1.3453,-1.3282,-1.1585,-0.8141,-0.7366,0.3821,0.4108,0.4552,0.4857,0.5409,D00372_P02CA02,8000010000000040000c42040c00000004000000000020000000000c001000000000010000009021a0000069000000400000401010002000802000120000000004000c0240200200010040000000000820800050048a000140880000000100000880000000000080004010006000042000020010000800000000020002000200,00000000001001,00000000000000000000000000000000000000000000d400000000000000000000004600402800,000000002840002001508480100180010021400817,0,15,8,0,0,1,21,23,-8.817,-0.728,0,0.0,0.22539514300000002,+,0.8095,-,0.8095,https://www.genome.jp/dbget-bin/www_bget?dr:D00372
2133,D00890, Tioconazole (JAN/USP/INN), Imidazole and triazole derivatives,D01AC07,DERMATOLOGICALS,[C@@H](c1c(cc(cc1)Cl)Cl)(Cn1ccnc1)OCc1c(scc1)Cl,387.711,5.8629,96.069,55.29,15,0,4,QXHHHPZILQDDPS-HNNXBMFYSA-N,C16H13Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1ccsc1Cl,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1",-2.6001,-2.3799,-0.8517,-0.8047,-0.784,-0.6038,0.544,0.6084,0.7924,1.0107,1.0863,D00890_D01AC07,0004c300000008408a004600000200043404000000020c0000220084002401041000408500000023a101005808140080000001000000421000020002001020000c800c028018000801048900ac1000028089294008920008c0080800000110200040000000000000204000005080180000060380000900800002000002800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000000600403004,00000000080000000154d5c04814802329a3a8351f,0,16,22,0,0,6,36,38,-9.472999999999999,-0.40399999999999997,1,0.0,0.953916132,+,1.5221,-,1.5221,https://www.genome.jp/dbget-bin/www_bget?dr:D00890
2134,D00890, Tioconazole (JAN/USP/INN), Imidazole derivatives,G01AF08,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H](c1c(cc(cc1)Cl)Cl)(Cn1ccnc1)OCc1c(scc1)Cl,387.711,5.8629,96.069,55.29,15,0,4,QXHHHPZILQDDPS-HNNXBMFYSA-N,C16H13Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1ccsc1Cl,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1",-2.5669999999999997,-2.2678,-0.8348,-0.8034,-0.7105,-0.6083,0.5284,0.57,0.7531,0.9896,1.0974,D00890_G01AF08,0004c300000008408a004600000200043404000000020c0000220084002401041000408500000023a101005808140080000001000000421000020002001020000c800c028018000801048900ac1000028089294008920008c0080800000110200040000000000000204000005080180000060380000900800002000002800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000000600403004,00000000080000000154d5c04814802329a3a8351f,0,16,22,0,0,6,36,38,-9.472999999999999,-0.40399999999999997,1,0.0,0.953916132,+,1.5221,-,1.5221,https://www.genome.jp/dbget-bin/www_bget?dr:D00890
2135,D00351, Ketoconazole (JP17/USP), Imidazole and triazole derivatives,D01AC08,DERMATOLOGICALS,[C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@@H](CO1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1ccnc1,531.431,4.2087,144.44299999999998,69.06,35,0,8,XMAYWYJOQHXEEK-ZEQKJWHPSA-N,C26H28Cl2N4O4,Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",-3.8974,-3.8932,-3.8792,-3.8235,-2.9956,-2.9763,1.2384,1.6319,1.6639,1.9417,2.3552,D00351_D01AC08,00060202000088400b0046000082000cb000802400020c0000220080002400101a00408f2000002720070038281410c0000002000200401900000002001024000ca02d02c110200100248900a6908002008901400c802008e00a0801002130004840000000280002244000025010080000068184280100a00822000002c00004,0400040070b021,010042000100804000008000120000000000000000049800000000000000000000000600403805,0000000000000021815474c94afcb9e779ebafff1f,0,17,50,1,0,8,64,68,-8.577,-0.316,2,,0.948644102,+,3.6139,-,3.6139,https://www.genome.jp/dbget-bin/www_bget?dr:D00351
2136,D00351, Ketoconazole (JP17/USP), Imidazole derivatives,G01AF11,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@@H](CO1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1ccnc1,531.431,4.2087,144.44299999999998,69.06,35,0,8,XMAYWYJOQHXEEK-ZEQKJWHPSA-N,C26H28Cl2N4O4,Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",-3.9586,-3.9202,-3.8864,-3.8171,-2.9897,-2.9879,1.2376,1.5784,1.6683,1.9247,2.3575,D00351_G01AF11,00060202000088400b0046000082000cb000802400020c0000220080002400101a00408f2000002720070038281410c0000002000200401900000002001024000ca02d02c110200100248900a6908002008901400c802008e00a0801002130004840000000280002244000025010080000068184280100a00822000002c00004,0400040070b021,010042000100804000008000120000000000000000049800000000000000000000000600403805,0000000000000021815474c94afcb9e779ebafff1f,0,17,50,1,0,8,64,68,-8.577,-0.316,2,,0.948644102,+,3.6139,-,3.6139,https://www.genome.jp/dbget-bin/www_bget?dr:D00351
2137,D00351, Ketoconazole (JP17/USP), Imidazole derivatives,J02AB02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]1(c2c(cc(cc2)Cl)Cl)(O[C@@H](CO1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1ccnc1,531.431,4.2087,144.44299999999998,69.06,35,0,8,XMAYWYJOQHXEEK-ZEQKJWHPSA-N,C26H28Cl2N4O4,Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",-3.9506,-3.9286,-3.9141,-3.7498,-3.0036,-2.9926,1.2356,1.3766,1.6695,1.9319,2.3508,D00351_J02AB02,00060202000088400b0046000082000cb000802400020c0000220080002400101a00408f2000002720070038281410c0000002000200401900000002001024000ca02d02c110200100248900a6908002008901400c802008e00a0801002130004840000000280002244000025010080000068184280100a00822000002c00004,0400040070b021,010042000100804000008000120000000000000000049800000000000000000000000600403805,0000000000000021815474c94afcb9e779ebafff1f,0,17,50,1,0,8,64,68,-8.577,-0.316,2,,0.948644102,+,3.6139,-,3.6139,https://www.genome.jp/dbget-bin/www_bget?dr:D00351
2138,D08535, Sulconazole (INN), Imidazole and triazole derivatives,D01AC09,DERMATOLOGICALS,c1(ccc(cc1)CS[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl,397.749,6.518,104.698,43.12,17,0,3,AFNXATANNDIXLG-SFHVURJKSA-N,C18H15Cl3N2S,Clc1ccc(cc1)CSC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-1.3592,-1.3391,-0.685,-0.6158,-0.6034,-0.5768,0.37,0.4073,0.6062,0.7207,0.8924,D08535_D01AC09,00040302000008400a0046000100000400100000000204000002008000200400100040810002002100010018080410800010000000004000000100020800000404000c008000000400048440249000020089054008a00008c0480800000110000000000000000000202000004000082040061180092500200002004002800000,00000000003101,000001001000000000000000000000000000000000049800000000000000000000000600403004,00000000000000000154d5804804800321a3292517,0,17,24,0,0,6,39,41,-9.183,-0.6890000000000001,1,0.0,0.9685785170000001,+,0.8179,+,0.8179,https://www.genome.jp/dbget-bin/www_bget?dr:D08535
2139,D00886, Sulconazole nitrate (JAN/USP), Imidazole and triazole derivatives,D01AC09,DERMATOLOGICALS,c1(ccc(cc1)CS[C@@H](Cn1cncc1)c1c(cc(cc1)Cl)Cl)Cl,397.749,6.518,104.698,43.12,17,0,3,AFNXATANNDIXLG-SFHVURJKSA-N,C18H15Cl3N2S,Clc1ccc(cc1)CSC(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1",-1.3525,-1.3293,-0.664,-0.6065,-0.6039,-0.5754,0.3708,0.4031,0.5964,0.7106,0.887,D00886_D01AC09,00040302000008400a0046000100000400100000000204000002008000200400100040810002002100010018080410800010000000004000000100020800000404000c008000000400048440249000020089054008a00008c0480800000110000000000000000000202000004000082040061180092500200002004002800000,00000000003101,000001001000000000000000000000000000000000049800000000000000000000000600403004,00000000000000000154d5804804800321a3292517,0,17,24,0,0,6,39,41,-9.182,-0.687,1,,0.9685780999999999,+,0.8179,+,0.8179,https://www.genome.jp/dbget-bin/www_bget?dr:D00886
2140,D01775, Bifonazole (JP17/USAN/INN), Imidazole and triazole derivatives,D01AC10,DERMATOLOGICALS,c1c(ccc(c1)[C@H](c1ccccc1)n1ccnc1)c1ccccc1,310.392,5.1878,97.899,17.82,19,0,2,OCAPBUJLXMYKEJ-QFIPXVFZSA-N,C22H18N2,c1ccc(cc1)c1ccc(cc1)C(n1ccnc1)c1ccccc1,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1",-1.2137,-0.9282,-0.7314,-0.7286,-0.6008,-0.5741,0.4123,0.4145,0.4167,0.4237,0.4266,D01775_D01AC10,0004000000000c400a004600804000044000004000000000000000a000000000100040814000003100800018000000800000001000004004000000020000020004000c008000000000000000001800800088004008800008c0080800000100000010000100000000000000004000080000060100000100000002800002200000,00000000001001,000000000000000000000000000000000000000000009800000000000000000000000600403004,000000000000002001541480000080030021092817,0,23,22,0,0,4,42,45,-9.283999999999999,-0.14300000000000002,1,0.0,0.759583592,+,0.9242,+,0.9242,https://www.genome.jp/dbget-bin/www_bget?dr:D01775
2141,D08313, Oxiconazole (INN), Imidazole and triazole derivatives,D01AC11,DERMATOLOGICALS,C(=N\OCc1c(cc(cc1)Cl)Cl)(/c1c(cc(cc1)Cl)Cl)\Cn1ccnc1,429.12699999999995,6.1178,106.887,39.41,16,0,4,QRJJEGAJXVEBNE-HKOYGPOVSA-N,C18H13Cl4N3O,Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",-1.716,-1.3443,-0.9372,-0.9189,-0.7098,-0.6704,0.4789,0.5339,0.8834,0.9002,1.0883,D08313_D01AC11,0004024000000c400a00460008000004400000020000044004030080002000001000408100400021228100180814008010048000004040000000a402002000001c000d008000000000048000a4180002008d014008800209d1080d00a88118000000000000000000204000104000090000060500000100000002000003800000,00200000003001,000000000000400000000000000000000000000000049800000000000000000000000640403800,0000800000000000417454a06954c0ab20a3293d1f,0,17,23,1,0,6,39,41,-9.673,-0.624,0,1.0,0.9816341999999999,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D08313
2142,D08313, Oxiconazole (INN), Imidazole derivatives,G01AF17,GENITO URINARY SYSTEM AND SEX HORMONES,C(=N\OCc1c(cc(cc1)Cl)Cl)(/c1c(cc(cc1)Cl)Cl)\Cn1ccnc1,429.12699999999995,6.1178,106.887,39.41,16,0,4,QRJJEGAJXVEBNE-HKOYGPOVSA-N,C18H13Cl4N3O,Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",-1.7213,-1.3333,-0.938,-0.9174,-0.7449,-0.7111,0.5192,0.5288,0.9012,0.9223,1.087,D08313_G01AF17,0004024000000c400a00460008000004400000020000044004030080002000001000408100400021228100180814008010048000004040000000a402002000001c000d008000000000048000a4180002008d014008800209d1080d00a88118000000000000000000204000104000090000060500000100000002000003800000,00200000003001,000000000000400000000000000000000000000000049800000000000000000000000640403800,0000800000000000417454a06954c0ab20a3293d1f,0,17,23,1,0,6,39,41,-9.673,-0.624,0,1.0,0.9816341999999999,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D08313
2143,D00885, Oxiconazole nitrate (JAN/USAN), Imidazole and triazole derivatives,D01AC11,DERMATOLOGICALS,C(=N\OCc1c(cc(cc1)Cl)Cl)(/c1c(cc(cc1)Cl)Cl)\Cn1ccnc1,429.12699999999995,6.1178,106.887,39.41,16,0,4,QRJJEGAJXVEBNE-HKOYGPOVSA-N,C18H13Cl4N3O,Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",-1.7080000000000002,-1.3607,-0.9371,-0.9184,-0.7365,-0.7098,0.4981,0.5294,0.9076,0.9362,1.0873,D00885_D01AC11,0004024000000c400a00460008000004400000020000044004030080002000001000408100400021228100180814008010048000004040000000a402002000001c000d008000000000048000a4180002008d014008800209d1080d00a88118000000000000000000204000104000090000060500000100000002000003800000,00200000003001,000000000000400000000000000000000000000000049800000000000000000000000640403800,0000800000000000417454a06954c0ab20a3293d1f,0,17,23,1,0,6,39,41,-9.677,-0.63,0,1.0,0.981634676,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D00885
2144,D00885, Oxiconazole nitrate (JAN/USAN), Imidazole derivatives,G01AF17,GENITO URINARY SYSTEM AND SEX HORMONES,C(=N\OCc1c(cc(cc1)Cl)Cl)(/c1c(cc(cc1)Cl)Cl)\Cn1ccnc1,429.12699999999995,6.1178,106.887,39.41,16,0,4,QRJJEGAJXVEBNE-HKOYGPOVSA-N,C18H13Cl4N3O,Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",-1.7193,-1.3419,-0.9356,-0.9212,-0.7137,-0.6142,0.5267,0.6052,0.8499,0.9032,1.0877,D00885_G01AF17,0004024000000c400a00460008000004400000020000044004030080002000001000408100400021228100180814008010048000004040000000a402002000001c000d008000000000048000a4180002008d014008800209d1080d00a88118000000000000000000204000104000090000060500000100000002000003800000,00200000003001,000000000000400000000000000000000000000000049800000000000000000000000640403800,0000800000000000417454a06954c0ab20a3293d1f,0,17,23,1,0,6,39,41,-9.677,-0.63,0,1.0,0.981634676,+,1.0236,-,1.0236,https://www.genome.jp/dbget-bin/www_bget?dr:D00885
2145,D02582, Fenticonazole (INN), Imidazole and triazole derivatives,D01AC12,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Sc2ccccc2)c(cc(cc1)Cl)Cl,455.399,7.2992,123.74700000000001,52.35,23,0,4,ZCJYUTQZBAIHBS-DEOSSOPVSA-N,C24H20Cl2N2OS,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2/t24-/m0/s1",-2.3836,-2.3531,-0.8515,-0.7659999999999999,-0.6373,-0.5959,0.4773,0.5595,1.0034,1.0383,1.0572,D02582_D01AC12,20040300000008400a004600000200043000000000020c00002200800024000019004085000080232001101808140080000000000000601000020002001020040c800c028010000000048900a41000020089016008900008c00808000001100000400000000000002040000050000c0000061180000102800012800002800000,00000000303101,008010000000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5c04814802329a3a9351f,0,23,30,0,0,8,50,53,-8.463,-0.45299999999999996,1,,0.993219972,+,1.1489,+,1.1489,https://www.genome.jp/dbget-bin/www_bget?dr:D02582
2146,D02582, Fenticonazole (INN), Imidazole derivatives,G01AF12,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Sc2ccccc2)c(cc(cc1)Cl)Cl,455.399,7.2992,123.74700000000001,52.35,23,0,4,ZCJYUTQZBAIHBS-DEOSSOPVSA-N,C24H20Cl2N2OS,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2/t24-/m0/s1",-2.3909,-2.3821,-0.8204,-0.7816,-0.603,-0.5763,0.5013,0.5113,0.7858,1.0095,1.0483,D02582_G01AF12,20040300000008400a004600000200043000000000020c00002200800024000019004085000080232001101808140080000000000000601000020002001020040c800c028010000000048900a41000020089016008900008c00808000001100000400000000000002040000050000c0000061180000102800012800002800000,00000000303101,008010000000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5c04814802329a3a9351f,0,23,30,0,0,8,50,53,-8.463,-0.45299999999999996,1,,0.993219972,+,1.1489,+,1.1489,https://www.genome.jp/dbget-bin/www_bget?dr:D02582
2147,D02583, Fenticonazole nitrate (USAN), Imidazole and triazole derivatives,D01AC12,DERMATOLOGICALS,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Sc2ccccc2)c(cc(cc1)Cl)Cl,455.399,7.2992,123.74700000000001,52.35,23,0,4,ZCJYUTQZBAIHBS-DEOSSOPVSA-N,C24H20Cl2N2OS,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2/t24-/m0/s1",-2.373,-2.3283,-0.8107,-0.7117,-0.6229,-0.5887,0.4909,0.535,0.7416,0.9951,1.0181,D02583_D01AC12,20040300000008400a004600000200043000000000020c00002200800024000019004085000080232001101808140080000000000000601000020002001020040c800c028010000000048900a41000020089016008900008c00808000001100000400000000000002040000050000c0000061180000102800012800002800000,00000000303101,008010000000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5c04814802329a3a9351f,0,23,30,0,0,8,50,53,-8.463,-0.45299999999999996,1,0.0,0.993219078,+,1.1489,+,1.1489,https://www.genome.jp/dbget-bin/www_bget?dr:D02583
2148,D02583, Fenticonazole nitrate (USAN), Imidazole derivatives,G01AF12,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H](Cn2ccnc2)OCc2ccc(cc2)Sc2ccccc2)c(cc(cc1)Cl)Cl,455.399,7.2992,123.74700000000001,52.35,23,0,4,ZCJYUTQZBAIHBS-DEOSSOPVSA-N,C24H20Cl2N2OS,Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2/t24-/m0/s1",-2.365,-2.3547,-0.8316,-0.7287,-0.6069,-0.5749,0.5121,0.5294,0.7601,0.9923,1.0344,D02583_G01AF12,20040300000008400a004600000200043000000000020c00002200800024000019004085000080232001101808140080000000000000601000020002001020040c800c028010000000048900a41000020089016008900008c00808000001100000400000000000002040000050000c0000061180000102800012800002800000,00000000303101,008010000000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5c04814802329a3a9351f,0,23,30,0,0,8,50,53,-8.463,-0.45299999999999996,1,0.0,0.993219078,+,1.1489,+,1.1489,https://www.genome.jp/dbget-bin/www_bget?dr:D02583
2149,D08296, Omoconazole (INN), Imidazole and triazole derivatives,D01AC13,DERMATOLOGICALS,c1(/C(=C(/n2ccnc2)\C)/OCCOc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,423.72,6.2846,110.44200000000001,36.28,20,0,4,JMFOSJNGKJCTMJ-ZHZULCJRSA-N,C20H17Cl3N2O2,Clc1ccc(cc1)OCCOC(=C(n1cncc1)C)c1ccc(cc1Cl)Cl,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",-1.2028,-1.0461,-1.0182,-1.0067,-0.6062,-0.6015,0.3787,0.4421,0.5067,0.7028,0.7366,D08296_D01AC13,00000200000008c40008460040c24000200085c000205c000022008000240200000040080000002560030078001000a0002082100240406040454012001c00200c000c028700200300040100865080820098084008828000c0080200002100004044810080000882204200005010080001060100080100a00800008002804004,00000000703001,010002000000000000020000000000000000000000049800000000000000000000000640402000,0000000000100000815c54c0441ca16328e3adfd1f,0,17,28,1,0,7,44,46,-9.258,-0.777,0,2.0,0.9344695209999999,+,0.8489,-,0.8489,https://www.genome.jp/dbget-bin/www_bget?dr:D08296
2150,D08296, Omoconazole (INN), Imidazole derivatives,G01AF16,GENITO URINARY SYSTEM AND SEX HORMONES,c1(/C(=C(/n2ccnc2)\C)/OCCOc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,423.72,6.2846,110.44200000000001,36.28,20,0,4,JMFOSJNGKJCTMJ-ZHZULCJRSA-N,C20H17Cl3N2O2,Clc1ccc(cc1)OCCOC(=C(n1cncc1)C)c1ccc(cc1Cl)Cl,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",-1.2049,-1.0504,-1.0216,-1.0046,-0.608,-0.6027,0.3792,0.4496,0.5086,0.6939,0.7395,D08296_G01AF16,00000200000008c40008460040c24000200085c000205c000022008000240200000040080000002560030078001000a0002082100240406040454012001c00200c000c028700200300040100865080820098084008828000c0080200002100004044810080000882204200005010080001060100080100a00800008002804004,00000000703001,010002000000000000020000000000000000000000049800000000000000000000000640402000,0000000000100000815c54c0441ca16328e3adfd1f,0,17,28,1,0,7,44,46,-9.258,-0.777,0,2.0,0.9344695209999999,+,0.8489,-,0.8489,https://www.genome.jp/dbget-bin/www_bget?dr:D08296
2151,D01664, Omoconazole nitrate (JAN/USAN), Imidazole and triazole derivatives,D01AC13,DERMATOLOGICALS,c1(/C(=C(/n2ccnc2)\C)/OCCOc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,423.72,6.2846,110.44200000000001,36.28,20,0,4,JMFOSJNGKJCTMJ-ZHZULCJRSA-N,C20H17Cl3N2O2,Clc1ccc(cc1)OCCOC(=C(n1cncc1)C)c1ccc(cc1Cl)Cl,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",-1.2025,-1.0484,-1.0213,-1.0021,-0.6057,-0.604,0.5371,0.5957,0.5992,0.6483,0.7377,D01664_D01AC13,00000200000008c40008460040c24000200085c000205c000022008000240200000040080000002560030078001000a0002082100240406040454012001c00200c000c028700200300040100865080820098084008828000c0080200002100004044810080000882204200005010080001060100080100a00800008002804004,00000000703001,010002000000000000020000000000000000000000049800000000000000000000000640402000,0000000000100000815c54c0441ca16328e3adfd1f,0,17,28,1,0,7,44,46,-9.253,-0.773,0,,0.934462488,+,0.8489,-,0.8489,https://www.genome.jp/dbget-bin/www_bget?dr:D01664
2152,D01664, Omoconazole nitrate (JAN/USAN), Imidazole derivatives,G01AF16,GENITO URINARY SYSTEM AND SEX HORMONES,c1(/C(=C(/n2ccnc2)\C)/OCCOc2ccc(cc2)Cl)c(cc(cc1)Cl)Cl,423.72,6.2846,110.44200000000001,36.28,20,0,4,JMFOSJNGKJCTMJ-ZHZULCJRSA-N,C20H17Cl3N2O2,Clc1ccc(cc1)OCCOC(=C(n1cncc1)C)c1ccc(cc1Cl)Cl,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",-1.2088,-1.051,-1.0190000000000001,-0.9999,-0.6041,-0.6001,0.38,0.4152,0.5048,0.6959,0.7389,D01664_G01AF16,00000200000008c40008460040c24000200085c000205c000022008000240200000040080000002560030078001000a0002082100240406040454012001c00200c000c028700200300040100865080820098084008828000c0080200002100004044810080000882204200005010080001060100080100a00800008002804004,00000000703001,010002000000000000020000000000000000000000049800000000000000000000000640402000,0000000000100000815c54c0441ca16328e3adfd1f,0,17,28,1,0,7,44,46,-9.253,-0.773,0,,0.934462488,+,0.8489,-,0.8489,https://www.genome.jp/dbget-bin/www_bget?dr:D01664
2153,D06883, Sertaconazole (INN), Imidazole and triazole derivatives,D01AC14,DERMATOLOGICALS,c1(cc(c(cc1)[C@H](OCc1c2c(sc1)c(ccc2)Cl)Cn1cncc1)Cl)Cl,437.77,7.0161,113.575,55.29,17,0,4,JLGKQTAYUIMGRK-LJQANCHMSA-N,C20H15Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1",-2.5956,-2.3649,-0.8301,-0.7987,-0.7677,-0.7263,0.5961,0.5996,1.0078,1.0215,1.0858,D06883_D01AC14,0004c300000008408a004600000200043400000000020c0000220084002581001000408580000023a801005808140080000001000000421000020402001020000c800c028019000801048900ac1000028889094008920008c0080800000110200040000000000000204000005000180004060380000901800002001102800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000004600403004,00000000080000000154d5c05815802329a3a9351f,0,21,24,0,0,6,42,45,-8.752,-0.502,1,4.0,0.989203453,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D06883
2154,D06883, Sertaconazole (INN), Imidazole derivatives,G01AF19,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c(cc1)[C@H](OCc1c2c(sc1)c(ccc2)Cl)Cn1cncc1)Cl)Cl,437.77,7.0161,113.575,55.29,17,0,4,JLGKQTAYUIMGRK-LJQANCHMSA-N,C20H15Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1",-2.5814,-2.3612,-0.8498,-0.8014,-0.7698,-0.6,0.5291,0.5859,0.7853,1.0086,1.0887,D06883_G01AF19,0004c300000008408a004600000200043400000000020c0000220084002581001000408580000023a801005808140080000001000000421000020402001020000c800c028019000801048900ac1000028889094008920008c0080800000110200040000000000000204000005000180004060380000901800002001102800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000004600403004,00000000080000000154d5c05815802329a3a9351f,0,21,24,0,0,6,42,45,-8.752,-0.502,1,4.0,0.989203453,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D06883
2155,D08510, Sertaconazole nitrate, Imidazole and triazole derivatives,D01AC14,DERMATOLOGICALS,c1(cc(c(cc1)[C@H](OCc1c2c(sc1)c(ccc2)Cl)Cn1cncc1)Cl)Cl,437.77,7.0161,113.575,55.29,17,0,4,JLGKQTAYUIMGRK-LJQANCHMSA-N,C20H15Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1",-2.5994,-2.3707,-0.8294,-0.8225,-0.8051,-0.7769,0.5894,0.6916,0.9204,1.0076,1.088,D08510_D01AC14,0004c300000008408a004600000200043400000000020c0000220084002581001000408580000023a801005808140080000001000000421000020402001020000c800c028019000801048900ac1000028889094008920008c0080800000110200040000000000000204000005000180004060380000901800002001102800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000004600403004,00000000080000000154d5c05815802329a3a9351f,0,21,24,0,0,6,42,45,-8.749,-0.506,1,-2.0,0.98922503,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D08510
2156,D08510, Sertaconazole nitrate, Imidazole derivatives,G01AF19,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c(cc1)[C@H](OCc1c2c(sc1)c(ccc2)Cl)Cn1cncc1)Cl)Cl,437.77,7.0161,113.575,55.29,17,0,4,JLGKQTAYUIMGRK-LJQANCHMSA-N,C20H15Cl3N2OS,Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1",-2.5825,-2.3592,-0.8595,-0.7948,-0.7517,-0.6042,0.54,0.5855,0.7779,1.0084,1.0852,D08510_G01AF19,0004c300000008408a004600000200043400000000020c0000220084002581001000408580000023a801005808140080000001000000421000020402001020000c800c028019000801048900ac1000028889094008920008c0080800000110200040000000000000204000005000180004060380000901800002001102800100,00000000303001,00800000000000000000000000000000000000000004d800000000000000000000004600403004,00000000080000000154d5c05815802329a3a9351f,0,21,24,0,0,6,42,45,-8.749,-0.506,1,-2.0,0.98922503,+,2.0725,-,2.0725,https://www.genome.jp/dbget-bin/www_bget?dr:D08510
2157,D00322, Fluconazole (JP17/USAN/INN), Imidazole and triazole derivatives,D01AC15,DERMATOLOGICALS,c1(C(Cn2cncn2)(Cn2cncn2)O)c(cc(cc1)F)F,306.27099999999996,0.7358,70.7088,81.65,17,1,7,RFHAOTPXVQNOHP-UHFFFAOYSA-N,C13H12F2N6O,Fc1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn1)O,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",-2.8603,-2.7949,-2.784,-2.3746,-2.3714,-2.1864,1.2647,1.2718,1.7249,2.1895,2.519,D00322_D01AC15,40070000000000c00a80060000000004210000010001000060000080000000001000408d400000236000001800000080000030000000401880020002008210050c000800800020000010000100000000008000c008000008c009090000010000000000000000000014c000000004180000060102000110c00802800004000000,0000004c00b001,004800000000000000000000000000000000000000089800000000000000000000000600403000,000000000002080003d444e089c4800b2aa7a83d1f,2,16,20,0,0,5,34,36,-10.202,-0.314,0,0.0,0.015792631,+,1.1152,+,1.1152,https://www.genome.jp/dbget-bin/www_bget?dr:D00322
2158,D00322, Fluconazole (JP17/USAN/INN), Triazole derivatives,J02AC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(Cn2cncn2)(Cn2cncn2)O)c(cc(cc1)F)F,306.27099999999996,0.7358,70.7088,81.65,17,1,7,RFHAOTPXVQNOHP-UHFFFAOYSA-N,C13H12F2N6O,Fc1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn1)O,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",-2.8714,-2.7872,-2.7798,-2.3729,-2.3704,-2.1844,1.2537,1.3336,1.7152,1.8713,2.5173,D00322_J02AC01,40070000000000c00a80060000000004210000010001000060000080000000001000408d400000236000001800000080000030000000401880020002008210050c000800800020000010000100000000008000c008000008c009090000010000000000000000000014c000000004180000060102000110c00802800004000000,0000004c00b001,004800000000000000000000000000000000000000089800000000000000000000000600403000,000000000002080003d444e089c4800b2aa7a83d1f,2,16,20,0,0,5,34,36,-10.202,-0.314,0,0.0,0.015792631,+,1.1152,+,1.1152,https://www.genome.jp/dbget-bin/www_bget?dr:D00322
2159,D01429, Fosfluconazole (JAN/INN), Imidazole and triazole derivatives,D01AC15,DERMATOLOGICALS,c1cc(c(cc1F)F)C(Cn1cncn1)(Cn1cncn1)OP(=O)(O)O,386.251,0.8528,81.6191,137.99,19,2,10,GHJWNRRCRIGGIO-UHFFFAOYSA-N,C13H13F2N6O4P,Fc1ccc(c(c1)F)C(OP(=O)(O)O)(Cn1cncn1)Cn1cncn1,"InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)",-10.5257,-10.4937,-10.3149,-7.5494,-4.6984,-2.9427,3.0169,3.0268,3.3436,3.5023,5.1124,D01429_D01AC15,40870000000000c00a80060010000004210001010001000660000080000000001000408d400000236008001c00000080022030000000c01880020002208214050c040a00880020002010020100040000008000c008000008c009090000610000000000000040001014c0000004041800080681031a0110c20802800004000000,0000000000b001,000000000000000000000000000000000000000000089800000000000010200000000600403800,000000100086080013d444e429c6802b2eafaa7d1f,2,16,24,1,0,7,39,41,-0.145,4.618,0,,2.92139e-14,+,1.3437,-,1.3437,https://www.genome.jp/dbget-bin/www_bget?dr:D01429
2160,D01429, Fosfluconazole (JAN/INN), Triazole derivatives,J02AC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c(cc1F)F)C(Cn1cncn1)(Cn1cncn1)OP(=O)(O)O,386.251,0.8528,81.6191,137.99,19,2,10,GHJWNRRCRIGGIO-UHFFFAOYSA-N,C13H13F2N6O4P,Fc1ccc(c(c1)F)C(OP(=O)(O)O)(Cn1cncn1)Cn1cncn1,"InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)",-10.5025,-10.4984,-10.2844,-7.4842,-4.2814,-2.8052,3.013,3.0236,3.375,3.5276,4.9465,D01429_J02AC01,40870000000000c00a80060010000004210001010001000660000080000000001000408d400000236008001c00000080022030000000c01880020002208214050c040a00880020002010020100040000008000c008000008c009090000610000000000000040001014c0000004041800080681031a0110c20802800004000000,0000000000b001,000000000000000000000000000000000000000000089800000000000010200000000600403800,000000100086080013d444e429c6802b2eafaa7d1f,2,16,24,1,0,7,39,41,-0.145,4.618,0,,2.92139e-14,+,1.3437,-,1.3437,https://www.genome.jp/dbget-bin/www_bget?dr:D01429
2161,D07193, Flutrimazole (INN), Imidazole and triazole derivatives,D01AC16,DERMATOLOGICALS,n1cn(cc1)[C@@](c1c(cccc1)F)(c1ccc(cc1)F)c1ccccc1,346.37300000000005,5.0015,96.749,17.82,17,0,2,QHMWCHQXCUNUAK-JOCHJYFZSA-N,C22H16F2N2,Fc1ccc(cc1)C(c1ccccc1F)(n1cncc1)c1ccccc1,"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H/t22-/m1/s1",-1.5137,-1.145,-0.8924,-0.8902,-0.8864,-0.6357,0.5176,0.52,0.5215,0.5285,0.7141,D07193_D01AC16,0006000000000c400a804600800000040100004000000000000000a000000000100040914000002100800018000000800000100000004000800100020002000304000c008000000000100000009801000080004008800008c0280800000100000010000100000000100000004000080000060102000110000002800042000000,00000000003001,000000000000000000000000000000000000000000089800000000000000000000000600402004,0000000000020000035454800084800320a1292817,2,23,22,0,0,4,42,45,-9.367,-0.201,1,0.0,0.896164656,+,1.1103,+,1.1103,https://www.genome.jp/dbget-bin/www_bget?dr:D07193
2162,D07193, Flutrimazole (INN), Imidazole derivatives,G01AF18,GENITO URINARY SYSTEM AND SEX HORMONES,n1cn(cc1)[C@@](c1c(cccc1)F)(c1ccc(cc1)F)c1ccccc1,346.37300000000005,5.0015,96.749,17.82,17,0,2,QHMWCHQXCUNUAK-JOCHJYFZSA-N,C22H16F2N2,Fc1ccc(cc1)C(c1ccccc1F)(n1cncc1)c1ccccc1,"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H/t22-/m1/s1",-1.5199,-1.1437,-0.8962,-0.893,-0.8926,-0.648,0.514,0.5219,0.5276,0.5323,0.722,D07193_G01AF18,0006000000000c400a804600800000040100004000000000000000a000000000100040914000002100800018000000800000100000004000800100020002000304000c008000000000100000009801000080004008800008c0280800000100000010000100000000100000004000080000060102000110000002800042000000,00000000003001,000000000000000000000000000000000000000000089800000000000000000000000600402004,0000000000020000035454800084800320a1292817,2,23,22,0,0,4,42,45,-9.367,-0.201,1,0.0,0.896164656,+,1.1103,+,1.1103,https://www.genome.jp/dbget-bin/www_bget?dr:D07193
2163,D07882, Eberconazole (INN), Imidazole and triazole derivatives,D01AC17,DERMATOLOGICALS,c12[C@@H](c3c(CCc1cc(cc2Cl)Cl)cccc3)n1cncc1,329.223,4.9262,90.301,17.82,15,0,2,MPTJIDOGFUQSQH-GOSISDBHSA-N,C18H14Cl2N2,Clc1cc2CCc3c(C(c2c(c1)Cl)n1cncc1)cccc3,"InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2/t18-/m1/s1",-1.2133,-0.9049,-0.732,-0.7304,-0.6032,-0.574,0.3884,0.3958,0.4141,0.4208,0.5265,D07882_D01AC17,0005020000000c440a00c600800000068000004000000400010200a000200000100844814040402100811018000d00800100000000005000000000020008000004000c028000008000042000641800020088804008801008c008180000090004017000010014000422000000600008000006011000010000000280040a800000,00000000003001,020000000000000000000000000000000000000000049800000000000000000000004600403004,0000040000000020015454805005a00330a10d2817,0,17,22,0,0,1,36,39,-9.357000000000001,-0.442,1,1.0,0.9375154379999999,+,1.0094,+,1.0094,https://www.genome.jp/dbget-bin/www_bget?dr:D07882
2164,D07884, Eberconazole nitrate, Imidazole and triazole derivatives,D01AC17,DERMATOLOGICALS,c12[C@@H](c3c(CCc1cc(cc2Cl)Cl)cccc3)n1cncc1,329.223,4.9262,90.301,17.82,15,0,2,MPTJIDOGFUQSQH-GOSISDBHSA-N,C18H14Cl2N2,Clc1cc2CCc3c(C(c2c(c1)Cl)n1cncc1)cccc3,"InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2/t18-/m1/s1",-1.2133,-0.9049,-0.732,-0.7304,-0.6032,-0.574,0.3884,0.3958,0.4141,0.4208,0.5265,D07884_D01AC17,0005020000000c440a00c600800000068000004000000400010200a000200000100844814040402100811018000d00800100000000005000000000020008000004000c028000008000042000641800020088804008801008c008180000090004017000010014000422000000600008000006011000010000000280040a800000,00000000003001,020000000000000000000000000000000000000000049800000000000000000000004600403004,0000040000000020015454805005a00330a10d2817,0,17,22,0,0,1,36,39,-9.357999999999999,-0.43700000000000006,1,1.0,0.937509596,+,1.0094,+,1.0094,https://www.genome.jp/dbget-bin/www_bget?dr:D07884
2165,D01980, Luliconazole (JAN/USAN/INN), Imidazole and triazole derivatives,D01AC18,DERMATOLOGICALS,c1c(cc(c(c1)[C@H]1S/C(=C(\C#N)/n2cncc2)/SC1)Cl)Cl,354.277,5.06088,90.359,92.21,13,0,5,YTAOBBFIOAEMLL-REQDGWNSSA-N,C14H9Cl2N3S2,N#CC(=C1SCC(S1)c1ccc(cc1Cl)Cl)n1cncc1,"InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1",-3.4299,-1.2037,-1.0436,-0.9718,-0.8706,-0.7886,0.6713,0.7407,0.8102,0.8194,0.9902,D01980_D01AC18,000507010400084402c84602c00008000000008c300004001c0200a000200000104050020006002100010058000410800000000040004000000180020928600404020c4884100000000404502490410200880a4008800048d04c09030001280000040000000409002818e0004040082000461100002508820004008002904000,00000000003111,0000000000000000000000000000000018000000000498000000000000000000000006c0406004,0000100008110020015cd5804404800320a1282917,0,11,19,1,1,2,30,32,-9.027000000000001,-1.011,1,,0.802069545,-,1.6052,-,1.6052,https://www.genome.jp/dbget-bin/www_bget?dr:D01980
2166,D10021, Efinaconazole (JAN/USAN/INN), Imidazole and triazole derivatives,D01AC19,DERMATOLOGICALS,c1cc(cc(c1[C@]([C@H]([NH+]1CCC(=C)CC1)C)(Cn1cncn1)O)F)F,349.398,2.6367,95.1805,55.38,26,2,4,NFEZZTICAUWDHU-RDTXWAMCSA-O,C18H23F2N4O+,C=C1CC[NH+](CC1)C(C(c1ccc(cc1F)F)(Cn1cncn1)O)C,"InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/p+1/t14-,18-/m1/s1",-6.0391,-4.5327,-4.485,-4.3347,-2.8524,-2.7726,1.5666,1.5866,1.8908,2.5181,2.7159,D10021_D01AC19,402f0000000000c41a80060000000004210000110000000060000080000000001000508d400000236000201800010080010230000000400080020002008210150c000800800028000010800102000000008001d008003008c809190080092000000404200000080014c000008006180000060102000110c00806800904000000,0100004c00f001,134840020400000000000000000000000000000000089800000000000000000000000600c03204,0000000002022b0003dc76e68fcca88b2da7edbd1f,2,11,38,1,0,5,48,50,-13.222000000000001,-3.8510000000000004,2,0.0,0.015032006,+,0.78,-,0.78,https://www.genome.jp/dbget-bin/www_bget?dr:D10021
2167,D01046, Gentian violet (USP), Other antifungals for topical use,D01AE02,DERMATOLOGICALS,c1c(ccc(c1)C(=C1C=CC(=[N](C)C)C=C1)c1ccc(cc1)N(C)C)N(C)C,372.526,4.9828,124.76299999999999,18.84,33,0,2,LCWLELHPTCZUJG-UHFFFAOYSA-N,C25H30N3,C[N](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3",-3.0479,-3.0428,-3.0364,-3.0348,-0.86,-0.86,0.7469,0.7508,0.755,0.7964,0.7973,D01046_D01AE02,002400010000000402000608908040008000404000204040000001a00000000010084000008000200004000811200040400000008000000800000002000d040004000000420000000080000000000000018000400400200843081800200000000204001380000090010000000000004000020140000100000008040002000000,00010000003021,100040020100000000000000000000000000000000000000000000000000000000000240436000,0000000000000200002a301004004002503019a817,0,12,44,4,0,4,58,60,-11.06,-5.499,0,,0.022118254,+,1.2022,-,1.2022,https://www.genome.jp/dbget-bin/www_bget?dr:D01046
2168,D01046, Gentian violet (USP), Other antiinfectives and antiseptics,G01AX09,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(ccc(c1)C(=C1C=CC(=[N](C)C)C=C1)c1ccc(cc1)N(C)C)N(C)C,372.526,4.9828,124.76299999999999,18.84,33,0,2,LCWLELHPTCZUJG-UHFFFAOYSA-N,C25H30N3,C[N](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3",-3.0445,-3.0432,-3.04,-3.0397,-0.8617,-0.8606,0.7391,0.7498,0.754,0.7958,0.7961,D01046_G01AX09,002400010000000402000608908040008000404000204040000001a00000000010084000008000200004000811200040400000008000000800000002000d040004000000420000000080000000000000018000400400200843081800200000000204001380000090010000000000004000020140000100000008040002000000,00010000003021,100040020100000000000000000000000000000000000000000000000000000000000240436000,0000000000000200002a301004004002503019a817,0,12,44,4,0,4,58,60,-11.06,-5.499,0,,0.022118254,+,1.2022,-,1.2022,https://www.genome.jp/dbget-bin/www_bget?dr:D01046
2169,D02159, Undecylenic acid (JAN/USP), Other antifungals for topical use,D01AE04,DERMATOLOGICALS,C=CCCCCCCCCC(=O)O,184.275,3.3778,56.2888,37.3,21,1,2,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,C11H20O2,C=CCCCCCCCCC(=O)O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",-4.623,-3.983,-1.3059,-0.6521,-0.6121,-0.5965,0.4543,0.5209,0.6269,0.9257,2.3254,D02159_D01AE04,00000000000002240000000000000000000000800000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000400000000800008800004001000400000000000001000000000000004000000000000000000000000080000000000000000000000000100000100,0400000c00a002,120000000000000000008800000000000000000000000000000000000000000000000000402800,000000000200000000000006840020840904045608,0,0,30,2,0,9,33,32,-4.132,3.092,0,,,-,1.1634,-,1.1634,https://www.genome.jp/dbget-bin/www_bget?dr:D02159
2170,D01124, Zinc undecylenate (JAN/USP), Other antifungals for topical use,D01AE04,DERMATOLOGICALS,C=CCCCCCCCCC(=O)O,184.275,3.3778,56.2888,37.3,21,1,2,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,C11H20O2,C=CCCCCCCCCC(=O)O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",-4.5539,-4.4458,-1.3344,-0.597,-0.5967,-0.5719,0.2189,0.2297,0.3827,0.9298,2.3687,D01124_D01AE04,00000000000002240000000000000000000000800000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000400000000800008800004001000400000000000001000000000000004000000000000000000000000080000000000000000000000000100000100,0400000c00a002,120000000000000000008800000000000000000000000000000000000000000000000000402800,000000000200000000000006840020840904045608,0,0,30,2,0,9,33,32,-4.106,3.029,0,0.0,,-,1.1301,-,1.1301,https://www.genome.jp/dbget-bin/www_bget?dr:D01124
2171,D03315, Calcium undecylenate (USP), Other antifungals for topical use,D01AE04,DERMATOLOGICALS,C=CCCCCCCCCC(=O)O,184.275,3.3778,56.2888,37.3,21,1,2,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,C11H20O2,C=CCCCCCCCCC(=O)O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",-4.5378,-4.498,-1.3316,-0.5952,-0.5942,-0.5738,0.218,0.2325,0.3782,0.9227,2.3641,D03315_D01AE04,00000000000002240000000000000000000000800000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000400000000800008800004001000400000000000001000000000000004000000000000000000000000080000000000000000000000000100000100,0400000c00a002,120000000000000000008800000000000000000000000000000000000000000000000000402800,000000000200000000000006840020840904045608,0,0,30,2,0,9,33,32,-4.1339999999999995,3.077,0,,,-,1.1301,-,1.1301,https://www.genome.jp/dbget-bin/www_bget?dr:D03315
2172,D08894, Copper undecylenate (USAN), Other antifungals for topical use,D01AE04,DERMATOLOGICALS,OC(=O)CCCCCCCCC=C,184.275,3.3778,56.2888,37.3,21,1,2,FRPZMMHWLSIFAZ-UHFFFAOYSA-N,C11H20O2,C=CCCCCCCCCC(=O)O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",-4.5913,-4.3982,-1.85,-0.5968,-0.5961,-0.5722,0.3198,0.3211,0.3858,0.9287,2.3859,D08894_D01AE04,00000000000002240000000000000000000000800000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000400000000800008800004001000400000000000001000000000000004000000000000000000000000080000000000000000000000000100000100,0400000c00a002,120000000000000000008800000000000000000000000000000000000000000000000000402800,000000000200000000000006840020840904045608,0,0,30,2,0,9,33,32,-4.147,2.63,0,0.0,,-,1.6269,-,1.6269,https://www.genome.jp/dbget-bin/www_bget?dr:D08894
2173,D06139, Ticlatone (USAN/INN), Other antifungals for topical use,D01AE08,DERMATOLOGICALS,c1(ccc2c(c1)s[nH]c2=O)Cl,185.63099999999997,2.2430000000000003,47.4557,61.1,5,1,2,POPOYOKQQAEISW-UHFFFAOYSA-N,C7H4ClNOS,Clc1ccc2c(c1)s[nH]c2=O,"InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)",-3.6633,-2.4899,-2.3065,-1.1624,-0.4603,-0.4429,0.3468,0.4138,0.4157,0.45799999999999996,1.3901,D06139_D01AE08,000cc3000000000000200220000000000000000000000000041000040060800000005000000080008801000800000000000000000000200000001000000000000400040000000000000060000c9000022088000000000000c00802400000000600010000000000042000000200000c0000020000002100010000200010900102,00000000003001,00000000000000000000800020000000400100000004c500000000000000000000004640400800,00000080090000001500c5a8502591492041400a1f,0,10,5,1,0,0,15,16,-8.766,-0.6809999999999999,0,0.0,0.178685352,-,0.3525,-,0.3525,https://www.genome.jp/dbget-bin/www_bget?dr:D06139
2174,D01335, Dibenzthion (JAN), Other antifungals for topical use,D01AE09,DERMATOLOGICALS,C1(=S)N(C[N@H+](CS1)Cc1ccccc1)Cc1ccccc1,315.476,4.0275,102.976,65.07,22,1,3,QFVAWNPSRQWSDU-UHFFFAOYSA-O,C17H19N2S2+,S=C1SC[NH+](CN1Cc1ccccc1)Cc1ccccc1,"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2/p+1",-7.4978,-6.8367,-6.0732,-5.8938,-5.2866,-3.9356,2.5831,2.6758,2.7462,2.9894,3.4792,D01335_D01AE09,08020182132004000000060000316003080000e00000000000000080000000000000400400000800008001280001000008020400400000000002000200400004000000000000000000000c00040800000080004004002001400880030000000000300022040000080000800004000000000e110000c100000000000000000000,0100000000f101,000000000000000000000000000000000040000000000000000000000000000000000600c02204,00000008084001800095b3020a0280830023692d17,0,12,29,1,0,4,40,42,-11.776,-4.57,1,0.0,0.211786732,-,0.9092,-,0.9092,https://www.genome.jp/dbget-bin/www_bget?dr:D01335
2175,D00339, Haloprogin (JAN/USAN/INN), Other antifungals for topical use,D01AE11,DERMATOLOGICALS,c1(c(cc(c(c1)Cl)Cl)Cl)OCC#CI,361.39099999999996,4.4215,68.703,9.23,5,0,1,CTETYYAZBPJBHE-UHFFFAOYSA-N,C9H4Cl3IO,Clc1cc(Cl)c(cc1OCC#CI)Cl,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",-1.7569,-0.9432,-0.3912,-0.3647,-0.3144,-0.2985,0.3153,0.3194,0.3226,0.3333,0.4047,D00339_D01AE11,000002000000300004000200000300000000000000001020008911000020000000000000000000000005000800000000000002000000000000040000000000000800090003000001020400020600800200c800400000000040080000200000000000000000000092200000000030400000024000080000200800000000800004,00000000503001,200002000000000000000000000000000000000000040000000000000000000000000200402000,0000010400000000000040004014016020c0a0151e,0,6,11,0,1,2,18,18,-9.787,-0.562,0,-1.0,0.831407428,+,0.1943,-,0.1943,https://www.genome.jp/dbget-bin/www_bget?dr:D00339
2176,D00097, Salicylic acid (JP17/USP), Other antifungals for topical use,D01AE12,DERMATOLOGICALS,c1(c(cccc1)O)C(=O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.3959,-4.2593,-2.3040000000000003,-1.6575,-1.3385,-1.2035,1.0525,1.0543,1.2628,1.9522,2.3445,D00097_D01AE12,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-5.0169999999999995,4.05,0,0.0,5.7215499999999994e-08,-,0.22699999999999998,-,0.22699999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D00097
2177,D00097, Salicylic acid (JP17/USP)," Antiinflammatory agents, non-steroids",S01BC08,SENSORY ORGANS,c1(c(cccc1)O)C(=O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.3959,-4.2593,-2.3040000000000003,-1.6575,-1.3385,-1.2035,1.0525,1.0543,1.2628,1.9522,2.3445,D00097_S01BC08,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-5.0169999999999995,4.05,0,0.0,5.7215499999999994e-08,-,0.22699999999999998,-,0.22699999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D00097
2178,D03488, Ciclopirox (USP/INN), Other antifungals for topical use,D01AE14,DERMATOLOGICALS,n1(c(cc(cc1=O)C)C1CCCCC1)O,207.269,2.4417,60.0977,42.23,19,1,3,SCKYRAXSEDYPSA-UHFFFAOYSA-N,C12H17NO2,Cc1cc(C2CCCCC2)n(c(=O)c1)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",-4.11,-1.6303,-1.581,-0.8579,-0.8112,-0.5015,0.4707,0.4763,0.5923,0.6068,1.3287,D03488_D01AE14,200400a00000220002008200060000009000400060000000000000c0000000001000d00000008221008001080021b040010020000820200200000006000000001c000c02000012004080200200880080000080400480100c6000084020080006000000000008000140000000200004000002003002410000000800010a000000,0000000000b001,070000000000000000008000200000000001000000008900000000000000000000000640403000,0010800000000020d104002c222031cb01c52dca1f,0,6,26,1,0,1,32,33,-8.998,-0.307,0,,0.077581517,-,0.9302,-,0.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D03488
2179,D03488, Ciclopirox (USP/INN), Other antiinfectives and antiseptics,G01AX12,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cc(cc1=O)C)C1CCCCC1)O,207.269,2.4417,60.0977,42.23,19,1,3,SCKYRAXSEDYPSA-UHFFFAOYSA-N,C12H17NO2,Cc1cc(C2CCCCC2)n(c(=O)c1)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",-4.11,-1.6303,-1.581,-0.8579,-0.8112,-0.5015,0.4707,0.4763,0.5923,0.6068,1.3287,D03488_G01AX12,200400a00000220002008200060000009000400060000000000000c0000000001000d00000008221008001080021b040010020000820200200000006000000001c000c02000012004080200200880080000080400480100c6000084020080006000000000008000140000000200004000002003002410000000800010a000000,0000000000b001,070000000000000000008000200000000001000000008900000000000000000000000640403000,0010800000000020d104002c222031cb01c52dca1f,0,6,26,1,0,1,32,33,-8.998,-0.307,0,,0.077581517,-,0.9302,-,0.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D03488
2180,D01364, Ciclopirox olamine (JAN/USP), Other antifungals for topical use,D01AE14,DERMATOLOGICALS,n1(c(cc(cc1=O)C)C1CCCCC1)O,207.269,2.4417,60.0977,42.23,19,1,3,SCKYRAXSEDYPSA-UHFFFAOYSA-N,C12H17NO2,Cc1cc(C2CCCCC2)n(c(=O)c1)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",-4.11,-1.6303,-1.581,-0.8579,-0.8112,-0.5015,0.4707,0.4763,0.5923,0.6068,1.3287,D01364_D01AE14,200400a00000220002008200060000009000400060000000000000c0000000001000d00000008221008001080021b040010020000820200200000006000000001c000c02000012004080200200880080000080400480100c6000084020080006000000000008000140000000200004000002003002410000000800010a000000,0000000000b001,070000000000000000008000200000000001000000008900000000000000000000000640403000,0010800000000020d104002c222031cb01c52dca1f,0,6,26,1,0,1,32,33,-8.998,-0.307,0,,0.077581517,-,0.9302,-,0.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D01364
2181,D01364, Ciclopirox olamine (JAN/USP), Other antiinfectives and antiseptics,G01AX12,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cc(cc1=O)C)C1CCCCC1)O,207.269,2.4417,60.0977,42.23,19,1,3,SCKYRAXSEDYPSA-UHFFFAOYSA-N,C12H17NO2,Cc1cc(C2CCCCC2)n(c(=O)c1)O,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",-4.11,-1.6303,-1.581,-0.8579,-0.8112,-0.5015,0.4707,0.4763,0.5923,0.6068,1.3287,D01364_G01AX12,200400a00000220002008200060000009000400060000000000000c0000000001000d00000008221008001080021b040010020000820200200000006000000001c000c02000012004080200200880080000080400480100c6000084020080006000000000008000140000000200004000002003002410000000800010a000000,0000000000b001,070000000000000000008000200000000001000000008900000000000000000000000640403000,0010800000000020d104002c222031cb01c52dca1f,0,6,26,1,0,1,32,33,-8.998,-0.307,0,,0.077581517,-,0.9302,-,0.9302,https://www.genome.jp/dbget-bin/www_bget?dr:D01364
2182,D02375, Terbinafine (USAN/INN), Other antifungals for topical use,D01AE15,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/C#CC(C)(C)C)C,292.438,3.4602,98.5657,4.44,26,1,0,DOMXUEMWDBAQBQ-WEVVVXLNSA-O,C21H26N+,C[NH+](Cc1cccc2c1cccc2)CC=CC#CC(C)(C)C,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+",-6.0511,-5.8736,-5.8572,-4.6214,-1.7796,-0.8845,1.6034,1.8441,1.8543,2.0244,2.0426,D02375_D01AE15,000200000008040400000600000110000000808200024880000020c000000000100040000000000008800008000000000000000000000000000100020000002000000000000400000000010002080000088000400000204040080000000000000015000200001000000040000020400000060100000100000080000000020000,0100000000f001,3900400204000000000000000000000000000000000000000000000000000000000042c0c32204,0000010000000100020232101c810402001259a517,0,11,36,1,1,4,48,49,-11.884,-3.929,1,0.0,0.0038195629999999998,+,0.5146,-,0.5146,https://www.genome.jp/dbget-bin/www_bget?dr:D02375
2183,D02375, Terbinafine (USAN/INN), Antifungals for systemic use,D01BA02,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/C#CC(C)(C)C)C,292.438,3.4602,98.5657,4.44,26,1,0,DOMXUEMWDBAQBQ-WEVVVXLNSA-O,C21H26N+,C[NH+](Cc1cccc2c1cccc2)CC=CC#CC(C)(C)C,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+",-6.0636,-5.8693,-5.8555,-4.6028,-1.7845,-0.8838,1.585,1.864,1.8668,2.0132,2.0262,D02375_D01BA02,000200000008040400000600000110000000808200024880000020c000000000100040000000000008800008000000000000000000000000000100020000002000000000000400000000010002080000088000400000204040080000000000000015000200001000000040000020400000060100000100000080000000020000,0100000000f001,3900400204000000000000000000000000000000000000000000000000000000000042c0c32204,0000010000000100020232101c810402001259a517,0,11,36,1,1,4,48,49,-11.884,-3.929,1,0.0,0.0038195629999999998,+,0.5146,-,0.5146,https://www.genome.jp/dbget-bin/www_bget?dr:D02375
2184,D02219, Terbinafine hydrochloride (JP17/USP), Other antifungals for topical use,D01AE15,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/C#CC(C)(C)C)C,292.438,3.4602,98.5657,4.44,26,1,0,DOMXUEMWDBAQBQ-WEVVVXLNSA-O,C21H26N+,C[NH+](Cc1cccc2c1cccc2)CC=CC#CC(C)(C)C,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+",-6.0545,-5.8631,-5.8413,-4.6139,-1.7790000000000001,-0.8821,1.5895,1.8508,1.8591,2.0075,2.0321,D02219_D01AE15,000200000008040400000600000110000000808200024880000020c000000000100040000000000008800008000000000000000000000000000100020000002000000000000400000000010002080000088000400000204040080000000000000015000200001000000040000020400000060100000100000080000000020000,0100000000f001,3900400204000000000000000000000000000000000000000000000000000000000042c0c32204,0000010000000100020232101c810402001259a517,0,11,36,1,1,4,48,49,-11.879000000000001,-3.93,1,-1.0,0.0036866840000000004,+,0.5146,-,0.5146,https://www.genome.jp/dbget-bin/www_bget?dr:D02219
2185,D02219, Terbinafine hydrochloride (JP17/USP), Antifungals for systemic use,D01BA02,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/C#CC(C)(C)C)C,292.438,3.4602,98.5657,4.44,26,1,0,DOMXUEMWDBAQBQ-WEVVVXLNSA-O,C21H26N+,C[NH+](Cc1cccc2c1cccc2)CC=CC#CC(C)(C)C,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+",-6.0542,-5.8794,-5.8536,-4.6116,-1.7801,-0.8863,1.5923,1.8592,1.8624,2.0085,2.0323,D02219_D01BA02,000200000008040400000600000110000000808200024880000020c000000000100040000000000008800008000000000000000000000000000100020000002000000000000400000000010002080000088000400000204040080000000000000015000200001000000040000020400000060100000100000080000000020000,0100000000f001,3900400204000000000000000000000000000000000000000000000000000000000042c0c32204,0000010000000100020232101c810402001259a517,0,11,36,1,1,4,48,49,-11.879000000000001,-3.93,1,-1.0,0.0036866840000000004,+,0.5146,-,0.5146,https://www.genome.jp/dbget-bin/www_bget?dr:D02219
2186,D02923, Amorolfine (USAN/INN), Other antifungals for topical use,D01AE16,DERMATOLOGICALS,c1(ccc(cc1)C[C@@H](C[N@@H+]1C[C@H](O[C@H](C1)C)C)C)C(CC)(C)C,318.517,4.8141,105.493,13.67,37,1,1,MQHLMHIZUIDKOO-OKZBNKHCSA-O,C21H36NO+,CCC(c1ccc(cc1)CC(C[NH+]1CC(C)OC(C1)C)C)(C)C,"InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/p+1/t16-,17-,18+/m0/s1",-6.0433,-4.5477,-4.5461,-4.5051,-1.6618,-1.6588,1.4202,1.4677,1.5706,1.5732,1.5751,D02923_D01AE16,00260000000000000a0006000002000001000010000000000000008000040000100040000000001200000018000100000102000000000000000000020000001008010c000810080000000000020000000088004000003008c0080800000900000000002000000000000000008000000000060180000110000002000000000000,0100000030f001,0f8040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000101020632420a8886830813d9b51f,0,6,54,0,0,6,59,60,-12.042,-3.889,3,1.0,0.079066977,+,0.9575,-,0.9575,https://www.genome.jp/dbget-bin/www_bget?dr:D02923
2187,D01720, Amorolfine hydrochloride (JAN), Other antifungals for topical use,D01AE16,DERMATOLOGICALS,c1(ccc(cc1)C[C@@H](C[N@@H+]1C[C@H](O[C@H](C1)C)C)C)C(CC)(C)C,318.517,4.8141,105.493,13.67,37,1,1,MQHLMHIZUIDKOO-OKZBNKHCSA-O,C21H36NO+,CCC(c1ccc(cc1)CC(C[NH+]1CC(C)OC(C1)C)C)(C)C,"InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/p+1/t16-,17-,18+/m0/s1",-6.0647,-4.6264,-4.5614,-4.5348,-1.6994,-1.6349,1.4189,1.4758,1.5444,1.6197,1.6267,D01720_D01AE16,00260000000000000a0006000002000001000010000000000000008000040000100040000000001200000018000100000102000000000000000000020000001008010c000810080000000000020000000088004000003008c0080800000900000000002000000000000000008000000000060180000110000002000000000000,0100000030f001,0f8040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000101020632420a8886830813d9b51f,0,6,54,0,0,6,59,60,-12.045,-3.889,3,0.0,0.079044029,+,0.9575,-,0.9575,https://www.genome.jp/dbget-bin/www_bget?dr:D01720
2188,D01702, Dimazole dihydrochloride (JAN), Other antifungals for topical use,D01AE17,DERMATOLOGICALS,c1c(cc2c(c1)nc(s2)N(C)C)OCC[NH+](CC)CC,294.436,1.6658,88.5077,58.04,27,1,4,WGMYEOIMVYADRJ-UHFFFAOYSA-O,C15H24N3OS+,CC[NH+](CCOc1ccc2c(c1)sc(n2)N(C)C)CC,"InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3/p+1",-6.0332,-4.5583,-4.5466,-4.4988,-3.9739,-2.9971,1.433,1.5685,1.5773,1.5859,1.6691,D01702_D01AE17,000641040000000000280e0008020000050c0000000000400000000c0020000000002102000880728000044c000000400000a2001000200080400000000000100c040c00c1300001000040022600800000800050040a2000401800010000400018800210000108020080800080100c0002060000080000200800001002200304,0100000050f021,01004202040000000000000000000000000020000000d000000000000000000000004600c02200,00000000084001000112b7d0985bab635973dcbd1f,0,10,35,0,0,7,44,45,-10.234,-4.102,0,2.0,0.000111949,-,0.4338,-,0.4338,https://www.genome.jp/dbget-bin/www_bget?dr:D01702
2189,D00381, Tolnaftate (JP17/USP/INN), Other antifungals for topical use,D01AE18,DERMATOLOGICALS,c12c(cc(cc1)OC(=S)N(c1cc(ccc1)C)C)cccc2,307.409,4.9483,96.925,44.56,20,0,3,FUSNMLFNXJSCDI-UHFFFAOYSA-N,C19H17NOS,Cc1cccc(c1)N(C(=S)Oc1ccc2c(c1)cccc2)C,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",-2.888,-1.9292,-1.4057,-1.4005,-0.5566,-0.5107,0.4198,0.4732,0.4768,0.6828,0.9447,D00381_D01AE18,0800010800000000000006000082400080000000004000040200038000000400002040000200002018400008000004400006420000000008000880020080040008001000610000010000000002002000008000400400200050080000040200040000002000000002000000000050000000020100080100600800000002000000,00000000503001,010000000000000000000000000000000040000000000000000000000000000000004200402000,00000000004000000001911010231162504099b81f,0,17,23,1,0,4,39,41,-8.456,-0.67,0,-1.0,0.7888915540000001,-,0.4945,-,0.4945,https://www.genome.jp/dbget-bin/www_bget?dr:D00381
2190,D01384, Tolciclate (JAN/USAN/INN), Other antifungals for topical use,D01AE19,DERMATOLOGICALS,[C@@H]12C[C@H](c3cc(OC(=S)N(c4cc(ccc4)C)C)ccc13)CC2,323.452,5.1598,99.544,44.56,24,0,3,CANCCLAKQQHLNK-HUUCEWRRSA-N,C20H21NOS,Cc1cccc(c1)N(C(=S)Oc1ccc2c(c1)C1CCC2C1)C,"InChI=1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3/t14-,15-/m1/s1",-2.8865,-1.9243,-1.4077,-1.4029,-0.5592,-0.5215,0.4373,0.4701,0.4949,0.657,0.9447,D01384_D01AE19,0804010800000000020006010282400080000000004012040300038000000400102040000240002010440008000104400106420000200808000880020082040008001200610000010010202002002000008000400400300850080800040a000481000020000004020200004000500000000201000a0100600800004302000000,00000000503001,070000000000000000000000000000000040000000000000000000000000000000004200402004,0000000000400000000191901023316251c09db81f,0,12,34,1,0,4,44,47,-7.4239999999999995,-0.48100000000000004,2,,0.83408004,+,1.6824,-,1.6824,https://www.genome.jp/dbget-bin/www_bget?dr:D01384
2191,D00323, Flucytosine (JP17/USP/INN), Other antifungals for topical use,D01AE21,DERMATOLOGICALS,c1(c(c[nH]c(=O)[nH]1)F)N,130.1,0.2866,30.1828,74.67,7,3,2,BWZWEULXQMADKA-UHFFFAOYSA-N,C4H5FN3O,Nc1c(F)c[nH]c(=O)[nH]1,"InChI=1S/C4H5FN3O/c5-2-1-7-4(9)8-3(2)6/h1,8H,(H3,6,7,9)",-5.5929,-5.3458,-5.3432,-5.0465,-5.0409,-4.6277,2.2871,2.658,2.66,2.9621,3.3187,D00323_D01AE21,0002000001001000110004000000000000000010000000000000000000000004180020000000000000040b100001000000000000000000000000000000000000000000000000000000004000009000010000004000002002000100000100000000200000040000000020000000000000000c0000000010000010000000000000,0000000000a041,000100000000000003000000000000000040040000000000000000000000000000000400400804,000000003006100000904a020b2690413461602b1d,1,0,16,1,0,0,17,17,-14.525,-6.041,0,0.0,1.88915e-07,-,0.637,-,0.637,https://www.genome.jp/dbget-bin/www_bget?dr:D00323
2192,D00323, Flucytosine (JP17/USP/INN), Other antimycotics for systemic use,J02AX01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(c[nH]c(=O)[nH]1)F)N,130.1,0.2866,30.1828,74.67,7,3,2,BWZWEULXQMADKA-UHFFFAOYSA-N,C4H5FN3O,Nc1c(F)c[nH]c(=O)[nH]1,"InChI=1S/C4H5FN3O/c5-2-1-7-4(9)8-3(2)6/h1,8H,(H3,6,7,9)",-5.5929,-5.3458,-5.3432,-5.0465,-5.0409,-4.6277,2.2871,2.658,2.66,2.9621,3.3187,D00323_J02AX01,0002000001001000110004000000000000000010000000000000000000000004180020000000000000040b100001000000000000000000000000000000000000000000000000000000004000009000010000004000002002000100000100000000200000040000000020000000000000000c0000000010000010000000000000,0000000000a041,000100000000000003000000000000000040040000000000000000000000000000000400400804,000000003006100000904a020b2690413461602b1d,1,0,16,1,0,0,17,17,-14.525,-6.041,0,0.0,1.88915e-07,-,0.637,-,0.637,https://www.genome.jp/dbget-bin/www_bget?dr:D00323
2193,D08245, Naftifine (INN), Other antifungals for topical use,D01AE22,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/c1ccccc1)C,288.406,3.5679,97.1007,4.44,22,1,0,OZGNYLLQHRPOBR-DHZHZOJOSA-O,C21H22N+,C[NH+](Cc1cccc2c1cccc2)CC=Cc1ccccc1,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/p+1/b11-8+",-6.0472,-5.89,-5.8883,-4.6160000000000005,-1.7844,-0.8856,1.5993,1.8471,1.8642,2.0329,2.0331,D08245_D01AE22,00020000000004040000060000014000000001c000224800000000c000000000000040000000000008800008000000000000800000000000000100020004002000000000020400000000010002080000008000400000200040084000000000000014000280001080000000000000000000060100000100000080000000000000,0100000000f001,100040020400000000000000000000000000000000000000000000000000000000004240c32204,0000000000000100000032101c010402000249a517,0,17,28,1,0,5,44,46,-11.821,-3.909,1,0.0,0.095637582,+,0.6529,+,0.6529,https://www.genome.jp/dbget-bin/www_bget?dr:D08245
2194,D00883, Naftifine hydrochloride (USP), Other antifungals for topical use,D01AE22,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@@H+](C/C=C/c1ccccc1)C,288.406,3.5679,97.1007,4.44,22,1,0,OZGNYLLQHRPOBR-DHZHZOJOSA-O,C21H22N+,C[NH+](Cc1cccc2c1cccc2)CC=Cc1ccccc1,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/p+1/b11-8+",-6.0645,-5.8738,-5.8692,-4.6093,-1.7822,-0.8801,1.6008,1.8557,1.8636,2.0345,2.0386,D00883_D01AE22,00020000000004040000060000014000000001c000224800000000c000000000000040000000000008800008000000000000800000000000000100020004002000000000020400000000010002080000008000400000200040084000000000000014000280001080000000000000000000060100000100000080000000000000,0100000000f001,100040020400000000000000000000000000000000000000000000000000000000004240c32204,0000000000000100000032101c010402000249a517,0,17,28,1,0,5,44,46,-11.815999999999999,-3.909,1,,0.09567348699999999,+,0.6529,+,0.6529,https://www.genome.jp/dbget-bin/www_bget?dr:D00883
2195,D07596, Butenafine (INN), Other antifungals for topical use,D01AE23,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@H+](Cc1ccc(cc1)C(C)(C)C)C,318.475,4.3522,106.439,4.44,28,1,0,ABJKWBDEJIDSJZ-UHFFFAOYSA-O,C23H28N+,C[NH+](Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3/p+1",-6.0728,-5.81,-5.7917,-4.6086,-0.8783,-0.8718,1.6129,1.8102,1.8315,2.0744,2.102,D07596_D01AE23,000600000000040002000600000100000000008000000000000000c000000000100040000000000008800008000000000000000000000000000000020020000000000000000400000000000002080080008800400000200840080800000100000010000200000000000000000000000000060100000100000000000000000000,0100000000f001,090040020400000000000000000000000000000000000000000000000000000000004200c02204,00000000000001000202321018810402001259a517,0,17,37,0,0,5,52,54,-11.81,-3.782,1,0.0,0.228871629,+,0.8801,-,0.8801,https://www.genome.jp/dbget-bin/www_bget?dr:D07596
2196,D01093, Butenafine hydrochloride (JP17/USAN), Other antifungals for topical use,D01AE23,DERMATOLOGICALS,c1ccc2c(c1)c(ccc2)C[N@H+](Cc1ccc(cc1)C(C)(C)C)C,318.475,4.3522,106.439,4.44,28,1,0,ABJKWBDEJIDSJZ-UHFFFAOYSA-O,C23H28N+,C[NH+](Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3/p+1",-6.0575,-5.8624,-5.8108,-4.5932,-0.8887,-0.8795,1.5821,1.8633,1.8701,2.0247,2.0253,D01093_D01AE23,000600000000040002000600000100000000008000000000000000c000000000100040000000000008800008000000000000000000000000000000020020000000000000000400000000000002080080008800400000200840080800000100000010000200000000000000000000000000060100000100000000000000000000,0100000000f001,090040020400000000000000000000000000000000000000000000000000000000004200c02204,00000000000001000202321018810402001259a517,0,17,37,0,0,5,52,54,-11.812000000000001,-3.783,1,,0.22877812399999997,+,0.8801,-,0.8801,https://www.genome.jp/dbget-bin/www_bget?dr:D01093
2197,D02456, Aminobenzoic acid (USP), Protectives against UV-radiation for topical use,D02BA01,DERMATOLOGICALS,c1cc(ccc1C(=O)O)N,137.136,1.5482,37.8057,63.32,9,2,3,ALYNCZNDIQEVRV-UHFFFAOYSA-N,C7H7NO2,OC(=O)c1ccc(cc1)N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",-5.1069,-5.1044,-4.3937,-4.2716,-1.4458,-1.3329,0.8022,1.1529,1.3247,1.3673,2.3208,D02456_D02BA01,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400000000000000000000000020000000008000800400000000000000000800000008000400400000040080000000100000000000000000000004000000000000000020980000100000008000002000000,0400000c00b023,000040080000000000008800000000000001000000000000000000000000000000000240402800,000000000000000000000800000000045404407a1f,0,6,10,1,0,1,17,17,-4.441,4.332,0,-1.0,4.63698e-08,-,0.1528,-,0.1528,https://www.genome.jp/dbget-bin/www_bget?dr:D02456
2198,D02906, Aminobenzoate potassium (USP), Protectives against UV-radiation for topical use,D02BA01,DERMATOLOGICALS,c1c(ccc(c1)N)C(=O)O,137.136,1.5482,37.8057,63.32,9,2,3,ALYNCZNDIQEVRV-UHFFFAOYSA-N,C7H7NO2,OC(=O)c1ccc(cc1)N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",-5.1046,-5.1027,-4.3945,-4.2719,-1.4467,-1.3330000000000002,0.8019,1.1498,1.3316,1.3691,2.3225,D02906_D02BA01,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400000000000000000000000020000000008000800400000000000000000800000008000400400000040080000000100000000000000000000004000000000000000020980000100000008000002000000,0400000c00b023,000040080000000000008800000000000001000000000000000000000000000000000240402800,000000000000000000000800000000045404407a1f,0,6,10,1,0,1,17,17,-4.442,4.335,0,2.0,4.5221e-08,-,0.1445,-,0.1445,https://www.genome.jp/dbget-bin/www_bget?dr:D02906
2199,D02907, Aminobenzoate sodium (USP), Protectives against UV-radiation for topical use,D02BA01,DERMATOLOGICALS,c1c(ccc(c1)N)C(=O)O,137.136,1.5482,37.8057,63.32,9,2,3,ALYNCZNDIQEVRV-UHFFFAOYSA-N,C7H7NO2,OC(=O)c1ccc(cc1)N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",-5.1046,-5.1027,-4.3945,-4.2719,-1.4467,-1.3330000000000002,0.8019,1.1498,1.3316,1.3691,2.3225,D02907_D02BA01,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400000000000000000000000020000000008000800400000000000000000800000008000400400000040080000000100000000000000000000004000000000000000020980000100000008000002000000,0400000c00b023,000040080000000000008800000000000001000000000000000000000000000000000240402800,000000000000000000000800000000045404407a1f,0,6,10,1,0,1,17,17,-4.442,4.332,0,0.0,4.51996e-08,-,0.1445,-,0.1445,https://www.genome.jp/dbget-bin/www_bget?dr:D02907
2200,D05225, Octinoxate (USP/INN), Protectives against UV-radiation for topical use,D02BA02,DERMATOLOGICALS,c1c(ccc(c1)/C=C/C(=O)OC[C@H](CCCC)CC)OC,290.397,4.468,87.573,35.53,29,0,3,YBGZDTIWKVFICR-VOMSXAGXSA-N,C18H26O3,CCCCC(COC(=O)C=Cc1ccc(cc1)OC)CC,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+/t15-/m0/s1",-4.7963,-3.2058,-1.2039,-1.0258,-0.9338,-0.85,0.4676,0.5205,0.5742,0.6919,1.2046,D05225_D02BA02,10000000000002040200020000024000000400400020420000000080001400001000400001000001000a0008200000000100020018a04120000000020004820008100800030000010000800002800004008000400000004040080000000080010004000080000482000000000010080000030100080100200800000100000400,04000000703005,170002000000000000009000000000000001000000000000000000000000000000000240436804,00000000000000000000001004182fe4015096d71e,0,6,39,2,0,10,47,47,-9.079,-0.635,1,1.0,0.5227425689999999,-,0.7666,-,0.7666,https://www.genome.jp/dbget-bin/www_bget?dr:D05225
2201,D00156, Glycyrrhetinic acid (JAN), Other cicatrizants,D03AX10,DERMATOLOGICALS,C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C)C)(C)C)O,470.684,6.4126,136.85399999999998,74.6,49,2,4,MPDGHEJMBKOTSU-YKLVYJNSSA-N,C30H46O4,O=C1C=C2C3CC(C)(CCC3(C)CCC2(C2(C1C1(C)CCC(C(C1CC2)(C)C)O)C)C)C(=O)O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1",-4.5617,-4.4269,-3.3002,-1.9197,-1.3334,-0.8096,0.6893,0.7293,0.7658,0.8209,2.3831,D00156_D03AX10,00000000000002240000000000000000000000800040400000000000000020001000000000800001800a0000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000008801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a003,1f2800000000010000008800000000000001000000000000000000000000000000004040407805,0000000200000200020a000694892cc48d5cb7d21c,0,0,81,3,0,1,80,84,-4.526,2.4219999999999997,9,,0.041505217999999997,-,4.3762,-,4.3762,https://www.genome.jp/dbget-bin/www_bget?dr:D00156
2202,D00215, Trolamine (NF), Other cicatrizants,D03AX12,DERMATOLOGICALS,[NH+](CCO)(CCO)CCO,150.196,-3.1518,38.5951,65.13,19,4,3,GSEJCLTVZPLZKY-UHFFFAOYSA-O,C6H16NO3+,OCC[NH+](CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2/p+1",-5.9874,-4.578,-4.5379,-4.5365,-2.0372,-2.0352,1.568,1.5822,1.5939,3.1388,3.2174,D00215_D03AX12,0002000000000000000004000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000001008000800000020000000000002000000000000400000200000000000000000000000000000000000000000008000000000040000000000000000000000000000,0100001c00e000,001840020400000000000000000000000000000000000000000000000000000000000000c02200,000000000000210000003244885020820d064e7509,0,0,25,0,0,6,26,25,-15.537,-4.587,0,1.0,,+,0.8190000000000001,-,0.8190000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00215
2203,D08501, Trolamine salicylate (USP), Other cicatrizants,D03AX12,DERMATOLOGICALS,c1(c(cccc1)O)C(=O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.3959,-4.2593,-2.3040000000000003,-1.6575,-1.3385,-1.2035,1.0525,1.0543,1.2628,1.9522,2.3445,D08501_D03AX12,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-5.018,4.052,0,1.0,5.71901e-08,-,0.22699999999999998,-,0.22699999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D08501
2204,D08587, Thonzylamine (INN), Antihistamines for topical use,D04AA01,DERMATOLOGICALS,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.1369,-6.0265,-4.8157,-4.8062,-4.6307,-4.6146,1.9311,2.1921,2.3627,3.1412,3.1779,D08587_D04AA01,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.071,-4.062,0,0.0,7.64841e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D08587
2205,D08587, Thonzylamine (INN)," Antiallergic agents, excl. corticosteroids",R01AC06,RESPIRATORY SYSTEM,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.1817,-6.0063,-4.8366,-4.792,-4.6422,-4.6274,2.191,2.3226,2.3647,3.1725,3.1762,D08587_R01AC06,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.071,-4.062,0,0.0,7.64841e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D08587
2206,D08587, Thonzylamine (INN), Substituted ethylene diamines,R06AC06,RESPIRATORY SYSTEM,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.1272,-6.0093,-4.8505,-4.8015,-4.6265,-4.6029,2.2216,2.3742,2.5371,3.1148,3.21,D08587_R06AC06,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.071,-4.062,0,0.0,7.64841e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D08587
2207,D01801, Thonzylamine hydrochloride (JAN/USAN), Antihistamines for topical use,D04AA01,DERMATOLOGICALS,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.2195,-6.0063,-4.8482,-4.8005,-4.6558,-4.6255,2.2094,2.3818,3.0819,3.1698,3.1919,D01801_D04AA01,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.077,-4.063,0,,7.65236e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01801
2208,D01801, Thonzylamine hydrochloride (JAN/USAN)," Antiallergic agents, excl. corticosteroids",R01AC06,RESPIRATORY SYSTEM,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.2942,-6.0035,-4.8334,-4.7799,-4.6212,-4.6116,2.2368,2.3545,2.4034,3.1899,3.2199,D01801_R01AC06,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.077,-4.063,0,,7.65236e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01801
2209,D01801, Thonzylamine hydrochloride (JAN/USAN), Substituted ethylene diamines,R06AC06,RESPIRATORY SYSTEM,n1cccnc1N(Cc1ccc(cc1)OC)CC[NH+](C)C,287.38,0.6363,85.7927,42.69,27,1,4,GULNIHOSWFYMRN-UHFFFAOYSA-O,C16H23N4O+,COc1ccc(cc1)CN(c1ncccn1)CC[NH+](C)C,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3/p+1",-6.3037,-5.9659,-4.7749,-4.7525,-4.6774,-4.6352,2.2388,2.3503,3.1219,3.2581,3.2746,D01801_R06AC06,800200000010044000084600180300080000008000002200800000c00000000000004002400880200080002e000000000000a2000000400000400002000000000c001c00010400010020000002080000008000400400200040080120000100000010000200200402004000000010000000060104080100200800000002000000,0100000050f021,000042020400000000000000000000000000000000009000000000000000000000000600c02200,000000010000010001d232148a42ad635173ddbd1f,0,12,33,0,0,7,44,45,-11.077,-4.063,0,,7.65236e-05,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D01801
2210,D08183, Mepyramine (INN), Antihistamines for topical use,D04AA02,DERMATOLOGICALS,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-6.0037,-4.644,-4.6192,-4.5719,-4.1082,-3.4682,1.5739,1.5992,1.7237,2.8566,3.1521,D08183_D04AA02,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.02,-4.129,0,1.0,0.002428948,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D08183
2211,D08183, Mepyramine (INN), Substituted ethylene diamines,R06AC01,RESPIRATORY SYSTEM,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-5.9933,-4.6406,-4.6321,-4.5799,-4.2043,-3.5297,1.584,1.6194,1.7387,2.8036,3.1948,D08183_R06AC01,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.02,-4.129,0,1.0,0.002428948,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D08183
2212,D05660, Pyrilamine maleate (USP), Antihistamines for topical use,D04AA02,DERMATOLOGICALS,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-5.9533,-4.6505,-4.6237,-4.5605,-4.1732,-3.5301,1.5661,1.6137,1.7184,3.0816,3.2122,D05660_D04AA02,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.019,-4.129,0,-1.0,0.002422676,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D05660
2213,D05660, Pyrilamine maleate (USP), Substituted ethylene diamines,R06AC01,RESPIRATORY SYSTEM,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-6.0222,-4.6156,-4.615,-4.5137,-4.1636,-3.4629,1.5841,1.5904,1.7229,2.028,3.0612,D05660_R06AC01,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.019,-4.129,0,-1.0,0.002422676,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D05660
2214,D08184, Mepyramine theophyllineacetate, Antihistamines for topical use,D04AA02,DERMATOLOGICALS,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-6.0023,-4.6453,-4.6356,-4.5577,-4.2245,-3.5429,1.5704,1.6029,1.7229,2.4155,3.2182,D08184_D04AA02,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.02,-4.13,0,0.0,0.002427976,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D08184
2215,D08184, Mepyramine theophyllineacetate, Substituted ethylene diamines,R06AC01,RESPIRATORY SYSTEM,c1c(ccc(c1)CN(CC[NH+](C)C)c1ncccc1)OC,286.392,1.2413,87.9977,29.8,27,1,3,YECBIJXISLIIDS-UHFFFAOYSA-O,C17H24N3O+,COc1ccc(cc1)CN(c1ccccn1)CC[NH+](C)C,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/p+1",-6.0243,-4.6288,-4.6185,-4.5204,-4.2155,-3.5147,1.5809,1.6009,1.7121,2.2298,3.1087,D08184_R06AC01,000200000010040000080600188300088000008080002200800000c00000000002006002000881200080002e000010400000a2000000200800400002000004000c001c0001040001002000000208000000c0004004002000400a0120000100000010000200000402000000000010040000060104284100200800000002400000,0100000050f021,000042020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402d635173ddbd1f,0,12,34,0,0,7,45,46,-11.02,-4.13,0,0.0,0.002427976,+,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D08184
2216,D07194, Thenalidine (INN), Antihistamines for topical use,D04AA03,DERMATOLOGICALS,C1[N@@H+](CC[C@@H](C1)N(c1ccccc1)Cc1sccc1)C,287.443,4.001,92.7077,35.92,24,1,2,KLOHYVOVXOUKQI-UHFFFAOYSA-O,C17H23N2S+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1cccs1,"InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3/p+1",-6.032,-4.6064,-4.6047,-4.6047,-4.4643,-3.0018,1.4396,1.4556,1.5956,1.5958,1.6099,D07194_D04AA03,0002c100000000201000060000830000840000900000000002000044000000021000500000000120808000580010106009020000000020080c000002001004000000000040240200200000001208000080c0015004022000e0090000000000000250000280000000000000000000042000060000000110020004000102400100,0100000000f021,02004002050000000000000000000000000000000000c000000000000000000000000600c02204,00000000080001000084b7948a40ac8351234dad17,0,11,34,0,0,4,43,45,-11.575,-3.9560000000000004,0,1.0,0.01630293,+,0.9604,-,0.9604,https://www.genome.jp/dbget-bin/www_bget?dr:D07194
2217,D07194, Thenalidine (INN), Other antihistamines for systemic use,R06AX03,RESPIRATORY SYSTEM,C1[N@@H+](CC[C@@H](C1)N(c1ccccc1)Cc1sccc1)C,287.443,4.001,92.7077,35.92,24,1,2,KLOHYVOVXOUKQI-UHFFFAOYSA-O,C17H23N2S+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1cccs1,"InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3/p+1",-6.0307,-4.6098,-4.6057,-4.6034,-4.4595,-2.988,1.4387,1.4588,1.5934,1.5975,1.6108,D07194_R06AX03,0002c100000000201000060000830000840000900000000002000044000000021000500000000120808000580010106009020000000020080c000002001004000000000040240200200000001208000080c0015004022000e0090000000000000250000280000000000000000000042000060000000110020004000102400100,0100000000f021,02004002050000000000000000000000000000000000c000000000000000000000000600c02204,00000000080001000084b7948a40ac8351234dad17,0,11,34,0,0,4,43,45,-11.575,-3.9560000000000004,0,1.0,0.01630293,+,0.9604,-,0.9604,https://www.genome.jp/dbget-bin/www_bget?dr:D07194
2218,D08645, Tripelennamine (INN), Antihistamines for topical use,D04AA04,DERMATOLOGICALS,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-6.0141,-4.6409,-4.6315,-4.5888,-4.1604,-3.4930000000000003,1.5948,1.6213,1.7231,2.2278,3.1543,D08645_D04AA04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.777999999999999,-4.143,0,0.0,0.0022707870000000002,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D08645
2219,D08645, Tripelennamine (INN), Substituted ethylene diamines,R06AC04,RESPIRATORY SYSTEM,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-6.0548,-4.6372,-4.6346,-4.5612,-4.1888,-3.4989999999999997,1.6019,1.6098,1.7253,2.4408,3.1738,D08645_R06AC04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.777999999999999,-4.143,0,0.0,0.0022707870000000002,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D08645
2220,D02091, Tripelennamine hydrochloride (USP), Antihistamines for topical use,D04AA04,DERMATOLOGICALS,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-5.985,-4.6161,-4.6131,-4.5579,-4.1893,-3.5194,1.5909,1.5947,1.7236,2.965,3.1864,D02091_D04AA04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.78,-4.144,0,1.0,0.002271469,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D02091
2221,D02091, Tripelennamine hydrochloride (USP), Substituted ethylene diamines,R06AC04,RESPIRATORY SYSTEM,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-6.0291,-4.6182,-4.6128,-4.5692,-4.2108,-3.5528,1.5875,1.5921,1.7227,2.2717,3.2003,D02091_R06AC04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.78,-4.144,0,1.0,0.002271469,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D02091
2222,D06246, Tripelennamine citrate, Antihistamines for topical use,D04AA04,DERMATOLOGICALS,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-6.0112,-4.6387,-4.6088,-4.5778,-4.1885,-3.5134,1.5962,1.6048,1.7303,2.421,3.1844,D06246_D04AA04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.78,-4.144,0,0.0,0.0022658929999999997,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D06246
2223,D06246, Tripelennamine citrate, Substituted ethylene diamines,R06AC04,RESPIRATORY SYSTEM,c1cccc(c1)CN(c1ncccc1)CC[NH+](C)C,256.366,1.2327,81.5057,20.57,24,1,2,UFLGIAIHIAPJJC-UHFFFAOYSA-O,C16H22N3+,C[NH+](CCN(c1ccccn1)Cc1ccccc1)C,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-5.9721,-4.6633,-4.6312,-4.5646,-4.144,-3.5773,1.6003,1.6262,1.7235,3.1753,3.2741,D06246_R06AC04,000200000010040000080600188100088000008080000000800000c00000000002006002000881200080002e000010400000a00000002008004000020000040004001c0000040000002000000208000000c0004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002400000,0100000000f021,000040020400000000000000000000010000000000009000000000000000000000000600c02200,0000000020000100015232148a402c0351235dad17,0,12,30,0,0,6,41,42,-11.78,-4.144,0,0.0,0.0022658929999999997,+,0.4733,-,0.4733,https://www.genome.jp/dbget-bin/www_bget?dr:D06246
2224,D07195, Chloropyramine (INN), Antihistamines for topical use,D04AA09,DERMATOLOGICALS,n1ccccc1N(Cc1ccc(cc1)Cl)CC[NH+](C)C,290.811,1.8861,86.5157,20.57,23,1,2,ICKFFNBDFNZJSX-UHFFFAOYSA-O,C16H21ClN3+,C[NH+](CCN(c1ccccn1)Cc1ccc(cc1)Cl)C,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3/p+1",-6.0276,-4.637,-4.606,-4.5317,-4.1652,-3.4951,1.585,1.5856,1.7183,2.1083,3.1264,D07195_D04AA09,000202000010040000080600188100088000008080000400800000c00020000002006002000881200081002e000010400000a00000002008004000020000040004001c0000040000002000004608000200c8004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002c00000,0100000000f021,000040020400000000000000000000010000000000049000000000000000000000000600c02200,000000002000010001527214ca442c0371235dad17,0,12,30,0,0,6,41,42,-11.719000000000001,-4.197,0,-1.0,0.007493919,+,0.374,-,0.374,https://www.genome.jp/dbget-bin/www_bget?dr:D07195
2225,D07195, Chloropyramine (INN), Substituted ethylene diamines,R06AC03,RESPIRATORY SYSTEM,n1ccccc1N(Cc1ccc(cc1)Cl)CC[NH+](C)C,290.811,1.8861,86.5157,20.57,23,1,2,ICKFFNBDFNZJSX-UHFFFAOYSA-O,C16H21ClN3+,C[NH+](CCN(c1ccccn1)Cc1ccc(cc1)Cl)C,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3/p+1",-5.9658,-4.628,-4.6125,-4.6036,-4.2435,-3.5454,1.6084,1.6086,1.726,3.175,3.2269,D07195_R06AC03,000202000010040000080600188100088000008080000400800000c00020000002006002000881200081002e000010400000a00000002008004000020000040004001c0000040000002000004608000200c8004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002c00000,0100000000f021,000040020400000000000000000000010000000000049000000000000000000000000600c02200,000000002000010001527214ca442c0371235dad17,0,12,30,0,0,6,41,42,-11.719000000000001,-4.197,0,-1.0,0.007493919,+,0.374,-,0.374,https://www.genome.jp/dbget-bin/www_bget?dr:D07195
2226,D07679, Chloropyramine hydrochloride, Antihistamines for topical use,D04AA09,DERMATOLOGICALS,n1ccccc1N(Cc1ccc(cc1)Cl)CC[NH+](C)C,290.811,1.8861,86.5157,20.57,23,1,2,ICKFFNBDFNZJSX-UHFFFAOYSA-O,C16H21ClN3+,C[NH+](CCN(c1ccccn1)Cc1ccc(cc1)Cl)C,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3/p+1",-6.0133,-4.6298,-4.625,-4.5878,-4.2384,-3.5489,1.5906,1.6012,1.7264,2.832,3.2182,D07679_D04AA09,000202000010040000080600188100088000008080000400800000c00020000002006002000881200081002e000010400000a00000002008004000020000040004001c0000040000002000004608000200c8004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002c00000,0100000000f021,000040020400000000000000000000010000000000049000000000000000000000000600c02200,000000002000010001527214ca442c0371235dad17,0,12,30,0,0,6,41,42,-11.722000000000001,-4.198,0,0.0,0.007501594,+,0.374,-,0.374,https://www.genome.jp/dbget-bin/www_bget?dr:D07679
2227,D07679, Chloropyramine hydrochloride, Substituted ethylene diamines,R06AC03,RESPIRATORY SYSTEM,n1ccccc1N(Cc1ccc(cc1)Cl)CC[NH+](C)C,290.811,1.8861,86.5157,20.57,23,1,2,ICKFFNBDFNZJSX-UHFFFAOYSA-O,C16H21ClN3+,C[NH+](CCN(c1ccccn1)Cc1ccc(cc1)Cl)C,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3/p+1",-5.9909,-4.6358,-4.6217,-4.572,-4.1599,-3.5112,1.5699,1.6116,1.7212,2.6199,3.2119999999999997,D07679_R06AC03,000202000010040000080600188100088000008080000400800000c00020000002006002000881200081002e000010400000a00000002008004000020000040004001c0000040000002000004608000200c8004004002000400a0120000100000010000200000000000000000000040000060104204100000000000002c00000,0100000000f021,000040020400000000000000000000010000000000049000000000000000000000000600c02200,000000002000010001527214ca442c0371235dad17,0,12,30,0,0,6,41,42,-11.722000000000001,-4.198,0,0.0,0.007501594,+,0.374,-,0.374,https://www.genome.jp/dbget-bin/www_bget?dr:D07679
2228,D00494, Promethazine (JAN/INN), Antihistamines for topical use,D04AA10,DERMATOLOGICALS,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0189,-4.6029,-4.5972,-4.4971,-2.0361,-1.9535,1.4844,1.5698,1.5778,1.581,1.6968,D00494_D04AA10,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.501,-4.124,1,0.0,0.00799919,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D00494
2229,D00494, Promethazine (JAN/INN), Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0152,-4.6019,-4.6005,-4.499,-2.0271,-1.9591,1.4871,1.5679,1.5758,1.577,1.6946,D00494_R06AD02,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.501,-4.124,1,0.0,0.00799919,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D00494
2230,D00480, Promethazine hydrochloride (JP17/USP), Antihistamines for topical use,D04AA10,DERMATOLOGICALS,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0123,-4.6066,-4.5961,-4.5053,-2.0311,-1.9563,1.4904,1.5709,1.5734,1.5776,1.694,D00480_D04AA10,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.501,-4.124,1,,0.008001801999999999,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D00480
2231,D00480, Promethazine hydrochloride (JP17/USP), Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.018,-4.6199,-4.6055,-4.5078,-2.0404,-1.9643,1.4796,1.5889,1.5894,1.5958,1.7082,D00480_R06AD02,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.501,-4.124,1,,0.008001801999999999,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D00480
2232,D01242, Promethazine teoclate (JAN/INN), Antihistamines for topical use,D04AA10,DERMATOLOGICALS,c12c(cccc1)Sc1c(N2C[C@@H](C)[NH+](C)C)cccc1,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0099,-4.6032,-4.5906,-4.4908,-2.0432,-1.9624,1.4813,1.5707,1.5725,1.5816,1.6937,D01242_D04AA10,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.504000000000001,-4.117,1,,0.007898801,+,0.6046,-,0.6046,https://www.genome.jp/dbget-bin/www_bget?dr:D01242
2233,D01242, Promethazine teoclate (JAN/INN), Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,c12c(cccc1)Sc1c(N2C[C@@H](C)[NH+](C)C)cccc1,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0441,-4.6163,-4.6081,-4.4859,-2.0454,-1.9335,1.4782,1.5764,1.5947,1.6157,1.7127,D01242_R06AD02,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.504000000000001,-4.117,1,,0.007898801,+,0.6046,-,0.6046,https://www.genome.jp/dbget-bin/www_bget?dr:D01242
2234,D03290, Promethazine methylenedisalicylate (JAN, Antihistamines for topical use,D04AA10,DERMATOLOGICALS,c1(c(ccc(c1)Cc1ccc(c(c1)C(=O)O)O)O)C(=O)O,288.252,2.085,73.8596,115.06,16,4,6,JWQFKVGACKJIAV-UHFFFAOYSA-N,C15H12O6,OC(=O)c1cc(ccc1O)Cc1ccc(c(c1)C(=O)O)O,"InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)",-4.3966,-4.3962,-4.276,-4.2575,-2.3068,-1.88,1.5391,1.9546,2.3438,2.3694,2.3964,D03290_D04AA10,00040000000000c002000200800000000000004000001200000000a0000000001400400000000000200a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a0800000100000008000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014484cca3561e,0,12,20,2,0,4,33,34,-2.931,5.816,0,0.0,1.09157e-11,+,0.7477,+,0.7477,https://www.genome.jp/dbget-bin/www_bget?dr:D03290
2235,D03290, Promethazine methylenedisalicylate (JAN, Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,c1(c(ccc(c1)Cc1ccc(c(c1)C(=O)O)O)O)C(=O)O,288.252,2.085,73.8596,115.06,16,4,6,JWQFKVGACKJIAV-UHFFFAOYSA-N,C15H12O6,OC(=O)c1cc(ccc1O)Cc1ccc(c(c1)C(=O)O)O,"InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)",-4.3949,-4.3888,-4.2926,-4.2589,-2.3067,-1.8748,1.5329,1.9552,2.3426,2.3695,2.3923,D03290_R06AD02,00040000000000c002000200800000000000004000001200000000a0000000001400400000000000200a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a0800000100000008000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014484cca3561e,0,12,20,2,0,4,33,34,-2.931,5.816,0,0.0,1.09157e-11,+,0.7477,+,0.7477,https://www.genome.jp/dbget-bin/www_bget?dr:D03290
2236,D08432, Promethazine maleate, Antihistamines for topical use,D04AA10,DERMATOLOGICALS,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0255,-4.619,-4.6068,-4.5089999999999995,-2.0358,-1.9614,1.4786,1.5878,1.5885,1.6026,1.706,D08432_D04AA10,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.502,-4.121,1,1.0,0.008004304,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D08432
2237,D08432, Promethazine maleate, Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0224,-4.6168,-4.6086,-4.5058,-2.0351,-1.9621,1.4794,1.588,1.5891,1.5991,1.7068,D08432_R06AD02,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.502,-4.121,1,1.0,0.008004304,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D08432
2238,D08768, Promethazine hibenzate, Antihistamines for topical use,D04AA10,DERMATOLOGICALS,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0184,-4.617,-4.5617,-4.4939,-2.0382,-1.9141,1.4871,1.5602,1.5615,1.5888,1.6915,D08768_D04AA10,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.502,-4.122,1,1.0,0.007998396999999999,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D08768
2239,D08768, Promethazine hibenzate, Phenothiazine derivatives,R06AD02,RESPIRATORY SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)C[C@H]([NH+](C)C)C,285.427,2.8873,91.3267,32.98,23,1,1,PWWVAXIEGOYWEE-CYBMUJFWSA-O,C17H21N2S+,C[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1/t13-/m1/s1",-6.0165,-4.6029,-4.5959,-4.4992,-2.0361,-1.9577,1.4873,1.568,1.5755,1.5771,1.6977,D08768_R06AD02,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040046b1109a418c0340b159ad17,0,12,31,0,0,3,41,43,-10.502,-4.122,1,1.0,0.007998396999999999,+,0.5741,-,0.5741,https://www.genome.jp/dbget-bin/www_bget?dr:D08768
2240,D07196, Tolpropamine (INN), Antihistamines for topical use,D04AA12,DERMATOLOGICALS,c1cccc(c1)[C@H](c1ccc(cc1)C)CC[NH+](C)C,254.39,2.6615,84.2427,4.44,24,1,0,CINROOONPHQHPO-GOSISDBHSA-O,C18H24N+,C[NH+](CCC(c1ccccc1)c1ccc(cc1)C)C,"InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.031000000000001,-4.6165,-4.6141,-4.5302,-0.9981,-0.4051,1.4171,1.4298,1.4738,1.5869,1.5988,D07196_D04AA12,00060000000000000a000600800000000000005000000000000000a0000000001000400000000000000000180001000001000000000000000000000200000000000004000000000000000000000000000088004000003008c0080800000900000000000100000000000000000000000000060100000110000002000000000000,0100000000f001,070040020400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000002321088402c0200105da517,0,12,32,0,0,5,43,44,-11.869000000000002,-4.032,1,0.0,0.020559954,+,0.6863,-,0.6863,https://www.genome.jp/dbget-bin/www_bget?dr:D07196
2241,D07853, Dimetindene (INN), Antihistamines for topical use,D04AA13,DERMATOLOGICALS,c1ccc2c(c1)C(=C(C2)CC[NH+](C)C)[C@H](c1ccccn1)C,293.426,2.7296,94.6627,17.33,26,1,1,MVMQESMQSYOVGV-HNNXBMFYSA-O,C20H25N2+,C[NH+](CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/p+1/t15-/m0/s1",-6.0164,-4.6318,-4.6086,-4.584,-1.209,-1.2073,1.4673,1.4755,1.5691,1.5862,1.5884,D07853_D04AA13,0007002000000004020c860004004000000000504020400009000080000800011000500000c0c020008010180001104001080000080020004000100600040000048004022200820040022000004800000080814104803008c009b80000081000030400008100088002008000200004020006011003431004000000090a000802,0100000000f001,170040020400000000000000000000000000000000009000000000000000000000004640c02204,0000000000000300010a32949e492c0301b17dad17,0,12,36,1,0,5,47,49,-11.433,-4.023,1,1.0,0.000603803,+,0.6939,-,0.6939,https://www.genome.jp/dbget-bin/www_bget?dr:D07853
2242,D07853, Dimetindene (INN), Substituted alkylamines,R06AB03,RESPIRATORY SYSTEM,c1ccc2c(c1)C(=C(C2)CC[NH+](C)C)[C@H](c1ccccn1)C,293.426,2.7296,94.6627,17.33,26,1,1,MVMQESMQSYOVGV-HNNXBMFYSA-O,C20H25N2+,C[NH+](CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/p+1/t15-/m0/s1",-6.0394,-4.6165,-4.5972,-4.5507,-1.1053,-1.0887,1.4596,1.4752,1.5739,1.5806,1.5862,D07853_R06AB03,0007002000000004020c860004004000000000504020400009000080000800011000500000c0c020008010180001104001080000080020004000100600040000048004022200820040022000004800000080814104803008c009b80000081000030400008100088002008000200004020006011003431004000000090a000802,0100000000f001,170040020400000000000000000000000000000000009000000000000000000000004640c02204,0000000000000300010a32949e492c0301b17dad17,0,12,36,1,0,5,47,49,-11.433,-4.023,1,1.0,0.000603803,+,0.6939,-,0.6939,https://www.genome.jp/dbget-bin/www_bget?dr:D07853
2243,D01343, Dimethindene maleate (USAN), Antihistamines for topical use,D04AA13,DERMATOLOGICALS,c1ccc2c(c1)C(=C(C2)CC[NH+](C)C)[C@H](c1ccccn1)C,293.426,2.7296,94.6627,17.33,26,1,1,MVMQESMQSYOVGV-HNNXBMFYSA-O,C20H25N2+,C[NH+](CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/p+1/t15-/m0/s1",-5.9863,-4.6195,-4.6121,-4.5915,-1.568,-1.219,1.4739,1.4742,1.5668,1.5725,1.5877,D01343_D04AA13,0007002000000004020c860004004000000000504020400009000080000800011000500000c0c020008010180001104001080000080020004000100600040000048004022200820040022000004800000080814104803008c009b80000081000030400008100088002008000200004020006011003431004000000090a000802,0100000000f001,170040020400000000000000000000000000000000009000000000000000000000004640c02204,0000000000000300010a32949e492c0301b17dad17,0,12,36,1,0,5,47,49,-11.440999999999999,-4.021,1,1.0,0.000947661,+,0.6939,-,0.6939,https://www.genome.jp/dbget-bin/www_bget?dr:D01343
2244,D01343, Dimethindene maleate (USAN), Substituted alkylamines,R06AB03,RESPIRATORY SYSTEM,c1ccc2c(c1)C(=C(C2)CC[NH+](C)C)[C@H](c1ccccn1)C,293.426,2.7296,94.6627,17.33,26,1,1,MVMQESMQSYOVGV-HNNXBMFYSA-O,C20H25N2+,C[NH+](CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/p+1/t15-/m0/s1",-6.031000000000001,-4.6217,-4.62,-4.5725,-1.4214,-1.2036,1.4564,1.4964,1.5735,1.575,1.5977,D01343_R06AB03,0007002000000004020c860004004000000000504020400009000080000800011000500000c0c020008010180001104001080000080020004000100600040000048004022200820040022000004800000080814104803008c009b80000081000030400008100088002008000200004020006011003431004000000090a000802,0100000000f001,170040020400000000000000000000000000000000009000000000000000000000004640c02204,0000000000000300010a32949e492c0301b17dad17,0,12,36,1,0,5,47,49,-11.440999999999999,-4.021,1,1.0,0.000947661,+,0.6939,-,0.6939,https://www.genome.jp/dbget-bin/www_bget?dr:D01343
2245,D03535, Clemastine (USAN), Antihistamines for topical use,D04AA14,DERMATOLOGICALS,[C@H]1([N@@H+](C)CCC1)CCO[C@@](c1ccc(cc1)Cl)(c1ccccc1)C,344.898,5.2565,105.98899999999999,13.67,28,1,1,YNNUSGIPVFPVBX-NHCUHLMSSA-O,C21H27ClNO+,Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCC[NH+]1C)C,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/p+1/t20-,21-/m1/s1",-5.9676,-4.65,-4.5955,-4.5702,-3.1284,-2.1142,1.452,1.4802,1.5633,1.5676,1.5935,D03535_D04AA14,002602020000004002000600800200000000005000000c00002000a00124000010005000800000013001001820000000010200000020c000000000020000a000081008020000000000008900a60000020088014000002008c0080800000100000000000100000000104000001000080000070100000110000000000100800000,0100000030f001,038040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010002047696c9dc2ca32903fdbd1f,0,12,41,0,0,6,51,53,-11.573,-3.9539999999999997,3,1.0,0.166873544,+,0.8876,-,0.8876,https://www.genome.jp/dbget-bin/www_bget?dr:D03535
2246,D03535, Clemastine (USAN), Aminoalkyl ethers,R06AA04,RESPIRATORY SYSTEM,[C@H]1([N@@H+](C)CCC1)CCO[C@@](c1ccc(cc1)Cl)(c1ccccc1)C,344.898,5.2565,105.98899999999999,13.67,28,1,1,YNNUSGIPVFPVBX-NHCUHLMSSA-O,C21H27ClNO+,Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCC[NH+]1C)C,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/p+1/t20-,21-/m1/s1",-5.9682,-4.6539,-4.5969999999999995,-4.5677,-3.1314,-2.1171,1.4481,1.4812,1.5671,1.5705,1.5939,D03535_R06AA04,002602020000004002000600800200000000005000000c00002000a00124000010005000800000013001001820000000010200000020c000000000020000a000081008020000000000008900a60000020088014000002008c0080800000100000000000100000000104000001000080000070100000110000000000100800000,0100000030f001,038040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010002047696c9dc2ca32903fdbd1f,0,12,41,0,0,6,51,53,-11.573,-3.9539999999999997,3,1.0,0.166873544,+,0.8876,-,0.8876,https://www.genome.jp/dbget-bin/www_bget?dr:D03535
2247,D00666, Clemastine fumarate (JP17/USP), Antihistamines for topical use,D04AA14,DERMATOLOGICALS,[C@H]1([N@@H+](C)CCC1)CCO[C@@](c1ccc(cc1)Cl)(c1ccccc1)C,344.898,5.2565,105.98899999999999,13.67,28,1,1,YNNUSGIPVFPVBX-NHCUHLMSSA-O,C21H27ClNO+,Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCC[NH+]1C)C,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/p+1/t20-,21-/m1/s1",-5.9729,-4.6387,-4.5848,-4.5816,-3.095,-1.9165,1.4509999999999998,1.4875,1.5553,1.5682,1.5849,D00666_D04AA14,002602020000004002000600800200000000005000000c00002000a00124000010005000800000013001001820000000010200000020c000000000020000a000081008020000000000008900a60000020088014000002008c0080800000100000000000100000000104000001000080000070100000110000000000100800000,0100000030f001,038040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010002047696c9dc2ca32903fdbd1f,0,12,41,0,0,6,51,53,-11.575999999999999,-3.9539999999999997,3,0.0,0.16695115,+,0.8876,-,0.8876,https://www.genome.jp/dbget-bin/www_bget?dr:D00666
2248,D00666, Clemastine fumarate (JP17/USP), Aminoalkyl ethers,R06AA04,RESPIRATORY SYSTEM,[C@H]1([N@@H+](C)CCC1)CCO[C@@](c1ccc(cc1)Cl)(c1ccccc1)C,344.898,5.2565,105.98899999999999,13.67,28,1,1,YNNUSGIPVFPVBX-NHCUHLMSSA-O,C21H27ClNO+,Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCC[NH+]1C)C,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/p+1/t20-,21-/m1/s1",-5.9894,-4.6583,-4.6024,-4.5646,-3.0966,-1.9246,1.4508,1.4812,1.5675,1.5745,1.6127,D00666_R06AA04,002602020000004002000600800200000000005000000c00002000a00124000010005000800000013001001820000000010200000020c000000000020000a000081008020000000000008900a60000020088014000002008c0080800000100000000000100000000104000001000080000070100000110000000000100800000,0100000030f001,038040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010002047696c9dc2ca32903fdbd1f,0,12,41,0,0,6,51,53,-11.575999999999999,-3.9539999999999997,3,0.0,0.16695115,+,0.8876,-,0.8876,https://www.genome.jp/dbget-bin/www_bget?dr:D00666
2249,D07197, Bamipine (INN), Antihistamines for topical use,D04AA15,DERMATOLOGICALS,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.04,-4.6133,-4.598,-4.5894,-4.1481,-3.0047,1.4699,1.4717,1.577,1.5796,1.5813,D07197_D04AA15,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.8,-3.95,0,0.0,0.012653483,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07197
2250,D07197, Bamipine (INN), Other antihistamines for systemic use,R06AX01,RESPIRATORY SYSTEM,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.0465,-4.6158,-4.5911,-4.5746,-4.1408,-2.9527,1.4677,1.4707,1.5774,1.5802,1.5913,D07197_R06AX01,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.8,-3.95,0,0.0,0.012653483,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07197
2251,D07492, Bamipine dihydrochloride, Antihistamines for topical use,D04AA15,DERMATOLOGICALS,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.0394,-4.6081,-4.601,-4.5963,-4.1426,-2.9758,1.4656,1.4709,1.5742,1.5779,1.5843,D07492_D04AA15,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.847999999999999,-3.9530000000000003,0,0.0,0.012643109,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07492
2252,D07492, Bamipine dihydrochloride, Other antihistamines for systemic use,R06AX01,RESPIRATORY SYSTEM,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.0393,-4.6142,-4.6111,-4.5887,-4.1487,-2.9560000000000004,1.4722,1.4743,1.5786,1.5809,1.5842,D07492_R06AX01,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.847999999999999,-3.9530000000000003,0,0.0,0.012643109,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07492
2253,D07493, Bamipine lactate, Antihistamines for topical use,D04AA15,DERMATOLOGICALS,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.0473,-4.6744,-4.6256,-4.4817,-4.0176,-2.9181,1.4507,1.4524,1.5722,1.5778,1.6196,D07493_D04AA15,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.817,-3.952,0,4.0,0.01265044,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07493
2254,D07493, Bamipine lactate, Other antihistamines for systemic use,R06AX01,RESPIRATORY SYSTEM,c1ccccc1CN(c1ccccc1)[C@@H]1CC[N@@H+](CC1)C,281.415,3.9395,94.8307,7.68,26,1,1,VZSXTYKGYWISGQ-UHFFFAOYSA-O,C19H25N2+,C[NH+]1CCC(CC1)N(c1ccccc1)Cc1ccccc1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/p+1",-6.0447,-4.6042,-4.5974,-4.5965,-4.1494,-2.9789,1.47,1.4791,1.5812,1.5814,1.5830000000000002,D07493_R06AX01,000200000000042010000600008100008000009000000000000000c00000000010005000000001200080001800001060010200000000000800000002000004000000000040040200000000000208000000c0015004002000e0090000000000000010000200000000000000000000002000060100000110000004000102400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100008432148a402c8351234dad17,0,12,36,0,0,4,46,48,-11.817,-3.952,0,4.0,0.01265044,+,0.858,-,0.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07493
2255,D08355, Pheniramine (INN), Antihistamines for topical use,D04AA16,DERMATOLOGICALS,c1cccc(n1)[C@@H](c1ccccc1)CC[NH+](C)C,241.351,1.7481,77.0717,17.33,22,1,1,IJHNSHDBIRRJRN-OAHLLOKOSA-O,C16H21N2+,C[NH+](CCC(c1ccccn1)c1ccccc1)C,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1",-6.0456,-4.6085,-4.6023,-4.5436,-1.5104,-1.0927,1.4523,1.47,1.5623,1.5819,1.5849,D08355_D04AA16,00060020000000000a008600840000000001005040000000000000a0000000001000400000008020008000180001006001000000080020000100000600000000840004020000020000000000000800000080804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a000000,0100000000f001,060040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100010232108a402c0300215dad17,0,12,28,0,0,5,39,40,-12.26,-4.006,1,1.0,0.004429343,+,0.7313,-,0.7313,https://www.genome.jp/dbget-bin/www_bget?dr:D08355
2256,D08355, Pheniramine (INN), Substituted alkylamines,R06AB05,RESPIRATORY SYSTEM,c1cccc(n1)[C@@H](c1ccccc1)CC[NH+](C)C,241.351,1.7481,77.0717,17.33,22,1,1,IJHNSHDBIRRJRN-OAHLLOKOSA-O,C16H21N2+,C[NH+](CCC(c1ccccn1)c1ccccc1)C,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1",-6.0425,-4.6106,-4.5994,-4.5261,-1.4377,-1.0955,1.4539,1.4729,1.5607,1.5809,1.5841,D08355_R06AB05,00060020000000000a008600840000000001005040000000000000a0000000001000400000008020008000180001006001000000080020000100000600000000840004020000020000000000000800000080804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a000000,0100000000f001,060040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100010232108a402c0300215dad17,0,12,28,0,0,5,39,40,-12.26,-4.006,1,1.0,0.004429343,+,0.7313,-,0.7313,https://www.genome.jp/dbget-bin/www_bget?dr:D08355
2257,D01174, Pheniramine maleate (JAN/USP), Antihistamines for topical use,D04AA16,DERMATOLOGICALS,c1cccc(n1)[C@@H](c1ccccc1)CC[NH+](C)C,241.351,1.7481,77.0717,17.33,22,1,1,IJHNSHDBIRRJRN-OAHLLOKOSA-O,C16H21N2+,C[NH+](CCC(c1ccccn1)c1ccccc1)C,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1",-6.046,-4.6098,-4.6087,-4.5567,-1.5219999999999998,-1.1049,1.4624,1.4718,1.5659,1.5808,1.5819999999999999,D01174_D04AA16,00060020000000000a008600840000000001005040000000000000a0000000001000400000008020008000180001006001000000080020000100000600000000840004020000020000000000000800000080804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a000000,0100000000f001,060040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100010232108a402c0300215dad17,0,12,28,0,0,5,39,40,-12.261,-4.006,1,0.0,0.004430166,+,0.7313,-,0.7313,https://www.genome.jp/dbget-bin/www_bget?dr:D01174
2258,D01174, Pheniramine maleate (JAN/USP), Substituted alkylamines,R06AB05,RESPIRATORY SYSTEM,c1cccc(n1)[C@@H](c1ccccc1)CC[NH+](C)C,241.351,1.7481,77.0717,17.33,22,1,1,IJHNSHDBIRRJRN-OAHLLOKOSA-O,C16H21N2+,C[NH+](CCC(c1ccccn1)c1ccccc1)C,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1",-6.042000000000001,-4.6264,-4.6008,-4.5327,-1.5523,-1.0964,1.4569999999999999,1.4724,1.5675,1.5802,1.589,D01174_R06AB05,00060020000000000a008600840000000001005040000000000000a0000000001000400000008020008000180001006001000000080020000100000600000000840004020000020000000000000800000080804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a000000,0100000000f001,060040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100010232108a402c0300215dad17,0,12,28,0,0,5,39,40,-12.261,-4.006,1,0.0,0.004430166,+,0.7313,-,0.7313,https://www.genome.jp/dbget-bin/www_bget?dr:D01174
2259,D08091, Isothipendyl (INN), Antihistamines for topical use,D04AA22,DERMATOLOGICALS,c1ccc2c(c1)N(c1c(S2)cccn1)C[C@H]([NH+](C)C)C,286.415,2.2823,89.1217,45.87,23,1,2,OQJBSDFFQWMKBQ-GFCCVEGCSA-O,C16H20N3S+,C[NH+](C(CN1c2ccccc2Sc2c1nccc2)C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3/p+1/t12-/m1/s1",-6.0206,-4.6174,-4.5995,-4.4936,-2.6968,-2.3592,1.5877,1.5983,1.7082,2.1138,2.2763,D08091_D04AA22,2003010040b000400008060118820008800101009000200280030000004000001b002800000880200090003e000010c00108a01202002008004000700010040406001c004000022000200000000800000080006105503000400a402000210000000010001000000000200000000004200006100020401a000002800002500000,0100000000f121,010050020400000000000000000000010000000000009000000000000000000000004600c02204,00000000280001040156b1109a418c0340b159ad17,0,12,30,0,0,3,40,42,-10.58,-4.023,1,1.0,0.004503138,+,0.6768,-,0.6768,https://www.genome.jp/dbget-bin/www_bget?dr:D08091
2260,D08091, Isothipendyl (INN), Phenothiazine derivatives,R06AD09,RESPIRATORY SYSTEM,c1ccc2c(c1)N(c1c(S2)cccn1)C[C@H]([NH+](C)C)C,286.415,2.2823,89.1217,45.87,23,1,2,OQJBSDFFQWMKBQ-GFCCVEGCSA-O,C16H20N3S+,C[NH+](C(CN1c2ccccc2Sc2c1nccc2)C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3/p+1/t12-/m1/s1",-6.0249,-4.6147,-4.5959,-4.4963,-2.6976,-2.3562,1.5859,1.5969,1.7043,2.1175,2.3703,D08091_R06AD09,2003010040b000400008060118820008800101009000200280030000004000001b002800000880200090003e000010c00108a01202002008004000700010040406001c004000022000200000000800000080006105503000400a402000210000000010001000000000200000000004200006100020401a000002800002500000,0100000000f121,010050020400000000000000000000010000000000009000000000000000000000004600c02204,00000000280001040156b1109a418c0340b159ad17,0,12,30,0,0,3,40,42,-10.58,-4.023,1,1.0,0.004503138,+,0.6768,-,0.6768,https://www.genome.jp/dbget-bin/www_bget?dr:D08091
2261,D01143, Isothipendyl hydrochloride (JAN), Antihistamines for topical use,D04AA22,DERMATOLOGICALS,c1ccc2c(c1)N(c1c(S2)cccn1)C[C@H]([NH+](C)C)C,286.415,2.2823,89.1217,45.87,23,1,2,OQJBSDFFQWMKBQ-GFCCVEGCSA-O,C16H20N3S+,C[NH+](C(CN1c2ccccc2Sc2c1nccc2)C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3/p+1/t12-/m1/s1",-6.0187,-4.6417,-4.5928,-4.506,-2.6927,-2.3602,1.594,1.5972,1.6924,2.1237,2.2363,D01143_D04AA22,2003010040b000400008060118820008800101009000200280030000004000001b002800000880200090003e000010c00108a01202002008004000700010040406001c004000022000200000000800000080006105503000400a402000210000000010001000000000200000000004200006100020401a000002800002500000,0100000000f121,010050020400000000000000000000010000000000009000000000000000000000004600c02204,00000000280001040156b1109a418c0340b159ad17,0,12,30,0,0,3,40,42,-10.581,-4.023,1,,0.004504741,+,0.6768,-,0.6768,https://www.genome.jp/dbget-bin/www_bget?dr:D01143
2262,D01143, Isothipendyl hydrochloride (JAN), Phenothiazine derivatives,R06AD09,RESPIRATORY SYSTEM,c1ccc2c(c1)N(c1c(S2)cccn1)C[C@H]([NH+](C)C)C,286.415,2.2823,89.1217,45.87,23,1,2,OQJBSDFFQWMKBQ-GFCCVEGCSA-O,C16H20N3S+,C[NH+](C(CN1c2ccccc2Sc2c1nccc2)C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3/p+1/t12-/m1/s1",-6.0279,-4.617,-4.5795,-4.4823,-2.695,-2.3849,1.5856,1.5909,1.6971,2.127,2.2679,D01143_R06AD09,2003010040b000400008060118820008800101009000200280030000004000001b002800000880200090003e000010c00108a01202002008004000700010040406001c004000022000200000000800000080006105503000400a402000210000000010001000000000200000000004200006100020401a000002800002500000,0100000000f121,010050020400000000000000000000010000000000009000000000000000000000004600c02204,00000000280001040156b1109a418c0340b159ad17,0,12,30,0,0,3,40,42,-10.581,-4.023,1,,0.004504741,+,0.6768,-,0.6768,https://www.genome.jp/dbget-bin/www_bget?dr:D01143
2263,D00300, Diphenhydramine (JP17/INN), Antihistamines for topical use,D04AA32,DERMATOLOGICALS,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.017,-4.6281,-4.6160000000000005,-4.5613,-3.1268,-1.8413,1.4531,1.4714,1.5692,1.5889,1.5896,D00300_D04AA32,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.253,-3.9139999999999997,0,1.0,0.007193018000000001,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D00300
2264,D00300, Diphenhydramine (JP17/INN), Aminoalkyl ethers,R06AA02,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0499,-4.6171,-4.6026,-4.5355,-3.1806,-1.8245,1.4559,1.4758,1.5656,1.5823,1.5914,D00300_R06AA02,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.253,-3.9139999999999997,0,1.0,0.007193018000000001,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D00300
2265,D00669, Diphenhydramine hydrochloride (JP17/USP, Antihistamines for topical use,D04AA32,DERMATOLOGICALS,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0154,-4.6287,-4.619,-4.5785,-3.1487,-1.8328,1.4636,1.47,1.5712,1.5887,1.5935,D00669_D04AA32,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.255,-3.9130000000000003,0,0.0,0.007194245,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D00669
2266,D00669, Diphenhydramine hydrochloride (JP17/USP, Aminoalkyl ethers,R06AA02,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0167,-4.6186,-4.617,-4.5631,-3.1429,-1.8317,1.4616,1.4697,1.5693,1.5899,1.5908,D00669_R06AA02,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.255,-3.9130000000000003,0,0.0,0.007194245,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D00669
2267,D02419, Diphenhydramine salicylate (JAN), Antihistamines for topical use,D04AA32,DERMATOLOGICALS,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0195,-4.6267,-4.6141,-4.5761,-3.1368,-1.8157,1.4643,1.4689,1.5709,1.5853,1.5927,D02419_D04AA32,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.252,-3.912,0,0.0,0.00719496,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D02419
2268,D02419, Diphenhydramine salicylate (JAN), Aminoalkyl ethers,R06AA02,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0118,-4.6273,-4.6195,-4.5734,-3.1489,-1.8454,1.4591,1.4705,1.5742,1.5828,1.5934,D02419_R06AA02,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.252,-3.912,0,0.0,0.00719496,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D02419
2269,D03360, Diphenhydramine laurylsulfate (JAN), Antihistamines for topical use,D04AA32,DERMATOLOGICALS,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0241,-4.6253,-4.6178,-4.5501,-3.1409,-1.844,1.4481,1.472,1.5738,1.5904,1.5919,D03360_D04AA32,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.251,-3.9130000000000003,0,0.0,0.007194346,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D03360
2270,D03360, Diphenhydramine laurylsulfate (JAN), Aminoalkyl ethers,R06AA02,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0163,-4.6274,-4.6123,-4.5662,-3.1452,-1.8225,1.4618,1.4734,1.571,1.5862,1.5876,D03360_R06AA02,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.251,-3.9130000000000003,0,0.0,0.007194346,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D03360
2271,D03854, Diphenhydramine citrate (USP), Antihistamines for topical use,D04AA32,DERMATOLOGICALS,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0186,-4.6234,-4.6172,-4.5585,-3.1583,-1.8379,1.459,1.4673,1.5731,1.587,1.5901,D03854_D04AA32,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.255,-3.9130000000000003,0,1.0,0.00719404,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D03854
2272,D03854, Diphenhydramine citrate (USP), Aminoalkyl ethers,R06AA02,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)OCC[NH+](C)C,256.363,1.9371,80.3617,13.67,23,1,1,ZZVUWRFHKOJYTH-UHFFFAOYSA-O,C17H22NO+,C[NH+](CCOC(c1ccccc1)c1ccccc1)C,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/p+1",-6.0116,-4.6288,-4.6121,-4.5592,-3.1673,-1.8398,1.4511,1.4726,1.5721,1.5853,1.5869,D03854_R06AA02,000600000000004002000600800200000000004000000800002000a000040000100040000000001220000008000000000000000000000000000000020000000008000802081000000000010000000000008000400010200840080800000100000000000100000000004000009000000000060180000100000000000000000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000000200c02200,00000000000001000002325088502c220802ddb51f,0,12,30,0,0,6,41,42,-12.255,-3.9130000000000003,0,1.0,0.00719404,+,0.3314,-,0.3314,https://www.genome.jp/dbget-bin/www_bget?dr:D03854
2273,D07198, Chlorphenoxamine (INN), Antihistamines for topical use,D04AA34,DERMATOLOGICALS,c1c(ccc(c1)[C@@](c1ccccc1)(OCC[NH+](C)C)C)Cl,304.834,2.7646,90.0617,13.67,24,1,1,KKHPNPMTPORSQE-GOSISDBHSA-O,C18H23ClNO+,C[NH+](CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.0176,-4.6181,-4.6176,-4.5706,-3.1205,-1.8392,1.4645,1.4711,1.5702,1.5871,1.5914,D07198_D04AA34,000602000000004002000600800200000000004000000c00002000a0002400001000400000000012200100080000000000000000000000000000000200000000080008020810000000000100a4000002008800400010200840080800000100000000000100000000004000009000000000060180000100000000000000800000,0100000030f001,018040020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000010002027250c8dc2c222812ddb51f,0,12,33,0,0,6,44,45,-11.947000000000001,-4.109,1,-1.0,0.028674655,+,0.3216,-,0.3216,https://www.genome.jp/dbget-bin/www_bget?dr:D07198
2274,D07198, Chlorphenoxamine (INN), Aminoalkyl ethers,R06AA06,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@](c1ccccc1)(OCC[NH+](C)C)C)Cl,304.834,2.7646,90.0617,13.67,24,1,1,KKHPNPMTPORSQE-GOSISDBHSA-O,C18H23ClNO+,C[NH+](CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.013,-4.6255,-4.6143,-4.5563,-3.1139,-1.8209,1.4504,1.4713,1.5752,1.5806,1.5882,D07198_R06AA06,000602000000004002000600800200000000004000000c00002000a0002400001000400000000012200100080000000000000000000000000000000200000000080008020810000000000100a4000002008800400010200840080800000100000000000100000000004000009000000000060180000100000000000000800000,0100000030f001,018040020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000010002027250c8dc2c222812ddb51f,0,12,33,0,0,6,44,45,-11.947000000000001,-4.109,1,-1.0,0.028674655,+,0.3216,-,0.3216,https://www.genome.jp/dbget-bin/www_bget?dr:D07198
2275,D07684, Chlorphenoxamine hydrochloride, Antihistamines for topical use,D04AA34,DERMATOLOGICALS,c1c(ccc(c1)[C@@](c1ccccc1)(OCC[NH+](C)C)C)Cl,304.834,2.7646,90.0617,13.67,24,1,1,KKHPNPMTPORSQE-GOSISDBHSA-O,C18H23ClNO+,C[NH+](CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.0259,-4.6284,-4.5957,-4.5521,-3.1181,-1.7915,1.4464,1.4709,1.574,1.5849,1.5902,D07684_D04AA34,000602000000004002000600800200000000004000000c00002000a0002400001000400000000012200100080000000000000000000000000000000200000000080008020810000000000100a4000002008800400010200840080800000100000000000100000000004000009000000000060180000100000000000000800000,0100000030f001,018040020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000010002027250c8dc2c222812ddb51f,0,12,33,0,0,6,44,45,-11.944,-4.109,1,2.0,0.028657507000000002,+,0.3216,-,0.3216,https://www.genome.jp/dbget-bin/www_bget?dr:D07684
2276,D07684, Chlorphenoxamine hydrochloride, Aminoalkyl ethers,R06AA06,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@](c1ccccc1)(OCC[NH+](C)C)C)Cl,304.834,2.7646,90.0617,13.67,24,1,1,KKHPNPMTPORSQE-GOSISDBHSA-O,C18H23ClNO+,C[NH+](CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.0425,-4.6314,-4.6235,-4.5563,-3.1421,-1.7916,1.4353,1.464,1.5945,1.6001,1.6087,D07684_R06AA06,000602000000004002000600800200000000004000000c00002000a0002400001000400000000012200100080000000000000000000000000000000200000000080008020810000000000100a4000002008800400010200840080800000100000000000100000000004000009000000000060180000100000000000000800000,0100000030f001,018040020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000010002027250c8dc2c222812ddb51f,0,12,33,0,0,6,44,45,-11.944,-4.109,1,2.0,0.028657507000000002,+,0.3216,-,0.3216,https://www.genome.jp/dbget-bin/www_bget?dr:D07684
2277,D08319, Oxybuprocaine (INN), Anesthetics for topical use,D04AB03,DERMATOLOGICALS,c1(c(ccc(c1)C(=O)OCC[NH+](CC)CC)N)OCCCC,309.42400000000004,2.1104,91.2276,65.99,33,2,4,CMHHMUWAYWTMGS-UHFFFAOYSA-O,C17H29N2O3+,CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3/p+1",-6.0439,-5.0932,-5.0823,-4.5717,-4.5524,-4.546,1.5533,1.5793,1.5952,1.5971,1.6907,D08319_D04AB03,00020000000000c00000060000020000010000000000080000200080000400001400400000000033200a02080000004001020200000048000000000200000610086008224d5000118000010002808000008000400410240048080000000101000000000000000002004000029010008000070980080300200808004802000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,44,1,0,11,51,51,-10.467,-4.09,0,1.0,0.006705626,-,0.4791,-,0.4791,https://www.genome.jp/dbget-bin/www_bget?dr:D08319
2278,D08319, Oxybuprocaine (INN), Local anesthetics,S01HA02,SENSORY ORGANS,c1(c(ccc(c1)C(=O)OCC[NH+](CC)CC)N)OCCCC,309.42400000000004,2.1104,91.2276,65.99,33,2,4,CMHHMUWAYWTMGS-UHFFFAOYSA-O,C17H29N2O3+,CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3/p+1",-6.0309,-5.1072,-5.092,-4.5484,-4.5443,-4.5424,1.5502,1.57,1.5804,1.5845,1.6982,D08319_S01HA02,00020000000000c00000060000020000010000000000080000200080000400001400400000000033200a02080000004001020200000048000000000200000610086008224d5000118000010002808000008000400410240048080000000101000000000000000002004000029010008000070980080300200808004802000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,44,1,0,11,51,51,-10.467,-4.09,0,1.0,0.006705626,-,0.4791,-,0.4791,https://www.genome.jp/dbget-bin/www_bget?dr:D08319
2279,D01768, Benoxinate hydrochloride (USP), Anesthetics for topical use,D04AB03,DERMATOLOGICALS,c1(c(ccc(c1)C(=O)OCC[NH+](CC)CC)N)OCCCC,309.42400000000004,2.1104,91.2276,65.99,33,2,4,CMHHMUWAYWTMGS-UHFFFAOYSA-O,C17H29N2O3+,CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3/p+1",-6.0395,-5.1182,-5.1128,-4.5760000000000005,-4.5512,-4.5442,1.5537,1.5698,1.5784,1.5844,1.6133,D01768_D04AB03,00020000000000c00000060000020000010000000000080000200080000400001400400000000033200a02080000004001020200000048000000000200000610086008224d5000118000010002808000008000400410240048080000000101000000000000000002004000029010008000070980080300200808004802000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,44,1,0,11,51,51,-10.466,-4.092,0,,0.006706293,-,0.4791,-,0.4791,https://www.genome.jp/dbget-bin/www_bget?dr:D01768
2280,D01768, Benoxinate hydrochloride (USP), Local anesthetics,S01HA02,SENSORY ORGANS,c1(c(ccc(c1)C(=O)OCC[NH+](CC)CC)N)OCCCC,309.42400000000004,2.1104,91.2276,65.99,33,2,4,CMHHMUWAYWTMGS-UHFFFAOYSA-O,C17H29N2O3+,CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3/p+1",-6.0404,-5.1059,-5.0997,-4.5635,-4.5518,-4.4953,1.5528,1.5857,1.5893,1.6118,1.6763,D01768_S01HA02,00020000000000c00000060000020000010000000000080000200080000400001400400000000033200a02080000004001020200000048000000000200000610086008224d5000118000010002808000008000400410240048080000000101000000000000000002004000029010008000070980080300200808004802000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,44,1,0,11,51,51,-10.466,-4.092,0,,0.006706293,-,0.4791,-,0.4791,https://www.genome.jp/dbget-bin/www_bget?dr:D01768
2281,D08462, Quinisocaine (INN), Anesthetics for topical use,D04AB05,DERMATOLOGICALS,c1(cc2c(c(n1)OCC[NH+](C)C)cccc2)CCCC,273.393,2.1007,86.1967,26.56,27,1,2,XNMYNYSCEJBRPZ-UHFFFAOYSA-O,C17H25N2O+,CCCCc1cc2ccccc2c(n1)OCC[NH+](C)C,"InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3/p+1",-6.0238,-4.6234,-4.6124,-4.5275,-2.5895,-1.5248,1.4723,1.5759999999999998,1.5794,1.5814,1.7151,D08462_D04AB05,0006002400000410030086000402000080000000400000000000008000000000180040800000e0320880040840010240010202000800200000000006000000100c001c02411102230020600082088000008080400480340840080800000a0000000000000000000700010000a0100480020601100a412020180000010a200004,0100000050f001,030042020400000000000000000004000000000000009000000000000000000000004600c02200,0000000000000100010232589a713f6308735dbd1f,0,11,35,0,0,7,45,46,-11.029000000000002,-4.399,0,0.0,0.000168617,+,0.4023,-,0.4023,https://www.genome.jp/dbget-bin/www_bget?dr:D08462
2282,D06661, Dimethisoquin hydrochloride (USAN), Anesthetics for topical use,D04AB05,DERMATOLOGICALS,c1(cc2c(c(n1)OCC[NH+](C)C)cccc2)CCCC,273.393,2.1007,86.1967,26.56,27,1,2,XNMYNYSCEJBRPZ-UHFFFAOYSA-O,C17H25N2O+,CCCCc1cc2ccccc2c(n1)OCC[NH+](C)C,"InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3/p+1",-6.0442,-4.6225,-4.6172,-4.5336,-2.5929,-1.5001,1.4542,1.589,1.601,1.6131,1.6571,D06661_D04AB05,0006002400000410030086000402000080000000400000000000008000000000180040800000e0320880040840010240010202000800200000000006000000100c001c02411102230020600082088000008080400480340840080800000a0000000000000000000700010000a0100480020601100a412020180000010a200004,0100000050f001,030042020400000000000000000004000000000000009000000000000000000000004600c02200,0000000000000100010232589a713f6308735dbd1f,0,11,35,0,0,7,45,46,-11.033,-4.397,0,1.0,0.000168665,+,0.4023,-,0.4023,https://www.genome.jp/dbget-bin/www_bget?dr:D06661
2283,D00233, Anthralin (USP), Antracen derivatives,D05AC01,DERMATOLOGICALS,c12c(Cc3c(C1=O)c(ccc3)O)cccc2O,226.227,2.233,63.3735,57.53,13,2,3,NUZWLKWWNNJHPT-UHFFFAOYSA-N,C14H10O3,Oc1cccc2c1C(=O)c1c(C2)cccc1O,"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",-2.6572,-2.2168,-1.0527,-1.0494,-1.0275,-0.8066,0.5624,0.6679999999999999,0.7876,1.0934,1.6464,D00233_D05AC01,000400000000008202000200800000020000004000000000000000a000000000140042002840000040020208000000000002020000001000000000020000000008200000000000000000200002800000008000400000000840080800000000000102000140040012008002000000000000020100000100200808004200000000,1400000402b001,02000000000001000000000000000000c001000000010000000000000000000000004240401000,0000000000000000000000051001014004c483521e,0,12,16,1,0,0,27,29,-9.558,-0.893,0,0.0,0.182790235,+,0.7175,+,0.7175,https://www.genome.jp/dbget-bin/www_bget?dr:D00233
2284,D01034, Trioxsalen (USP), Psoralens for topical use,D05AD01,DERMATOLOGICALS,c12c(oc(=O)cc1C)c(c1c(c2)cc(o1)C)C,228.243,3.4644,67.154,43.35,13,0,3,FMHHVULEAZTJMA-UHFFFAOYSA-N,C14H12O3,Cc1cc2c(o1)c(C)c1c(c2)c(C)cc(=O)o1,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",-4.745,-1.7013,-0.9365,-0.6844,-0.4828,-0.4659,0.3418,0.3635,0.3836,0.475,0.7048,D01034_D05AD01,0000000000000000000002010020000a00009008740000040040008040000008000058000800000008000008004000000000000000000002000000020040000000000000a00000008000200000c4004000804040210000044009004000410202000220400000400020014000110a010000020100000108040000200000000000,00000000003001,01000000000000000000a00000000000000100000000a100000000000000000000004640401000,00000000000000010000048112018144005193c21e,0,15,15,1,0,0,29,31,-9.16,-0.946,0,,0.346379727,+,0.6063,-,0.6063,https://www.genome.jp/dbget-bin/www_bget?dr:D01034
2285,D01034, Trioxsalen (USP), Psoralens for systemic use,D05BA01,DERMATOLOGICALS,c12c(oc(=O)cc1C)c(c1c(c2)cc(o1)C)C,228.243,3.4644,67.154,43.35,13,0,3,FMHHVULEAZTJMA-UHFFFAOYSA-N,C14H12O3,Cc1cc2c(o1)c(C)c1c(c2)c(C)cc(=O)o1,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",-4.745,-1.7013,-0.9365,-0.6844,-0.4828,-0.4659,0.3418,0.3635,0.3836,0.475,0.7048,D01034_D05BA01,0000000000000000000002010020000a00009008740000040040008040000008000058000800000008000008004000000000000000000002000000020040000000000000a00000008000200000c4004000804040210000044009004000410202000220400000400020014000110a010000020100000108040000200000000000,00000000003001,01000000000000000000a00000000000000100000000a100000000000000000000004640401000,00000000000000010000048112018144005193c21e,0,15,15,1,0,0,29,31,-9.16,-0.946,0,,0.346379727,+,0.6063,-,0.6063,https://www.genome.jp/dbget-bin/www_bget?dr:D01034
2286,D00139, Methoxsalen (JP17/USP), Psoralens for topical use,D05AD02,DERMATOLOGICALS,c1(=O)ccc2c(o1)c(c1c(c2)cco1)OC,216.19,2.5478,58.748000000000005,52.58,10,0,4,QXKHYNVANLEOEG-UHFFFAOYSA-N,C12H8O4,COc1c2oc(=O)ccc2cc2c1occ2,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",-4.7261,-1.7054,-1.0288,-0.9359,-0.907,-0.7361,0.4741,0.4744,0.5191,0.621,0.7014,D00139_D05AD02,0000000000000000000002010022000a00001008500000000000000000014008000018000800000008040008000000000200020000000008000000000000000009000000810000018000200002c4004000804000000000004008004000400202000220400000400220004000141a010000020000080008240800200000000008,00000000503001,00000200000000000000a00000000000000100000000a100000000000000000000004640402000,00000000000000018000049112018164004983d21e,0,15,10,1,0,1,24,26,-9.099,-1.004,0,0.0,0.07960880599999999,+,0.5834,-,0.5834,https://www.genome.jp/dbget-bin/www_bget?dr:D00139
2287,D00139, Methoxsalen (JP17/USP), Psoralens for systemic use,D05BA02,DERMATOLOGICALS,c1(=O)ccc2c(o1)c(c1c(c2)cco1)OC,216.19,2.5478,58.748000000000005,52.58,10,0,4,QXKHYNVANLEOEG-UHFFFAOYSA-N,C12H8O4,COc1c2oc(=O)ccc2cc2c1occ2,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",-4.7261,-1.7054,-1.0288,-0.9359,-0.907,-0.7361,0.4741,0.4744,0.5191,0.621,0.7014,D00139_D05BA02,0000000000000000000002010022000a00001008500000000000000000014008000018000800000008040008000000000200020000000008000000000000000009000000810000018000200002c4004000804000000000004008004000400202000220400000400220004000141a010000020000080008240800200000000008,00000000503001,00000200000000000000a00000000000000100000000a100000000000000000000004640402000,00000000000000018000049112018164004983d21e,0,15,10,1,0,1,24,26,-9.099,-1.004,0,0.0,0.07960880599999999,+,0.5834,-,0.5834,https://www.genome.jp/dbget-bin/www_bget?dr:D00139
2288,D02308, Fumaric acid (NF), Other antipsoriatics for topical use,D05AX01,DERMATOLOGICALS,C(=O)(/C=C/C(=O)O)O,116.072,-0.2882,24.4116,74.6,6,2,4,VZCYOOQTPOCHFL-OWOJBTEDSA-N,C4H4O4,OC(=O)C=CC(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",-4.9087,-4.9083,-4.7531,-4.7509,-1.3880000000000001,-1.3878,1.0873,1.9009,2.36,2.3603,2.5684,D02308_D05AX01,00000000000000040000000000000000000000000000400000100000001000000000000000000000000a0000000000000000000010002100000000000000000008000800000000000000000000800000000000400000000000000000000000010004000000000000000000000000000000000000000000000000000000000000,0400000c00a002,100000000000000000008800000000000000000000000000000000000000000000000040436800,00000000000000000000000004000004840c025208,0,0,8,3,0,2,12,11,-0.877,8.957,0,,7.93265e-23,-,0.5670000000000001,-,0.5670000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D02308
2289,D01125, Calcipotriene (USAN), Other antipsoriatics for topical use,D05AX02,DERMATOLOGICALS,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](/C=C/[C@@H](O)C1CC1)C)C,412.605,5.0906,124.77600000000001,60.69,43,3,3,LWQQLNNNIPYSNX-UROSTWAQSA-N,C27H40O3,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(C=CC(C2CC2)O)C)C)C1,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",-3.5277,-2.8705,-1.9161,-1.4177,-1.3381,-0.9595,0.8889,1.0462,1.1974,1.2392,1.5245,D01125_D05AX02,000000040000822400000001000000000000008000404000000400000010200012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800300000200000000400002000008001000000000000204000800000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040432004,00002000020012000208008794892cc00d44b7d01c,0,0,69,4,0,5,70,73,-8.425,-0.10800000000000001,7,1.0,0.9181759359999999,+,2.1733,-,2.1733,https://www.genome.jp/dbget-bin/www_bget?dr:D01125
2290,D08554, Tacalcitol (INN), Other antipsoriatics for topical use,D05AX04,DERMATOLOGICALS,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CC[C@@H](O)C(C)C)C)C,416.63599999999997,5.5606,127.36399999999999,60.69,47,3,3,BJYLYJCXYAMOFT-RSFVBTMBSA-N,C27H44O3,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)C1,"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1",-2.8719,-1.9155,-1.9151,-1.3387,-0.9142,-0.8859999999999999,0.8183,0.8235,0.8238,1.0475,1.2394,D08554_D05AX04,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002001200020a008794892cc00d54b7d41c,0,0,73,3,0,6,74,76,-8.417,-0.085,7,1.0,0.8975278740000001,+,1.6887,-,1.6887,https://www.genome.jp/dbget-bin/www_bget?dr:D08554
2291,D01472, Tacalcitol hydrate (JP17), Other antipsoriatics for topical use,D05AX04,DERMATOLOGICALS,C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](CC[C@@H](O)C(C)C)C)C,416.63599999999997,5.5606,127.36399999999999,60.69,47,3,3,BJYLYJCXYAMOFT-RSFVBTMBSA-N,C27H44O3,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)C1,"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1",-2.8754,-1.9204,-1.9151,-1.3164,-0.9475,-0.9154,0.8263,0.8916,1.032,1.2471,1.3201,D01472_D05AX04,000000040000822400000001000000000000008000404000000000000000000012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000004000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040402004,0000000002001200020a008794892cc00d54b7d41c,0,0,73,3,0,6,74,76,-8.412,-0.09,7,,0.897510707,+,1.6887,-,1.6887,https://www.genome.jp/dbget-bin/www_bget?dr:D01472
2292,D01132, Tazarotene (JAN/USAN/INN), Other antipsoriatics for topical use,D05AX05,DERMATOLOGICALS,c1(ccc(cn1)C(=O)OCC)C#Cc1ccc2SCCC(c2c1)(C)C,351.462,4.4315,101.62299999999999,64.49,25,0,4,OGQICQVSFDPSEI-UHFFFAOYSA-N,C21H21NO2S,CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2,"InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3",-4.269,-2.8962,-2.5306,-1.5119,-1.2119,-1.0535,0.5912,0.8126,0.8327,1.0807,1.2123,D01132_D05AX05,20840101000000d05200030004024004000000004080084800200480042424001d00400201018021408a8408010100e0110000001040210004000002000002040c400c0a800402020000050000880108008000600400510851480a000009001400000000000040002040000031b0440090021d5002490200001a820002020010,04000000303105,2b00080020000000000090000000000040010000000090000000000000000000000046c0402000,0000010008000004030281001391ae25009315df1f,0,12,34,1,1,3,46,48,-8.334,-0.8809999999999999,0,-1.0,0.943985045,-,0.5541,-,0.5541,https://www.genome.jp/dbget-bin/www_bget?dr:D01132
2293,D07521, Bergaptene (DCF), Psoralens for systemic use,D05BA03,DERMATOLOGICALS,c12c(c3c(cc1oc(=O)cc2)occ3)OC,216.19,2.5478,58.748000000000005,52.58,10,0,4,BGEBZHIAGXMEMV-UHFFFAOYSA-N,C12H8O4,COc1c2ccc(=O)oc2cc2c1cco2,"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",-4.7276,-1.7028,-1.0232,-0.9364,-0.7365,-0.7204,0.4416,0.4716,0.474,0.4847,0.7011,D07521_D05BA03,0000000000000000000a02010022000a00001008500000000000000000000008000018000800200008000008000000000000820000000008400000000000000008000000810000018000200002c4004000804040800000004008004000400802000220400000400220004000101a040000020000080008240800200040000000,00000000503001,00000200000000000000a00000000000000100000000a100000000000000000000004640402000,00000000000000010000049112018164004983d21e,0,15,10,1,0,1,24,26,-9.386000000000001,-1.156,0,1.0,0.09617025400000001,+,0.5816,-,0.5816,https://www.genome.jp/dbget-bin/www_bget?dr:D07521
2294,D00316, Etretinate (JAN/USAN/INN), Retinoids for treatment of psoriasis,D05BB01,DERMATOLOGICALS,c1(c(c(c(cc1C)OC)C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C,354.483,5.6455,110.663,35.53,33,0,3,HQMNCQVAMBCHCO-DJRRULDNSA-N,C23H30O3,CCOC(=O)C=C(C=CC=C(C=Cc1c(C)cc(c(c1C)C)OC)C)C,"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+",-4.8243,-3.2137,-1.2121,-1.0258,-0.9306,-0.8345,0.3764,0.4495,0.4628,0.7026,1.2009999999999998,D00316_D05BB01,10000001000080040000220840434000000000400020420000000080001400011000400001804000000a000810001000000202009000092000004002000402000c200800030000010000222002800000008000400000004040081000000100010004000080000482010000000110004200020100080300200800044000040800,04000000703005,110002000000000000009000000000000001000000000000000000000000000000000240437800,0000000000000200000800100410036400d0b2d71e,0,6,45,5,0,8,56,56,-8.37,-1.129,0,-1.0,0.928657293,+,0.7675,-,0.7675,https://www.genome.jp/dbget-bin/www_bget?dr:D00316
2295,D02754, Acitretin (USP/INN), Retinoids for treatment of psoriasis,D05BB02,DERMATOLOGICALS,c1(c(cc(c(c1C)C)OC)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,326.42900000000003,5.167000000000001,101.536,46.53,28,1,3,IHUNBGSDBOWDMA-AQFIFDHZSA-N,C21H26O3,COc1cc(C)c(c(c1C)C)C=CC(=CC=CC(=CC(=O)O)C)C,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",-4.864,-4.806,-1.3313,-1.0208,-0.9285,-0.5679,0.4637,0.5209,0.5412,0.6990000000000001,2.3701,D02754_D05BB02,00000001000080040000220800434000000000400020420000000080001000011000400001804000000a000810001000000202009000090000004002000400000c200800030000010000222002800000008000400000000040081000000100010004000080000482010000000110004200020100080300200800044000040800,0400000c50b003,110002000000000000008800000000000001000000000000000000000000000000000240437800,0000000000000200000800100400016400d4b2d21e,0,6,39,5,0,6,50,50,-4.895,1.6130000000000002,0,1.0,0.003740351,+,0.6138,-,0.6138,https://www.genome.jp/dbget-bin/www_bget?dr:D02754
2296,D03680, Demeclocycline (USP), Tetracycline and derivatives,D06AA01,DERMATOLOGICALS,[C@@H]12[C@](C(=C3[C@H](C2)[C@@H](c2c(C3=O)c(ccc2Cl)O)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,465.861,-0.4519,111.796,182.82,31,7,9,FMTDIUIBLCQGJB-SEYHBJAFSA-O,C21H22ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/p+1/t6-,7-,14-,15-,21-/m0/s1",-5.9961,-5.7448,-5.2471,-4.6075,-4.5948,-4.2096,1.9942,2.2018,2.2752,2.5091,2.9155,D03680_D06AA01,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500006d02f001,06684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1142b4ecfbfa1f,0,6,46,5,0,2,54,57,-11.431,-5.23,5,,0.002804745,+,3.3032,-,3.3032,https://www.genome.jp/dbget-bin/www_bget?dr:D03680
2297,D03680, Demeclocycline (USP), Tetracyclines,J01AA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H](C2)[C@@H](c2c(C3=O)c(ccc2Cl)O)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,465.861,-0.4519,111.796,182.82,31,7,9,FMTDIUIBLCQGJB-SEYHBJAFSA-O,C21H22ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/p+1/t6-,7-,14-,15-,21-/m0/s1",-5.9877,-5.7453,-5.2486,-4.6097,-4.595,-4.2092,1.9957,2.2004,2.2826,2.4855,2.912,D03680_J01AA01,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500006d02f001,06684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1142b4ecfbfa1f,0,6,46,5,0,2,54,57,-11.431,-5.23,5,,0.002804745,+,3.3032,-,3.3032,https://www.genome.jp/dbget-bin/www_bget?dr:D03680
2298,D00290, Demeclocycline hydrochloride (USP), Tetracycline and derivatives,D06AA01,DERMATOLOGICALS,[C@@H]12[C@](C(=C3[C@H](C2)[C@@H](c2c(C3=O)c(ccc2Cl)O)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,465.861,-0.4519,111.796,182.82,31,7,9,FMTDIUIBLCQGJB-SEYHBJAFSA-O,C21H22ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/p+1/t6-,7-,14-,15-,21-/m0/s1",-5.9956,-5.7493,-5.2482,-4.6094,-4.5939,-4.2098,1.9952,2.2021,2.2802,2.5094,2.9155,D00290_D06AA01,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500006d02f001,06684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1142b4ecfbfa1f,0,6,46,5,0,2,54,57,-11.431,-5.23,5,0.0,0.002802743,+,3.3032,-,3.3032,https://www.genome.jp/dbget-bin/www_bget?dr:D00290
2299,D00290, Demeclocycline hydrochloride (USP), Tetracyclines,J01AA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12[C@](C(=C3[C@H](C2)[C@@H](c2c(C3=O)c(ccc2Cl)O)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,465.861,-0.4519,111.796,182.82,31,7,9,FMTDIUIBLCQGJB-SEYHBJAFSA-O,C21H22ClN2O8+,C[NH+](C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/p+1/t6-,7-,14-,15-,21-/m0/s1",-5.9953,-5.7436,-5.247999999999999,-4.6077,-4.5953,-4.2094,1.9943,2.2018,2.276,2.5086,2.9157,D00290_J01AA01,000ec300000002f40248060002400004800000900042500001460088003020001400540080c00007f007021800154040012a03001020e50020015002004600a008210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c100000603c08240800039000a063100021b9022088800cf30800700,1500006d02f001,06684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000200003300820a785f55ad1142b4ecfbfa1f,0,6,46,5,0,2,54,57,-11.431,-5.23,5,0.0,0.002802743,+,3.3032,-,3.3032,https://www.genome.jp/dbget-bin/www_bget?dr:D00290
2300,D00205, Oxytetracycline (JAN/USP/INN), Tetracycline and derivatives,D06AA03,DERMATOLOGICALS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9975,-5.7263,-5.2387,-4.606,-4.5999,-4.2099,2.2095,2.2681,2.2885,2.508,2.9163,D00205_D06AA03,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.540999999999999,-4.908,6,0.0,0.000678915,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D00205
2301,D00205, Oxytetracycline (JAN/USP/INN), Antibiotics,G01AA07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9958,-5.7229,-5.2475,-4.6087,-4.5997,-4.2097,2.2087,2.2652,2.2918,2.5064,2.9165,D00205_G01AA07,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.540999999999999,-4.908,6,0.0,0.000678915,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D00205
2302,D00205, Oxytetracycline (JAN/USP/INN), Tetracyclines,J01AA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9977,-5.7277,-5.2388,-4.6057,-4.5999,-4.2095,2.2097,2.2675,2.2876,2.5082,2.9162,D00205_J01AA06,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.540999999999999,-4.908,6,0.0,0.000678915,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D00205
2303,D00205, Oxytetracycline (JAN/USP/INN), Antibiotics,S01AA04,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.997999999999999,-5.7225,-5.2409,-4.6067,-4.6007,-4.2104,2.2095,2.2682,2.2919,2.5077,2.9175,D00205_S01AA04,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.540999999999999,-4.908,6,0.0,0.000678915,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D00205
2304,D01596, Oxytetracycline hydrochloride (JP17/USP, Tetracycline and derivatives,D06AA03,DERMATOLOGICALS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.997999999999999,-5.7225,-5.2482,-4.6075,-4.5973,-4.2096,2.2083,2.2791,2.2883,2.5058,2.9168,D01596_D06AA03,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.539000000000001,-4.906000000000001,6,-1.0,0.0007310260000000001,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D01596
2305,D01596, Oxytetracycline hydrochloride (JP17/USP, Antibiotics,G01AA07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9976,-5.723,-5.256,-4.609,-4.599,-4.2068,2.2079,2.2638,2.289,2.5066,2.9223,D01596_G01AA07,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.539000000000001,-4.906000000000001,6,-1.0,0.0007310260000000001,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D01596
2306,D01596, Oxytetracycline hydrochloride (JP17/USP, Tetracyclines,J01AA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9957,-5.7246,-5.2385,-4.6131,-4.5905,-4.2096,2.207,2.2603,2.2955,2.4742,2.9145,D01596_J01AA06,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.539000000000001,-4.906000000000001,6,-1.0,0.0007310260000000001,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D01596
2307,D01596, Oxytetracycline hydrochloride (JP17/USP, Antibiotics,S01AA04,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,35,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9978,-5.7275,-5.2468,-4.6076,-4.5998,-4.2102,2.2091,2.2646,2.2897,2.509,2.9159,D01596_S01AA04,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-11.539000000000001,-4.906000000000001,6,-1.0,0.0007310260000000001,+,3.0837,-,3.0837,https://www.genome.jp/dbget-bin/www_bget?dr:D01596
2308,D05322, Oxytetracycline calcium (USP), Tetracycline and derivatives,D06AA03,DERMATOLOGICALS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,33,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9966,-5.7241,-5.2412,-4.6079,-4.6006,-4.2139,2.2082,2.2674,2.2939,2.5067,2.9183,D05322_D06AA03,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-3.622,0.9079999999999999,6,1.0,0.002407805,+,3.0465,-,3.0465,https://www.genome.jp/dbget-bin/www_bget?dr:D05322
2309,D05322, Oxytetracycline calcium (USP), Antibiotics,G01AA07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,33,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-5.9962,-5.7245,-5.2467,-4.6062,-4.6008,-4.2099,2.2089,2.2673,2.2823,2.5073,2.9160000000000004,D05322_G01AA07,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-3.622,0.9079999999999999,6,1.0,0.002407805,+,3.0465,-,3.0465,https://www.genome.jp/dbget-bin/www_bget?dr:D05322
2310,D05322, Oxytetracycline calcium (USP), Tetracyclines,J01AA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,33,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-6.0011,-5.7227,-5.2384,-4.6102,-4.5923,-4.2098,2.2096,2.2734,2.2909,2.5018,2.9172,D05322_J01AA06,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-3.622,0.9079999999999999,6,1.0,0.002407805,+,3.0465,-,3.0465,https://www.genome.jp/dbget-bin/www_bget?dr:D05322
2311,D05322, Oxytetracycline calcium (USP), Antibiotics,S01AA04,SENSORY ORGANS,[C@H]12[C@](C(=C3[C@H]([C@@H]1O)[C@](c1c(C3=O)c(ccc1)O)(C)O)O)(C(=O)C(=C([C@H]2[NH+](C)C)O)C(=O)N)O,461.44199999999995,-1.9604,112.63799999999999,203.05,33,8,10,IWVCMVBTMGNXQD-PXOLEDIWSA-O,C22H25N2O9+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/p+1/t12-,13-,14+,17+,21-,22+/m1/s1",-6.0024,-5.7244,-5.25,-4.6073,-4.5935,-4.2111,2.2076,2.2838,2.303,2.5079,2.9166,D05322_S01AA04,000ec100000002f402400600024000048000009000424000014600880010200014005400c0c00007f007021800054000012a03001020e501200150020046002008210800240400000000a1032a81029c40d8414000023008ca88d80040090491030e0028c110000203c08240800039000a063100021b9022088800cb30000700,1500006d02f001,05684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000200003300820a385915a1114294fcfbfa1f,0,6,50,5,0,2,58,61,-3.622,0.9079999999999999,6,1.0,0.002407805,+,3.0465,-,3.0465,https://www.genome.jp/dbget-bin/www_bget?dr:D05322
2312,D04281, Fusidic acid (USAN/INN), Other antibiotics for topical use,D06AX01,DERMATOLOGICALS,C(=C\1/[C@H]2[C@]([C@]3(CC[C@H]4[C@@H]([C@@H](CC[C@@]4([C@@H]3[C@@H](C2)O)C)O)C)C)(C)C[C@@H]1OC(=O)C)(/C(=O)O)\CCC=C(C)C,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-UEVMROTKSA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9713,-4.8019,-4.4243,-3.0018,-1.9189,-1.9158,1.1345,1.4868,1.5381,1.6591,2.4331,D04281_D06AX01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.857,3.387,10,,0.037171967,+,3.6204,-,3.6204,https://www.genome.jp/dbget-bin/www_bget?dr:D04281
2313,D04281, Fusidic acid (USAN/INN), Medicated dressings with antiinfectives,D09AA02,DERMATOLOGICALS,C(=C\1/[C@H]2[C@]([C@]3(CC[C@H]4[C@@H]([C@@H](CC[C@@]4([C@@H]3[C@@H](C2)O)C)O)C)C)(C)C[C@@H]1OC(=O)C)(/C(=O)O)\CCC=C(C)C,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-UEVMROTKSA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9536,-4.6655,-4.4144,-2.9773,-1.919,-1.9153,1.2951,1.5321,1.6236,1.6947,2.3864,D04281_D09AA02,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.857,3.387,10,,0.037171967,+,3.6204,-,3.6204,https://www.genome.jp/dbget-bin/www_bget?dr:D04281
2314,D04281, Fusidic acid (USAN/INN), Steroid antibacterials,J01XC01,ANTIINFECTIVES FOR SYSTEMIC USE,C(=C\1/[C@H]2[C@]([C@]3(CC[C@H]4[C@@H]([C@@H](CC[C@@]4([C@@H]3[C@@H](C2)O)C)O)C)C)(C)C[C@@H]1OC(=O)C)(/C(=O)O)\CCC=C(C)C,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-UEVMROTKSA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9117,-4.762,-4.4162,-2.9886,-1.9243,-1.9165,1.3346,1.5298,1.589,1.7465,2.3634,D04281_J01XC01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.857,3.387,10,,0.037171967,+,3.6204,-,3.6204,https://www.genome.jp/dbget-bin/www_bget?dr:D04281
2315,D04281, Fusidic acid (USAN/INN), Antibiotics,S01AA13,SENSORY ORGANS,C(=C\1/[C@H]2[C@]([C@]3(CC[C@H]4[C@@H]([C@@H](CC[C@@]4([C@@H]3[C@@H](C2)O)C)O)C)C)(C)C[C@@H]1OC(=O)C)(/C(=O)O)\CCC=C(C)C,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-UEVMROTKSA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9031,-4.7546,-4.4247,-3.0179,-1.9206,-1.9163,1.1479,1.1886,1.5418,1.6514,2.3914,D04281_S01AA13,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.857,3.387,10,,0.037171967,+,3.6204,-,3.6204,https://www.genome.jp/dbget-bin/www_bget?dr:D04281
2316,D00213, Fusidate sodium (USAN), Other antibiotics for topical use,D06AX01,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.8985,-4.8026,-4.4233,-3.0036,-1.9646,-1.9321,1.5306,1.6335,1.8423,1.9534,2.4071,D00213_D06AX01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,0.0,0.030301215,+,3.5506,-,3.5506,https://www.genome.jp/dbget-bin/www_bget?dr:D00213
2317,D00213, Fusidate sodium (USAN), Medicated dressings with antiinfectives,D09AA02,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9239999999999995,-4.7823,-4.4314,-3.0046,-1.9326,-1.9245,1.4949,1.5329,1.6557,1.8327,2.4196,D00213_D09AA02,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,0.0,0.030301215,+,3.5506,-,3.5506,https://www.genome.jp/dbget-bin/www_bget?dr:D00213
2318,D00213, Fusidate sodium (USAN), Steroid antibacterials,J01XC01,ANTIINFECTIVES FOR SYSTEMIC USE,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9518,-4.7554,-4.4012,-3.0209,-2.0701,-1.9352,1.5315,1.6491,1.8271,1.8376,2.4143,D00213_J01XC01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,0.0,0.030301215,+,3.5506,-,3.5506,https://www.genome.jp/dbget-bin/www_bget?dr:D00213
2319,D00213, Fusidate sodium (USAN), Antibiotics,S01AA13,SENSORY ORGANS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9225,-4.7467,-4.4282,-3.0095,-1.921,-1.9181,1.0818,1.2419,1.5365,1.6522,2.3998,D00213_S01AA13,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,0.0,0.030301215,+,3.5506,-,3.5506,https://www.genome.jp/dbget-bin/www_bget?dr:D00213
2320,D08000, Diethanolamine fusidate, Other antibiotics for topical use,D06AX01,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9105,-4.7877,-4.4251,-3.0076,-1.923,-1.9181,1.0959,1.3606,1.5365,1.6589,2.4189,D08000_D06AX01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,-2.0,0.030305427000000003,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08000
2321,D08000, Diethanolamine fusidate, Medicated dressings with antiinfectives,D09AA02,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.8936,-4.8001,-4.4175,-3.0007,-1.9389,-1.9263,1.5306,1.6638,1.7809,1.7933,2.4087,D08000_D09AA02,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,-2.0,0.030305427000000003,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08000
2322,D08000, Diethanolamine fusidate, Steroid antibacterials,J01XC01,ANTIINFECTIVES FOR SYSTEMIC USE,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9269,-4.7989,-4.4172,-2.9953,-1.9398,-1.9242,1.5317,1.6395,1.736,1.8205,2.4161,D08000_J01XC01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,-2.0,0.030305427000000003,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08000
2323,D08000, Diethanolamine fusidate, Antibiotics,S01AA13,SENSORY ORGANS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9282,-4.7295,-4.4253,-3.0028,-1.9379,-1.9253,1.5309,1.5606,1.6507,1.7048,2.4221,D08000_S01AA13,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.853,3.426,10,-2.0,0.030305427000000003,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08000
2324,D08003, Fusidic acid hemihydrate, Other antibiotics for topical use,D06AX01,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9386,-4.7923,-4.4131,-2.9974,-1.9364,-1.9251,1.5292,1.6302,1.7655,1.9342,2.4049,D08003_D06AX01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.852,3.429,10,1.0,0.030285239,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08003
2325,D08003, Fusidic acid hemihydrate, Medicated dressings with antiinfectives,D09AA02,DERMATOLOGICALS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.8892,-4.7952,-4.4143,-3.0125,-2.0794,-1.9348,1.5835,1.6519,1.6626,1.8775,2.4046,D08003_D09AA02,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.852,3.429,10,1.0,0.030285239,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08003
2326,D08003, Fusidic acid hemihydrate, Steroid antibacterials,J01XC01,ANTIINFECTIVES FOR SYSTEMIC USE,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.9087,-4.7833,-4.4248,-3.0075,-1.9247,-1.9181,1.0954,1.2077,1.5387,1.6605,2.4151,D08003_J01XC01,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.852,3.429,10,1.0,0.030285239,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08003
2327,D08003, Fusidic acid hemihydrate, Antibiotics,S01AA13,SENSORY ORGANS,C1[C@H]([C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@H]1O)/C(=C(/C(=O)O)\CCC=C(C)C)/[C@H](C2)OC(=O)C)C)C)C)C)O,516.7090000000001,5.6661,146.327,104.06,53,3,6,IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,CC(=O)OC1CC2(C(C1=C(C(=O)O)CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",-4.961,-4.7123,-4.415,-3.0111,-1.9343,-1.9233,1.5309,1.6492,1.8765,1.9194,2.4042,D08003_S01AA13,10008000000002240200000100020000000000800040400000140000001420001000000000800001800a0000200000000120000010204122000000000000820008100800000400000000800200800204019040400000004008801000000000010204000880000002000800000000190000030100000100000000008100000100,0400002c30a007,1f2800000000000000009800000000000001000000000000000000000000000000004040407805,0000000000000200020a008694892ce48d5cb7d61c,0,0,84,4,0,6,85,88,-4.852,3.429,10,1.0,0.030285239,+,3.6205,-,3.6205,https://www.genome.jp/dbget-bin/www_bget?dr:D08003
2328,D00104, Chloramphenicol (JP17/USP/INN), Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2988,-4.3236,-4.2922,-3.8235,-3.7567,-2.8836,2.0534,2.3568,2.4034,2.411,2.612,D00104_D06AX02,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2329,D00104, Chloramphenicol (JP17/USP/INN), Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2989,-4.3013,-4.2913,-3.845,-3.8248,-2.8715,2.2368,2.2877,2.3596,2.4789,2.6237,D00104_D10AF03,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2330,D00104, Chloramphenicol (JP17/USP/INN), Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2985,-4.3085,-4.2944,-3.8247,-3.8219,-2.9138,2.2312,2.3251,2.3589,2.4778,2.6268,D00104_G01AA05,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2331,D00104, Chloramphenicol (JP17/USP/INN), Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2978,-4.3195,-4.294,-3.845,-3.8285,-2.8975,2.3612,2.4224,2.4294,2.4474,2.6341,D00104_J01BA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2332,D00104, Chloramphenicol (JP17/USP/INN), Antibiotics,S01AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2974,-4.3217,-4.2932,-3.8204,-3.8117,-2.8896,2.3593,2.444,2.4601,2.4619,2.6263,D00104_S01AA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2333,D00104, Chloramphenicol (JP17/USP/INN), Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.2994,-4.331,-4.2874,-3.8185,-3.7572,-2.9109,2.1963,2.2686,2.3545,2.4642,2.6331,D00104_S02AA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2334,D00104, Chloramphenicol (JP17/USP/INN), Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-RKDXNWHRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9-/m1/s1",-5.294,-4.3217,-4.2902,-3.8188,-3.7607,-2.8805,2.0546,2.3521,2.4398,2.4727,2.6094,D00104_S03AA08,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857000000000001,-1.916,2,0.0,0.17022882399999997,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D00104
2335,D01072, Chloramphenicol palmitate (JP17/USP), Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.2985,-4.3456,-4.301,-4.2933,-3.8297,-3.7961,2.0498,2.2487,2.2951,2.363,2.6247,D01072_D06AX02,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2336,D01072, Chloramphenicol palmitate (JP17/USP), Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.2877,-4.3942,-4.331,-4.1623,-3.8118,-3.7496,1.5704,1.8435,2.0846,2.4516,2.76,D01072_D10AF03,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2337,D01072, Chloramphenicol palmitate (JP17/USP), Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.2993,-4.4839,-4.3097,-4.2921,-3.8357,-3.7889,1.5505,2.0542,2.3562,2.4534,2.6302,D01072_G01AA05,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2338,D01072, Chloramphenicol palmitate (JP17/USP), Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.3003,-4.5146,-4.3086,-4.2921,-3.8334,-3.782,2.0519,2.094,2.3586,2.4758,2.6218,D01072_J01BA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2339,D01072, Chloramphenicol palmitate (JP17/USP), Antibiotics,S01AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.2986,-4.3339,-4.3245,-4.2928,-3.8202,-3.8034,2.0535,2.2641,2.3537,2.3589,2.6414,D01072_S01AA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2340,D01072, Chloramphenicol palmitate (JP17/USP), Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.2955,-4.4662,-4.32,-4.2963,-3.8188,-3.7880000000000003,2.0556,2.258,2.3011,2.3577,2.6321,D01072_S02AA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2341,D01072, Chloramphenicol palmitate (JP17/USP), Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,562.5459999999999,7.7467,149.83,125.29,50,3,5,ONGHDUWVEACYNV-ILBGXUMGSA-N,C27H43Cl2N2O6,CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C27H43Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)(H,35,36)/t23-,25-/m1/s1",-5.3001,-4.3982,-4.3384,-4.2894,-3.8053,-3.7539,2.2714,2.2952,2.3581,2.3639,2.6248,D01072_S03AA08,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,71,3,0,23,80,80,-10.865,-1.74,2,,0.9973489640000001,+,3.5979,-,3.5979,https://www.genome.jp/dbget-bin/www_bget?dr:D01072
2342,D02185, Chloramphenicol sodium succinate (JP17/, Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2987,-4.5608,-4.4719999999999995,-4.4110000000000005,-4.3186,-4.2860000000000005,2.3523,2.3627,2.4094,2.4678,2.6225,D02185_D06AX02,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2343,D02185, Chloramphenicol sodium succinate (JP17/, Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2973,-4.5678,-4.4592,-4.4302,-4.3277,-4.2907,2.3253,2.3559,2.3676,2.4006,2.6241,D02185_D10AF03,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2344,D02185, Chloramphenicol sodium succinate (JP17/, Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.3015,-4.6112,-4.4673,-4.3745,-4.3523,-4.3298,2.2842,2.3983,2.4565,2.5733,2.6337,D02185_G01AA05,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2345,D02185, Chloramphenicol sodium succinate (JP17/, Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2973,-4.5577,-4.4074,-4.3952,-4.328,-4.294,2.3581,2.3589,2.4181,2.4654,2.6265,D02185_J01BA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2346,D02185, Chloramphenicol sodium succinate (JP17/, Antibiotics,S01AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2982,-4.5512,-4.4139,-4.3433,-4.3168,-4.292,2.3558,2.3631,2.3919,2.4855,2.6272,D02185_S01AA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2347,D02185, Chloramphenicol sodium succinate (JP17/, Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.295,-4.5524,-4.4616,-4.4221,-4.3257,-4.2932,2.3583,2.3635,2.4004,2.4261,2.6269,D02185_S02AA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2348,D02185, Chloramphenicol sodium succinate (JP17/, Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2988,-4.5893,-4.4524,-4.4481,-4.3054,-4.29,2.3536,2.3914,2.483,2.5545,2.6262,D02185_S03AA08,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.732,-0.521,2,0.0,0.002178681,+,1.1522,-,1.1522,https://www.genome.jp/dbget-bin/www_bget?dr:D02185
2349,D07674, Chloramphenicol stearate, Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.2401,-4.4173,-4.22,-4.2191,-3.7975,-3.7607,1.6786,2.0995,2.1297,2.3679,2.6156,D07674_D06AX02,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2350,D07674, Chloramphenicol stearate, Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.2943,-4.4764,-4.2959,-4.2912,-3.8367,-3.7964,1.5347,1.8643,2.0629,2.3468,2.6178,D07674_D10AF03,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2351,D07674, Chloramphenicol stearate, Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.3033,-4.4904,-4.3341,-4.2848,-3.8383,-3.7875,1.5489,2.0705,2.3949,2.4568,2.5987,D07674_G01AA05,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2352,D07674, Chloramphenicol stearate, Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.2966,-4.3828,-4.3163,-4.2904,-3.8326,-3.7897,2.0201,2.0532,2.3549,2.3609999999999998,2.6459,D07674_J01BA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2353,D07674, Chloramphenicol stearate, Antibiotics,S01AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.2999,-4.3816,-4.2918,-4.2902,-3.8386,-3.7874,1.5313,1.8723,2.0533,2.3563,2.6237,D07674_S01AA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2354,D07674, Chloramphenicol stearate, Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.2954,-4.387,-4.2901,-4.2889,-3.8366,-3.8325,2.0621,2.0952,2.3243,2.3475,2.6501,D07674_S02AA01,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2355,D07674, Chloramphenicol stearate, Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCCCCCCCCCCCCCCCC)O)ccc(cc1)[N](=O)O,590.599,8.5269,159.444,125.29,54,3,5,FSTIDWNGJUPFEF-XNMGPUDCSA-N,C29H47Cl2N2O6,CCCCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C29H47Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)(H,37,38)/t25-,27-/m1/s1",-5.3021,-4.4195,-4.3528,-4.3329,-3.8172,-3.7032,1.6407,1.8498,2.0735,2.4574,2.5989999999999998,D07674_S03AA08,00060204000002400b000600040200051100000000008000000000c8400400101800408140000033200f201820010240010200000020400100010002000086301810080048111020000080000a800104009000400400300c6008080180090014040000000000000000400000c0000800000709c0000310001858000152000500,0500002c30f005,8328000000000000000090000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07c7eaeff2cceff1f,0,6,77,3,0,25,86,86,-10.944,-1.87,2,1.0,0.9944019909999999,+,4.498,-,4.498,https://www.genome.jp/dbget-bin/www_bget?dr:D07674
2356,D07675, Chloramphenicol succinate, Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2995,-4.5335,-4.438,-4.4218,-4.3134,-4.2916,2.3532,2.3585,2.3999,2.4475,2.6298,D07675_D06AX02,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2357,D07675, Chloramphenicol succinate, Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2966,-4.5733,-4.3978,-4.3773,-4.3051,-4.2967,2.358,2.3599,2.4155,2.4954,2.6283,D07675_D10AF03,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2358,D07675, Chloramphenicol succinate, Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2972,-4.5575,-4.41,-4.3792,-4.3406,-4.2907,2.3486,2.3537,2.3937,2.5099,2.6302,D07675_G01AA05,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2359,D07675, Chloramphenicol succinate, Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2994,-4.6212,-4.4907,-4.401,-4.3208,-4.2936,2.3631,2.3829,2.4077,2.5302,2.6354,D07675_J01BA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2360,D07675, Chloramphenicol succinate, Antibiotics,S01AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2963,-4.6001,-4.4319999999999995,-4.395,-4.3311,-4.295,2.3656,2.3949,2.4652,2.5629,2.6289999999999996,D07675_S01AA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2361,D07675, Chloramphenicol succinate, Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.2995,-4.537,-4.4779,-4.4141,-4.3144,-4.2922,2.3609999999999998,2.3673,2.4052,2.4395,2.6175,D07675_S02AA01,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2362,D07675, Chloramphenicol succinate, Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)CCC(=O)O)O)ccc(cc1)[N](=O)O,424.21,2.1302,93.9178,162.59,25,4,7,RHXPMFJJELWVEH-ZWNOBZJWSA-N,C15H17Cl2N2O8,OC(=O)CCC(=O)OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C15H17Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)(H,25,26)/t10-,13-/m1/s1",-5.303999999999999,-4.553,-4.442,-4.41,-4.3179,-4.2964,2.3641,2.3646,2.4118,2.4973,2.6243,D07675_S03AA08,00060204000000400b000600060200051100000000008000000000c8400400101800408140000033200f2018200102400102000000004011000100020000063018100800481110200000000002800104009000400400300c6008080180090014040000000000000000400000c0002000000709c0000310001858000052000400,0500002c30f007,8228000000000000000098000a0000000000000000000000000000000000000000000240c02a05,000080000000a1407000006be07470aeff2cce7f1f,0,6,34,4,0,12,44,44,-4.72,-0.531,2,1.0,0.001798015,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D07675
2363,D03461, Chloramphenicol pantothenate complex (U, Other antibiotics for topical use,D06AX02,DERMATOLOGICALS,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.3016,-4.3115,-4.2869,-3.8259,-3.8169,-2.8789,2.2886,2.3548,2.3905,2.4909,2.6266,D03461_D06AX02,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2364,D03461, Chloramphenicol pantothenate complex (U, Antiinfectives for treatment of acne,D10AF03,DERMATOLOGICALS,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2985,-4.3294,-4.2941,-3.8201,-3.8079,-2.8848,1.9218,2.0524,2.3604,2.4087,2.6357,D03461_D10AF03,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2365,D03461, Chloramphenicol pantothenate complex (U, Antibiotics,G01AA05,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2984,-4.3507,-4.2951,-3.8275,-3.7716,-2.8968,2.0532,2.3496,2.3634,2.5157,2.6401,D03461_G01AA05,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2366,D03461, Chloramphenicol pantothenate complex (U, Amphenicols,J01BA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2974,-4.3254,-4.2917,-3.8296,-3.8159,-2.8932,2.0539,2.3491,2.3557,2.4602,2.6292,D03461_J01BA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2367,D03461, Chloramphenicol pantothenate complex (U, Antibiotics,S01AA01,SENSORY ORGANS,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2958,-4.3284,-4.2945,-3.8264,-3.7645,-2.8887,2.346,2.3577,2.3863,2.5158,2.6267,D03461_S01AA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2368,D03461, Chloramphenicol pantothenate complex (U, Antiinfectives,S02AA01,SENSORY ORGANS,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2679,-4.3314,-4.2939,-3.8235,-3.7881,-2.8767,2.1333,2.3219,2.3658,2.4391,2.6109,D03461_S02AA01,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2369,D03461, Chloramphenicol pantothenate complex (U, Antiinfectives,S03AA08,SENSORY ORGANS,c1([C@@H]([C@H](NC(=O)C(Cl)Cl)CO)O)ccc(cc1)[N](=O)O,324.137,1.7145,72.7948,119.22,19,4,4,IWJAKVNBYYJHFE-BDAKNGLRSA-N,C11H13Cl2N2O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)C(Cl)Cl,"InChI=1S/C11H13Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)(H,19,20)/t8-,9+/m1/s1",-5.2991,-4.3358,-4.2952,-3.8306,-3.7573,-2.8727,2.0577,2.1685,2.3639,2.4082,2.6272,D03461_S03AA08,000602040000004003000600040000051000000000000000000000c840000000180040814000002320072018000102400102000000004001000100020000003018000800400110200000000002800100008000400400300c60080800800900140400000000000000004000008000000000060940000110001058000052000400,0500003c00f001,8038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b1407000026be074500af62cca7f1f,0,6,25,2,0,7,33,33,-10.857999999999999,-1.9240000000000002,2,,0.16993778899999998,+,0.3846,-,0.3846,https://www.genome.jp/dbget-bin/www_bget?dr:D03461
2370,D08013, Gentamicin (BAN), Other antibiotics for topical use,D06AX07,DERMATOLOGICALS,[C@@H]1([C@H]([C@@H](O[C@@H]2O[C@@H](CC[C@@H]2[NH3+])[C@H]([NH2+]C)C)[C@@H](C[C@H]1[NH3+])[NH3+])O)O[C@@H]1[C@@H]([C@@H]([C@@](CO1)(C)O)[NH2+]C)O,482.635,-7.5303,124.59700000000001,213.75,55,8,7,CEAZRRDELHUEMR-FOVGHHHOSA-S,C21H48N5O7+++++,C[NH2+]C(C1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+])C,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/p+5/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+/m1/s1",-5.7033,-5.6951,-5.69,-5.6574,-5.3769,-5.3759,2.3027,2.4012,2.5842,2.6926,2.9606,D08013_D06AX07,000200000000e200000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,00000000000031018280085783d8ac641c7df7f91d,0,0,83,0,0,7,81,83,-22.28,-13.568,13,-3.0,1.63616e-29,+,2.0483,-,2.0483,https://www.genome.jp/dbget-bin/www_bget?dr:D08013
2371,D08013, Gentamicin (BAN), Other aminoglycosides,J01GB03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@H]([C@@H](O[C@@H]2O[C@@H](CC[C@@H]2[NH3+])[C@H]([NH2+]C)C)[C@@H](C[C@H]1[NH3+])[NH3+])O)O[C@@H]1[C@@H]([C@@H]([C@@](CO1)(C)O)[NH2+]C)O,482.635,-7.5303,124.59700000000001,213.75,55,8,7,CEAZRRDELHUEMR-FOVGHHHOSA-S,C21H48N5O7+++++,C[NH2+]C(C1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+])C,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/p+5/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+/m1/s1",-5.727,-5.7073,-5.6981,-5.6922,-5.3802,-5.3647,2.3758,2.4057,2.5983,2.637,2.906,D08013_J01GB03,000200000000e200000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,00000000000031018280085783d8ac641c7df7f91d,0,0,83,0,0,7,81,83,-22.28,-13.568,13,-3.0,1.63616e-29,+,2.0483,-,2.0483,https://www.genome.jp/dbget-bin/www_bget?dr:D08013
2372,D08013, Gentamicin (BAN), Antibiotics,S01AA11,SENSORY ORGANS,[C@@H]1([C@H]([C@@H](O[C@@H]2O[C@@H](CC[C@@H]2[NH3+])[C@H]([NH2+]C)C)[C@@H](C[C@H]1[NH3+])[NH3+])O)O[C@@H]1[C@@H]([C@@H]([C@@](CO1)(C)O)[NH2+]C)O,482.635,-7.5303,124.59700000000001,213.75,55,8,7,CEAZRRDELHUEMR-FOVGHHHOSA-S,C21H48N5O7+++++,C[NH2+]C(C1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+])C,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/p+5/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+/m1/s1",-5.7377,-5.7347,-5.6967,-5.6486,-5.3947,-5.3711,2.4885,2.5654,2.616,2.6911,2.9286,D08013_S01AA11,000200000000e200000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,00000000000031018280085783d8ac641c7df7f91d,0,0,83,0,0,7,81,83,-22.28,-13.568,13,-3.0,1.63616e-29,+,2.0483,-,2.0483,https://www.genome.jp/dbget-bin/www_bget?dr:D08013
2373,D08013, Gentamicin (BAN), Antiinfectives,S02AA14,SENSORY ORGANS,[C@@H]1([C@H]([C@@H](O[C@@H]2O[C@@H](CC[C@@H]2[NH3+])[C@H]([NH2+]C)C)[C@@H](C[C@H]1[NH3+])[NH3+])O)O[C@@H]1[C@@H]([C@@H]([C@@](CO1)(C)O)[NH2+]C)O,482.635,-7.5303,124.59700000000001,213.75,55,8,7,CEAZRRDELHUEMR-FOVGHHHOSA-S,C21H48N5O7+++++,C[NH2+]C(C1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+])C,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/p+5/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+/m1/s1",-5.7277,-5.7016,-5.6971,-5.6614,-5.3981,-5.3651,2.7042,2.7361,2.7744,2.7891,2.9781,D08013_S02AA14,000200000000e200000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,00000000000031018280085783d8ac641c7df7f91d,0,0,83,0,0,7,81,83,-22.28,-13.568,13,-3.0,1.63616e-29,+,2.0483,-,2.0483,https://www.genome.jp/dbget-bin/www_bget?dr:D08013
2374,D08013, Gentamicin (BAN), Antiinfectives,S03AA06,SENSORY ORGANS,[C@@H]1([C@H]([C@@H](O[C@@H]2O[C@@H](CC[C@@H]2[NH3+])[C@H]([NH2+]C)C)[C@@H](C[C@H]1[NH3+])[NH3+])O)O[C@@H]1[C@@H]([C@@H]([C@@](CO1)(C)O)[NH2+]C)O,482.635,-7.5303,124.59700000000001,213.75,55,8,7,CEAZRRDELHUEMR-FOVGHHHOSA-S,C21H48N5O7+++++,C[NH2+]C(C1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+])C,"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/p+5/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+/m1/s1",-5.7166,-5.6957,-5.6913,-5.6825,-5.3945,-5.394,2.4241,2.5007,2.5894,2.7375,2.8112,D08013_S03AA06,000200000000e200000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,00000000000031018280085783d8ac641c7df7f91d,0,0,83,0,0,7,81,83,-22.28,-13.568,13,-3.0,1.63616e-29,+,2.0483,-,2.0483,https://www.genome.jp/dbget-bin/www_bget?dr:D08013
2375,D01076, Mupirocin (USP/INN), Other antibiotics for topical use,D06AX09,DERMATOLOGICALS,[C@H]1([C@H](CO[C@H]([C@@H]1O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C[C@@H]1[C@H]([C@H]([C@H](C)O)C)O1)O,500.62199999999996,2.5925,131.106,146.05,52,4,9,MINDHVHHQZYEEK-SIMMUXGFSA-N,C26H44O9,OC(=O)CCCCCCCCOC(=O)C=C(CC1OCC(C(C1O)O)CC1OC1C(C(O)C)C)C,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21+,24+,25-,26-/m0/s1",-4.7696,-4.5666,-4.4271,-3.2173,-1.9194,-1.9104,1.3226,1.5357,1.8769999999999998,2.3671,2.4121,D01076_D06AX09,10000000000002240200000000020000200000800040400000040000001400001000000800a00005801a00002000000001a000001020413100000000000082000890080004040000000080020880020400900040000200400800100100000001000400288002000200080000c000288000030100000100000000008140000500,0400002c30a007,17a800000001000000009800000000000001000000000000000000000000000000000c41407804,0080200000002201800800078618a4e48d5fb6d71c,0,0,77,3,0,17,79,80,-4.1419999999999995,1.268,8,1.0,0.007978421999999999,+,2.9668,-,2.9668,https://www.genome.jp/dbget-bin/www_bget?dr:D01076
2376,D01076, Mupirocin (USP/INN), Other nasal preparations,R01AX06,RESPIRATORY SYSTEM,[C@H]1([C@H](CO[C@H]([C@@H]1O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C[C@@H]1[C@H]([C@H]([C@H](C)O)C)O1)O,500.62199999999996,2.5925,131.106,146.05,52,4,9,MINDHVHHQZYEEK-SIMMUXGFSA-N,C26H44O9,OC(=O)CCCCCCCCOC(=O)C=C(CC1OCC(C(C1O)O)CC1OC1C(C(O)C)C)C,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21+,24+,25-,26-/m0/s1",-4.7267,-4.5672,-4.4307,-3.2545,-1.9179,-1.9065,1.3267,1.5486,1.9147,2.3679,2.4217,D01076_R01AX06,10000000000002240200000000020000200000800040400000040000001400001000000800a00005801a00002000000001a000001020413100000000000082000890080004040000000080020880020400900040000200400800100100000001000400288002000200080000c000288000030100000100000000008140000500,0400002c30a007,17a800000001000000009800000000000001000000000000000000000000000000000c41407804,0080200000002201800800078618a4e48d5fb6d71c,0,0,77,3,0,17,79,80,-4.1419999999999995,1.268,8,1.0,0.007978421999999999,+,2.9668,-,2.9668,https://www.genome.jp/dbget-bin/www_bget?dr:D01076
2377,D02195, Mupirocin calcium (USAN), Other antibiotics for topical use,D06AX09,DERMATOLOGICALS,[C@H]1([C@H](CO[C@H]([C@@H]1O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C[C@@H]1[C@H]([C@H]([C@H](C)O)C)O1)O,500.62199999999996,2.5925,131.106,146.05,52,4,9,MINDHVHHQZYEEK-SIMMUXGFSA-N,C26H44O9,OC(=O)CCCCCCCCOC(=O)C=C(CC1OCC(C(C1O)O)CC1OC1C(C(O)C)C)C,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21+,24+,25-,26-/m0/s1",-4.7018,-4.5680000000000005,-4.414,-3.2514,-1.9164,-1.9084,1.3337,1.5371,1.9408,2.3644,2.4121,D02195_D06AX09,10000000000002240200000000020000200000800040400000040000001400001000000800a00005801a00002000000001a000001020413100000000000082000890080004040000000080020880020400900040000200400800100100000001000400288002000200080000c000288000030100000100000000008140000500,0400002c30a007,17a800000001000000009800000000000001000000000000000000000000000000000c41407804,0080200000002201800800078618a4e48d5fb6d71c,0,0,77,3,0,17,79,80,-4.1419999999999995,1.266,8,1.0,0.00797661,+,2.9412,-,2.9412,https://www.genome.jp/dbget-bin/www_bget?dr:D02195
2378,D02195, Mupirocin calcium (USAN), Other nasal preparations,R01AX06,RESPIRATORY SYSTEM,[C@H]1([C@H](CO[C@H]([C@@H]1O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C[C@@H]1[C@H]([C@H]([C@H](C)O)C)O1)O,500.62199999999996,2.5925,131.106,146.05,52,4,9,MINDHVHHQZYEEK-SIMMUXGFSA-N,C26H44O9,OC(=O)CCCCCCCCOC(=O)C=C(CC1OCC(C(C1O)O)CC1OC1C(C(O)C)C)C,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21+,24+,25-,26-/m0/s1",-4.8375,-4.5637,-4.418,-3.1435,-2.0232,-1.9140000000000001,1.3399,1.5238,1.6898,2.37,2.4083,D02195_R01AX06,10000000000002240200000000020000200000800040400000040000001400001000000800a00005801a00002000000001a000001020413100000000000082000890080004040000000080020880020400900040000200400800100100000001000400288002000200080000c000288000030100000100000000008140000500,0400002c30a007,17a800000001000000009800000000000001000000000000000000000000000000000c41407804,0080200000002201800800078618a4e48d5fb6d71c,0,0,77,3,0,17,79,80,-4.1419999999999995,1.266,8,1.0,0.00797661,+,2.9412,-,2.9412,https://www.genome.jp/dbget-bin/www_bget?dr:D02195
2379,D02543, Amikacin (USP/INN), Other antibiotics for topical use,D06AX12,DERMATOLOGICALS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.4001,-5.3814,-5.3753,-5.374,-5.372999999999999,-5.3686,2.6115,2.6208,2.6344,2.8657,2.907,D02543_D06AX12,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.53,-10.585999999999999,16,2.0,6.810789999999999e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D02543
2380,D02543, Amikacin (USP/INN), Other aminoglycosides,J01GB06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.5253,-5.3893,-5.3863,-5.3831,-5.3787,-5.3741,2.5818,2.5953,2.6484,2.8317,3.0762,D02543_J01GB06,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.53,-10.585999999999999,16,2.0,6.810789999999999e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D02543
2381,D02543, Amikacin (USP/INN), Antibiotics,S01AA21,SENSORY ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.4001,-5.3828,-5.3788,-5.372999999999999,-5.3687,-5.3657,2.661,2.7159,2.7603,2.9776,3.1628,D02543_S01AA21,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.53,-10.585999999999999,16,2.0,6.810789999999999e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D02543
2382,D00865, Amikacin sulfate (JP17/USP), Other antibiotics for topical use,D06AX12,DERMATOLOGICALS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.3883,-5.3843,-5.3797,-5.3793,-5.3729,-5.3728,2.4459,2.6134,2.9147,3.0136,3.1877,D00865_D06AX12,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.542,-10.609000000000002,16,1.0,6.83187e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D00865
2383,D00865, Amikacin sulfate (JP17/USP), Other aminoglycosides,J01GB06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.3958,-5.3903,-5.3782,-5.3779,-5.3727,-5.3578,2.5845,2.7985,2.801,2.9695,3.1767,D00865_J01GB06,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.542,-10.609000000000002,16,1.0,6.83187e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D00865
2384,D00865, Amikacin sulfate (JP17/USP), Antibiotics,S01AA21,SENSORY ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C[NH3+])[NH3+])NC(=O)[C@H](CC[NH3+])O)O)[NH3+])O)CO,589.634,-10.9005,134.023,338.42,61,13,14,LKCWBDHBTVXHDL-RMDFUYIESA-R,C22H47N5O13++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",-5.4213,-5.3878,-5.3802,-5.3736,-5.3719,-5.3698,2.3545,2.4091,2.6177,2.8499,3.0565,D00865_S01AA21,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004018040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031018080024f8b70b0641c6fe77f1d,0,0,88,1,0,11,87,89,-18.542,-10.609000000000002,16,1.0,6.83187e-20,+,2.4193,-,2.4193,https://www.genome.jp/dbget-bin/www_bget?dr:D00865
2385,D05720, Retapamulin (USAN/INN), Other antibiotics for topical use,D06AX13,DERMATOLOGICALS,C1[C@@H]2[N@H+]([C@@H](CC2)C[C@@H]1SCC(=O)O[C@H]1[C@]2([C@H]3[C@]([C@H]([C@@H]([C@@](C1)(C=C)C)O)C)(CCC3=O)CC[C@H]2C)C)C,518.771,5.4034,152.512,93.34,53,2,5,STZYTFJPGGDRJD-NHUWBDDWSA-O,C30H48NO4S+,C=CC1(C)CC(OC(=O)CSC2CC3CCC(C2)[NH+]3C)C2(C)C(C)CCC3(C(C1O)C)C2C(=O)CC3,"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/p+1/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1",-6.0248,-4.6301,-4.5999,-4.5825,-4.4338,-3.0036,1.5332,1.5490000000000002,1.5511,1.5546,1.6022,D05720_D06AX13,00220105000002242200040100020000403000900000000010000000008400081000300000030001120a001020000040010200000020401200010000000082040810080014040000000084802a8001040090075000302000c0401000000020040004002000000000300000000000290040071180010110000000008100000500,1500002c30e105,1f284102140001000000900000000000000000000000000000000000000000000000e400c02a05,00000400020001800204959696c92ce78d5dffff1d,0,0,85,3,0,6,84,88,-11.735999999999999,-3.764,10,0.0,0.64483887,-,3.0741,-,3.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D05720
2386,D00433," Sulfadiazine, silver (USP)", Sulfonamides,D06BA01,DERMATOLOGICALS,c1(S(=O)(=O)Nc2ncccn2)ccc(cc1)N,250.27700000000002,2.5946,63.5501,106.35,15,2,6,SEEPANYCNGTZFQ-UHFFFAOYSA-N,C10H10N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",-9.4184,-9.361,-9.3377,-6.4258,-5.4787,-5.4781,2.7553,2.84,2.8932,2.9499,3.9213,D00433_D06BA01,e00001000000004000004620080400004c00000400000000000000000000000008004008440880200010200e000000c00160200000004000000000000020000004002c0040002080010000000000000000800020042000004008000000010000000000000020000000400000120000000006b000000000010020880012000000,0000000000b021,000040080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591892023829009d62149681f,0,12,14,2,0,3,27,28,-9.102,-7.136,0,,0.00858211,+,0.4485,-,0.4485,https://www.genome.jp/dbget-bin/www_bget?dr:D00433
2387,D00433," Sulfadiazine, silver (USP)", Intermediate-acting sulfonamides,J01EC02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ncccn2)ccc(cc1)N,250.27700000000002,2.5946,63.5501,106.35,15,2,6,SEEPANYCNGTZFQ-UHFFFAOYSA-N,C10H10N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",-9.4437,-9.3698,-9.3053,-6.4198,-5.4811,-5.4777,2.759,2.8406,2.8861,2.9537,3.937,D00433_J01EC02,e00001000000004000004620080400004c00000400000000000000000000000008004008440880200010200e000000c00160200000004000000000000020000004002c0040002080010000000000000000800020042000004008000000010000000000000020000000400000120000000006b000000000010020880012000000,0000000000b021,000040080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591892023829009d62149681f,0,12,14,2,0,3,27,28,-9.102,-7.136,0,,0.00858211,+,0.4485,-,0.4485,https://www.genome.jp/dbget-bin/www_bget?dr:D00433
2388,D01047, Sulfathiazole (USP/INN), Sulfonamides,D06BA02,DERMATOLOGICALS,c1(S(=O)(=O)Nc2sccn2)ccc(cc1)N,255.317,3.2611,63.6321,121.7,14,2,6,JNMRHUJNCSQMMB-UHFFFAOYSA-N,C9H9N3O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",-9.3706,-9.3443,-8.6378,-5.1056,-5.1048,-4.167,2.4075,2.4387,2.5331,2.6082,3.9727,D01047_D06BA02,600001000001000000200620080400004c000004000000000000000c0000000008004108040800208010208a000000c0016020001000400080000000002000000400640040203080010000000000000000800030042a00004008000000000000088002024001020000000080160000000102b000000080010020880012000300,0000000000b021,00004008000000000000000000000000000000000000d000000024000000000000000640402800,000000800940449e15118da021829009d62148681f,0,11,13,2,0,3,25,26,-9.221,-1.227,0,0.0,0.058585007,-,0.6728,-,0.6728,https://www.genome.jp/dbget-bin/www_bget?dr:D01047
2389,D01047, Sulfathiazole (USP/INN), Short-acting sulfonamides,J01EB07,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2sccn2)ccc(cc1)N,255.317,3.2611,63.6321,121.7,14,2,6,JNMRHUJNCSQMMB-UHFFFAOYSA-N,C9H9N3O2S2,Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",-9.3673,-9.35,-8.6484,-5.1047,-5.1044,-4.1666,2.4073,2.4534,2.5323,2.609,3.9861,D01047_J01EB07,600001000001000000200620080400004c000004000000000000000c0000000008004108040800208010208a000000c0016020001000400080000000002000000400640040203080010000000000000000800030042a00004008000000000000088002024001020000000080160000000102b000000080010020880012000300,0000000000b021,00004008000000000000000000000000000000000000d000000024000000000000000640402800,000000800940449e15118da021829009d62148681f,0,11,13,2,0,3,25,26,-9.221,-1.227,0,0.0,0.058585007,-,0.6728,-,0.6728,https://www.genome.jp/dbget-bin/www_bget?dr:D01047
2390,D02351, Mafenide (USAN/INN), Sulfonamides,D06BA03,DERMATOLOGICALS,c1(ccc(cc1)C[NH3+])S(=O)(=O)N,187.239,0.857,46.3675,96.18,14,2,3,TYMRLRRVMHJFTF-UHFFFAOYSA-O,C7H11N2O2S+,[NH3+]Cc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)/p+1",-12.1563,-9.3897,-9.3822,-5.7882,-5.7875,-5.3852,2.2174,2.3998,3.6536,3.6552,3.9031,D02351_D06BA03,200001000000040000000620000000002800000000000000000000800000000008004008000000000080080800000080002000000000000000000002000000000000000000002080010000000008000000800060002000004008000000000000001000000000000000000000080000000006b100000100010010800010000000,0100000000f001,0000c0000400000000000000000000000000000000000000000024000000000000000240c02a00,000000800100459e14018b20288210088620486d1f,0,6,15,2,0,2,23,23,-13.98,-4.709,0,1.0,5.12728e-07,-,0.2263,-,0.2263,https://www.genome.jp/dbget-bin/www_bget?dr:D02351
2391,D01166, Mafenide acetate (JAN/USP), Sulfonamides,D06BA03,DERMATOLOGICALS,c1(ccc(cc1)C[NH3+])S(=O)(=O)N,187.239,0.857,46.3675,96.18,14,2,3,TYMRLRRVMHJFTF-UHFFFAOYSA-O,C7H11N2O2S+,[NH3+]Cc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)/p+1",-12.1627,-9.3871,-9.3823,-5.7871,-5.7866,-5.385,2.2169,2.4006,3.6538,3.6552,3.905,D01166_D06BA03,200001000000040000000620000000002800000000000000000000800000000008004008000000000080080800000080002000000000000000000002000000000000000000002080010000000008000000800060002000004008000000000000001000000000000000000000080000000006b100000100010010800010000000,0100000000f001,0000c0000400000000000000000000000000000000000000000024000000000000000240c02a00,000000800100459e14018b20288210088620486d1f,0,6,15,2,0,2,23,23,-13.979000000000001,-4.706,0,1.0,5.12611e-07,-,0.2263,-,0.2263,https://www.genome.jp/dbget-bin/www_bget?dr:D01166
2392,D04815, Homosulfamine, Sulfonamides,D06BA03,DERMATOLOGICALS,c1(ccc(cc1)C[NH3+])S(=O)(=O)N,187.239,0.857,46.3675,96.18,14,2,3,TYMRLRRVMHJFTF-UHFFFAOYSA-O,C7H11N2O2S+,[NH3+]Cc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)/p+1",-12.1557,-9.3924,-9.3788,-5.7868,-5.7865,-5.3834,2.2153,2.4008,3.6549,3.6552,3.9046,D04815_D06BA03,200001000000040000000620000000002800000000000000000000800000000008004008000000000080080800000080002000000000000000000002000000000000000000002080010000000008000000800060002000004008000000000000001000000000000000000000080000000006b100000100010010800010000000,0100000000f001,0000c0000400000000000000000000000000000000000000000024000000000000000240c02a00,000000800100459e14018b20288210088620486d1f,0,6,15,2,0,2,23,23,-13.982999999999999,-4.707,0,-2.0,5.12934e-07,-,0.2263,-,0.2263,https://www.genome.jp/dbget-bin/www_bget?dr:D04815
2393,D08543, Sulfanilamide (INN), Sulfonamides,D06BA05,DERMATOLOGICALS,S(=O)(=O)(c1ccc(cc1)N)N,172.205,2.2785,41.8408,94.56,12,2,4,FDDDEECHVMSUSB-UHFFFAOYSA-N,C6H8N2O2S,Nc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",-12.1385,-9.3779,-9.3766,-5.7994,-5.7964,-5.1052,1.9452,2.4027,3.6608,3.6719,3.9045,D08543_D06BA05,2000010000000000000006200000000048000000000000000000000000000000080040080000002000000008000000c0002000000000000000000000000000000000000040002080010000000000000000800020042000004008000000000000000000000000000000000000100000000002b000000000010020800012000000,0000000000b021,000040080000000000000000000000000000000000000000000024000000000000000240402800,000000800100449e1401892020821008d62048681f,0,6,11,2,0,1,19,19,-9.277999999999999,-0.718,0,-3.0,0.00912362,-,0.2345,-,0.2345,https://www.genome.jp/dbget-bin/www_bget?dr:D08543
2394,D08543, Sulfanilamide (INN), Short-acting sulfonamides,J01EB06,ANTIINFECTIVES FOR SYSTEMIC USE,S(=O)(=O)(c1ccc(cc1)N)N,172.205,2.2785,41.8408,94.56,12,2,4,FDDDEECHVMSUSB-UHFFFAOYSA-N,C6H8N2O2S,Nc1ccc(cc1)S(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",-12.1182,-9.3809,-9.3799,-5.792999999999999,-5.7927,-5.106,1.9093,2.3994,3.6748,3.6764,3.9163,D08543_J01EB06,2000010000000000000006200000000048000000000000000000000000000000080040080000002000000008000000c0002000000000000000000000000000000000000040002080010000000000000000800020042000004008000000000000000000000000000000000000100000000002b000000000010020800012000000,0000000000b021,000040080000000000000000000000000000000000000000000024000000000000000240402800,000000800100449e1401892020821008d62048681f,0,6,11,2,0,1,19,19,-9.277999999999999,-0.718,0,-3.0,0.00912362,-,0.2345,-,0.2345,https://www.genome.jp/dbget-bin/www_bget?dr:D08543
2395,D02435, Sulfamerazine (INN), Sulfonamides,D06BA06,DERMATOLOGICALS,c1(S(=O)(=O)Nc2nccc(n2)C)ccc(cc1)N,264.30400000000003,2.903,68.5161,106.35,18,2,6,QPPBRPIAZZHUNT-UHFFFAOYSA-N,C11H12N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",-9.4256,-9.3619,-9.3343,-6.4235,-5.484,-5.4759,2.7598,2.8369,2.8971,2.9475,3.9214,D02435_D06BA06,e000010000000040000046200c0400004c00000400002000000000000000000008014008440880200010200e000000c00160200000004000000000020020000004002c0040002280010010000000000000880060042000004008000080010000000000000020000000400000160000010006b400000100010028880012000000,0000000000b021,010040080000000000000000000000000000000000009000000024000000000000000640403800,000000810100449e1591892023829009d62149e81f,0,12,17,2,0,3,30,31,-9.376,-1.1909999999999998,0,0.0,0.056764022000000004,+,0.5357,-,0.5357,https://www.genome.jp/dbget-bin/www_bget?dr:D02435
2396,D02435, Sulfamerazine (INN), Long-acting sulfonamides,J01ED07,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2nccc(n2)C)ccc(cc1)N,264.30400000000003,2.903,68.5161,106.35,18,2,6,QPPBRPIAZZHUNT-UHFFFAOYSA-N,C11H12N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",-9.4066,-9.3606,-9.3325,-6.4184,-5.4845,-5.4711,2.7547,2.8357,2.8965,2.9488,3.9203,D02435_J01ED07,e000010000000040000046200c0400004c00000400002000000000000000000008014008440880200010200e000000c00160200000004000000000020020000004002c0040002280010010000000000000880060042000004008000080010000000000000020000000400000160000010006b400000100010028880012000000,0000000000b021,010040080000000000000000000000000000000000009000000024000000000000000640403800,000000810100449e1591892023829009d62149e81f,0,12,17,2,0,3,30,31,-9.376,-1.1909999999999998,0,0.0,0.056764022000000004,+,0.5357,-,0.5357,https://www.genome.jp/dbget-bin/www_bget?dr:D02435
2397,D00342, Idoxuridine (JP17/USP/INN), Antivirals,D06BB01,DERMATOLOGICALS,[C@@H]1(n2c(=O)[nH]c(=O)c(c2)I)O[C@@H]([C@H](C1)O)CO,354.099,-1.2181,65.8243,104.55,16,3,6,XQFRJNBWHJMXHO-RRKCRQDMSA-N,C9H11IN2O5,OCC1OC(CC1O)n1cc(I)c(=O)[nH]c1=O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",-4.603,-4.1322,-3.5548,-3.355,-3.2487,-3.1697,1.7809,1.7819999999999998,1.8071,1.9339,2.3681,D00342_D06BB01,800000001000284000004601004200006000041000020020020000c000040510100030084100802510000010a0000a80011000000001c00900800000000020000c801c008010a8001001c80380920000008001400c00000cb0008081000100060000000402040000404100006000180000060382000420000000400102000000,0000003c30b001,023800000000000000008000200000004042040000208d00000000000000000000000641403804,00000004100010218194568f837691c3bdedea7f1f,0,6,21,2,0,2,28,29,-9.966000000000001,-0.511,3,1.0,0.016016983000000002,+,0.4238,-,0.4238,https://www.genome.jp/dbget-bin/www_bget?dr:D00342
2398,D00342, Idoxuridine (JP17/USP/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(n2c(=O)[nH]c(=O)c(c2)I)O[C@@H]([C@H](C1)O)CO,354.099,-1.2181,65.8243,104.55,16,3,6,XQFRJNBWHJMXHO-RRKCRQDMSA-N,C9H11IN2O5,OCC1OC(CC1O)n1cc(I)c(=O)[nH]c1=O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",-4.6127,-4.1172,-3.5513,-3.3536,-3.2425,-3.1747,1.7797,1.7821,1.8067,1.9277,2.3674,D00342_J05AB02,800000001000284000004601004200006000041000020020020000c000040510100030084100802510000010a0000a80011000000001c00900800000000020000c801c008010a8001001c80380920000008001400c00000cb0008081000100060000000402040000404100006000180000060382000420000000400102000000,0000003c30b001,023800000000000000008000200000004042040000208d00000000000000000000000641403804,00000004100010218194568f837691c3bdedea7f1f,0,6,21,2,0,2,28,29,-9.966000000000001,-0.511,3,1.0,0.016016983000000002,+,0.4238,-,0.4238,https://www.genome.jp/dbget-bin/www_bget?dr:D00342
2399,D00342, Idoxuridine (JP17/USP/INN), Antivirals,S01AD01,SENSORY ORGANS,[C@@H]1(n2c(=O)[nH]c(=O)c(c2)I)O[C@@H]([C@H](C1)O)CO,354.099,-1.2181,65.8243,104.55,16,3,6,XQFRJNBWHJMXHO-RRKCRQDMSA-N,C9H11IN2O5,OCC1OC(CC1O)n1cc(I)c(=O)[nH]c1=O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",-4.6071,-4.1269,-3.5587,-3.3508,-3.2367,-3.1724,1.7811,1.7853,1.8090000000000002,1.9214,2.3641,D00342_S01AD01,800000001000284000004601004200006000041000020020020000c000040510100030084100802510000010a0000a80011000000001c00900800000000020000c801c008010a8001001c80380920000008001400c00000cb0008081000100060000000402040000404100006000180000060382000420000000400102000000,0000003c30b001,023800000000000000008000200000004042040000208d00000000000000000000000641403804,00000004100010218194568f837691c3bdedea7f1f,0,6,21,2,0,2,28,29,-9.966000000000001,-0.511,3,1.0,0.016016983000000002,+,0.4238,-,0.4238,https://www.genome.jp/dbget-bin/www_bget?dr:D00342
2400,D07199, Tromantadine (INN), Antivirals,D06BB02,DERMATOLOGICALS,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)NC(=O)COCC[NH+](C)C,281.414,0.6234,80.9624,42.77,32,2,3,UXQDWARBDDDTKG-FXDBZKHDSA-O,C16H29N2O2+,O=C(NC12CC3CC(C2)CC(C1)C3)COCC[NH+](C)C,"InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1/t12-,13+,14-,16-",-6.026,-4.6195,-4.6157,-4.5488,-4.3348,-3.8295,1.6205,1.6913,1.7909,1.8144,2.6027,D07199_D06BB02,00020000000002000100040000020000010000100000000000000000000400201c001000000000121006041000000000010200000020000200000080000000100800081008100800000000000280000000c001400000200080000000000000000000002000000000000000008000000000040080000010000010000100000000,0500000030e001,0680400204000000000080000a0000000000000000000000000000000000000000008000c02a04,00000000000001008202325c98f13ca21d225dff1d,0,0,50,1,0,7,49,51,-11.955,-4.282,0,2.0,0.001238507,+,0.8434,-,0.8434,https://www.genome.jp/dbget-bin/www_bget?dr:D07199
2401,D07199, Tromantadine (INN), Cyclic amines,J05AC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)NC(=O)COCC[NH+](C)C,281.414,0.6234,80.9624,42.77,32,2,3,UXQDWARBDDDTKG-FXDBZKHDSA-O,C16H29N2O2+,O=C(NC12CC3CC(C2)CC(C1)C3)COCC[NH+](C)C,"InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1/t12-,13+,14-,16-",-6.0142,-4.6286,-4.6095,-4.5543,-4.332,-3.8544,1.6095,1.6688,1.7842,1.8054,2.5932,D07199_J05AC03,00020000000002000100040000020000010000100000000000000000000400201c001000000000121006041000000000010200000020000200000080000000100800081008100800000000000280000000c001400000200080000000000000000000002000000000000000008000000000040080000010000010000100000000,0500000030e001,0680400204000000000080000a0000000000000000000000000000000000000000008000c02a04,00000000000001008202325c98f13ca21d225dff1d,0,0,50,1,0,7,49,51,-11.955,-4.282,0,2.0,0.001238507,+,0.8434,-,0.8434,https://www.genome.jp/dbget-bin/www_bget?dr:D07199
2402,D08652, Tromantadine hydrochloride, Antivirals,D06BB02,DERMATOLOGICALS,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)NC(=O)COCC[NH+](C)C,281.414,0.6234,80.9624,42.77,32,2,3,UXQDWARBDDDTKG-FXDBZKHDSA-O,C16H29N2O2+,O=C(NC12CC3CC(C2)CC(C1)C3)COCC[NH+](C)C,"InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1/t12-,13+,14-,16-",-6.0226,-4.6217,-4.6087,-4.5535,-4.3447,-3.832,1.5885,1.8183,1.8196,1.9498,2.5912,D08652_D06BB02,00020000000002000100040000020000010000100000000000000000000400201c001000000000121006041000000000010200000020000200000080000000100800081008100800000000000280000000c001400000200080000000000000000000002000000000000000008000000000040080000010000010000100000000,0500000030e001,0680400204000000000080000a0000000000000000000000000000000000000000008000c02a04,00000000000001008202325c98f13ca21d225dff1d,0,0,50,1,0,7,49,51,-11.958,-4.279,0,0.0,0.0012388619999999999,+,0.8434,-,0.8434,https://www.genome.jp/dbget-bin/www_bget?dr:D08652
2403,D08652, Tromantadine hydrochloride, Cyclic amines,J05AC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)NC(=O)COCC[NH+](C)C,281.414,0.6234,80.9624,42.77,32,2,3,UXQDWARBDDDTKG-FXDBZKHDSA-O,C16H29N2O2+,O=C(NC12CC3CC(C2)CC(C1)C3)COCC[NH+](C)C,"InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)/p+1/t12-,13+,14-,16-",-6.0478,-4.6239,-4.613,-4.5372,-4.3515,-3.8395,1.599,1.6282,1.8092,1.8127,2.5763,D08652_J05AC03,00020000000002000100040000020000010000100000000000000000000400201c001000000000121006041000000000010200000020000200000080000000100800081008100800000000000280000000c001400000200080000000000000000000002000000000000000008000000000040080000010000010000100000000,0500000030e001,0680400204000000000080000a0000000000000000000000000000000000000000008000c02a04,00000000000001008202325c98f13ca21d225dff1d,0,0,50,1,0,7,49,51,-11.958,-4.279,0,0.0,0.0012388619999999999,+,0.8434,-,0.8434,https://www.genome.jp/dbget-bin/www_bget?dr:D08652
2404,D00222, Acyclovir (USP), Antivirals,D06BB03,DERMATOLOGICALS,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COCCO,226.213,-0.5364,56.6386,121.95,17,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.894,-7.7899,-7.6744,-6.752000000000001,-5.7139,-5.702999999999999,3.6753,3.7992,4.3165,4.3746,4.4463,D00222_D06BB03,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.081,-5.381,0,,6.78721e-06,+,1.1352,-,1.1352,https://www.genome.jp/dbget-bin/www_bget?dr:D00222
2405,D00222, Acyclovir (USP), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COCCO,226.213,-0.5364,56.6386,121.95,17,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.9026,-7.7933,-7.669,-6.7624,-5.7158,-5.6999,3.6797,3.8057,4.2918,4.388999999999999,4.4373,D00222_J05AB01,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.081,-5.381,0,,6.78721e-06,+,1.1352,-,1.1352,https://www.genome.jp/dbget-bin/www_bget?dr:D00222
2406,D00222, Acyclovir (USP), Antivirals,S01AD03,SENSORY ORGANS,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COCCO,226.213,-0.5364,56.6386,121.95,17,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.9018,-7.7922,-7.6647,-6.7583,-5.7055,-5.7013,3.6742,3.7881,4.3145,4.3949,4.4199,D00222_S01AD03,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.081,-5.381,0,,6.78721e-06,+,1.1352,-,1.1352,https://www.genome.jp/dbget-bin/www_bget?dr:D00222
2407,D02764, Acyclovir sodium (USAN), Antivirals,D06BB03,DERMATOLOGICALS,OCCOCn1c2c(nc1)c(=O)[nH]c([nH]2)N,226.213,-0.5364,56.6386,121.95,16,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.897,-7.7792,-7.6662,-6.7522,-5.7063,-5.7042,3.673,3.7751,4.3147,4.3733,4.4272,D02764_D06BB03,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.812000000000001,-11.165,0,0.0,9.023519999999999e-06,+,1.1324,-,1.1324,https://www.genome.jp/dbget-bin/www_bget?dr:D02764
2408,D02764, Acyclovir sodium (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB01,ANTIINFECTIVES FOR SYSTEMIC USE,OCCOCn1c2c(nc1)c(=O)[nH]c([nH]2)N,226.213,-0.5364,56.6386,121.95,16,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.8983,-7.7849,-7.6666,-6.7356,-5.7592,-5.7086,3.6761,3.7845,4.3262,4.3733,4.4263,D02764_J05AB01,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.812000000000001,-11.165,0,0.0,9.023519999999999e-06,+,1.1324,-,1.1324,https://www.genome.jp/dbget-bin/www_bget?dr:D02764
2409,D02764, Acyclovir sodium (USAN), Antivirals,S01AD03,SENSORY ORGANS,OCCOCn1c2c(nc1)c(=O)[nH]c([nH]2)N,226.213,-0.5364,56.6386,121.95,16,4,6,OKWUZDATRZKPAG-UHFFFAOYSA-N,C8H12N5O3,Nc1[nH]c2c(c(=O)[nH]1)ncn2COCCO,"InChI=1S/C8H12N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,11,14H,1-2,4H2,(H3,9,12,15)",-8.8942,-7.7939,-7.6766,-6.7441,-5.7512,-5.7052,3.6753,3.8004,4.3213,4.3837,4.4456,D02764_S01AD03,000200000140108011000400000200086000200000000000020000000060000018000008000000049406033000010000010000001008000000200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ece9b33b0e31d674e7f1d,0,0,33,1,0,4,33,34,-13.812000000000001,-11.165,0,0.0,9.023519999999999e-06,+,1.1324,-,1.1324,https://www.genome.jp/dbget-bin/www_bget?dr:D02764
2410,D05529, Podofilox (USAN), Antivirals,D06BB04,DERMATOLOGICALS,c1c(c(c(cc1[C@@H]1c2cc3c(cc2[C@@H]([C@@H]2[C@@H]1C(=O)OC2)O)OCO3)OC)OC)OC,414.405,2.4092,103.84700000000001,92.68,30,1,8,YJGVMLPVUAXIQN-XVVDYKMHSA-N,C22H22O8,COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",-4.4709,-2.9713,-2.9189,-2.2676,-2.0255,-2.0254,1.1591,1.2362,1.3253,1.4828,1.5518,D05529_D06BB04,00044100000000400a000200820200030000006000005200010200a0000c00401000420040400001200a000820070400010a020008205811040000020002820008902800250008010000202002c000040098004000001048400808010009200001000005001404430240004040102800000301000a0100200800004b41000500,0400002c70b005,04280200000080400000a000000000000000000000000000000000000000000000004600402805,0000000800000021800004931011816400dfb3d31e,0,12,43,1,0,4,52,56,-8.826,-0.055999999999999994,4,2.0,0.497014523,+,2.7631,-,2.7631,https://www.genome.jp/dbget-bin/www_bget?dr:D05529
2411,D00054, Inosine (JAN/INN), Antivirals,D06BB05,DERMATOLOGICALS,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0813,-4.8352,-4.7611,-4.5867,-4.5728,-4.402,2.6432,2.7430000000000003,3.2532,3.9562,4.3194,D00054_D06BB05,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.280999999999999,-5.92,4,,9.39639e-07,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D00054
2412,D00054, Inosine (JAN/INN), Other antiinfectives and antiseptics,G01AX02,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0797,-4.834,-4.7604,-4.5862,-4.569,-4.4031,2.6426,2.7466,3.2497,3.9564,4.3180000000000005,D00054_G01AX02,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.280999999999999,-5.92,4,,9.39639e-07,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D00054
2413,D00054, Inosine (JAN/INN), Other ophthalmologicals,S01XA10,SENSORY ORGANS,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0928,-4.8394,-4.7564,-4.5883,-4.5736,-4.3919,2.6434,2.7319999999999998,3.2632,3.9686,4.3219,D00054_S01XA10,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.280999999999999,-5.92,4,,9.39639e-07,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D00054
2414,D01995, Inosine pranobex (JAN), Antivirals,D06BB05,DERMATOLOGICALS,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0817,-4.8351,-4.7602,-4.5869,-4.5727,-4.4023,2.6427,2.7435,3.2528,3.9559,4.3197,D01995_D06BB05,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.267999999999999,-5.915,4,,4.14204e-06,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D01995
2415,D01995, Inosine pranobex (JAN), Other antiinfectives and antiseptics,G01AX02,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0818,-4.8355,-4.7612,-4.5867,-4.5729,-4.4026,2.6430000000000002,2.7437,3.2525,3.9573,4.3180000000000005,D01995_G01AX02,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.267999999999999,-5.915,4,,4.14204e-06,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D01995
2416,D01995, Inosine pranobex (JAN), Other antivirals,J05AX05,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0819,-4.8353,-4.7609,-4.5888,-4.5728,-4.4018,2.6422,2.7426,3.2537,3.9555,4.3196,D01995_J05AX05,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.267999999999999,-5.915,4,,4.14204e-06,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D01995
2417,D01995, Inosine pranobex (JAN), Other ophthalmologicals,S01XA10,SENSORY ORGANS,n1(c2c(nc1)c(=O)[nH]c[nH]2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,269.23400000000004,-2.0547,62.0578,136.39,19,5,7,XHSOTIRQRZLDAC-KQYNXXCUSA-N,C10H13N4O5,OCC1OC(C(C1O)O)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10-11,15-17H,1H2,(H,12,18)/t4-,6-,7-,10-/m1/s1",-5.0817,-4.8358,-4.761,-4.587,-4.5731,-4.4015,2.6430000000000002,2.7426,3.2532,3.9565,4.319,D01995_S01XA10,002a0000014018801100040000020008600020100000000002100000037401001800100a810000079406033020010000010200005008c00100200a001000003008801a00000018000021000302b0000d00b0014002002006a001020100028000002000200400000000800100c0003800100c0104000010000134400310000100,0400003c30a001,003800000001004203008000200000000000000000000000000000000000000000004437402804,000000082004302180d416cf1b3190c31c6fea7f1d,0,0,38,1,0,2,37,39,-13.267999999999999,-5.915,4,,4.14204e-06,-,1.4619,-,1.4619,https://www.genome.jp/dbget-bin/www_bget?dr:D01995
2418,D05407, Penciclovir (USAN/INN), Antivirals,D06BB06,DERMATOLOGICALS,c12c(ncn1CCC(CO)CO)c(=O)[nH]c([nH]2)N,254.266,-0.5119,66.3294,132.95,21,5,6,QTVQFMUCGMTNEO-UHFFFAOYSA-N,C10H16N5O3,OCC(CCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C10H16N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,14,16-17H,1-4H2,(H3,11,13,18)",-8.9089,-7.8016,-7.6505,-6.756,-5.7044,-5.7022,3.6758,3.785,4.3001,4.3886,4.4038,D05407_D06BB06,002a000001401800110004000000000800000010000000000000000000300100100000020100000100060330000100000102000050004001002000001000000008000800000000000020000002b0000d0030004002002006a00102000000000000200020040000000000000000001000000c0004000010000004000300000100,0400001c00a001,061800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300000d43ecf1b73b04315674e7f1d,0,0,39,1,0,5,39,40,-13.059000000000001,-5.3660000000000005,0,1.0,9.62027e-06,-,1.1329,-,1.1329,https://www.genome.jp/dbget-bin/www_bget?dr:D05407
2419,D05407, Penciclovir (USAN/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB13,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CCC(CO)CO)c(=O)[nH]c([nH]2)N,254.266,-0.5119,66.3294,132.95,21,5,6,QTVQFMUCGMTNEO-UHFFFAOYSA-N,C10H16N5O3,OCC(CCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C10H16N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,14,16-17H,1-4H2,(H3,11,13,18)",-8.898,-7.8109,-7.6562,-6.739,-5.76,-5.7054,3.6747,3.798,4.3162,4.3837,4.4111,D05407_J05AB13,002a000001401800110004000000000800000010000000000000000000300100100000020100000100060330000100000102000050004001002000001000000008000800000000000020000002b0000d0030004002002006a00102000000000000200020040000000000000000001000000c0004000010000004000300000100,0400001c00a001,061800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300000d43ecf1b73b04315674e7f1d,0,0,39,1,0,5,39,40,-13.059000000000001,-5.3660000000000005,0,1.0,9.62027e-06,-,1.1329,-,1.1329,https://www.genome.jp/dbget-bin/www_bget?dr:D05407
2420,D02124, Penciclovir sodium (USAN), Antivirals,D06BB06,DERMATOLOGICALS,c12c(ncn1CCC(CO)CO)c(=O)[nH]c([nH]2)N,254.266,-0.5119,66.3294,132.95,20,5,6,QTVQFMUCGMTNEO-UHFFFAOYSA-N,C10H16N5O3,OCC(CCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C10H16N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,14,16-17H,1-4H2,(H3,11,13,18)",-8.8916,-7.8323,-7.6684,-6.7352,-5.7671,-5.7048,3.6891,3.7904,4.3132,4.3889,4.412,D02124_D06BB06,002a000001401800110004000000000800000010000000000000000000300100100000020100000100060330000100000102000050004001002000001000000008000800000000000020000002b0000d0030004002002006a00102000000000000200020040000000000000000001000000c0004000010000004000300000100,0400001c00a001,061800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300000d43ecf1b73b04315674e7f1d,0,0,39,1,0,5,39,40,-5.317,-3.3339999999999996,1,1.0,1.00536e-05,-,1.1059999999999999,-,1.1059999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D02124
2421,D02124, Penciclovir sodium (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB13,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CCC(CO)CO)c(=O)[nH]c([nH]2)N,254.266,-0.5119,66.3294,132.95,20,5,6,QTVQFMUCGMTNEO-UHFFFAOYSA-N,C10H16N5O3,OCC(CCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C10H16N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,14,16-17H,1-4H2,(H3,11,13,18)",-8.8877,-7.7303,-7.6348,-6.7975,-5.7045,-5.6982,3.6548,3.7574,4.2613,4.3837,4.4362,D02124_J05AB13,002a000001401800110004000000000800000010000000000000000000300100100000020100000100060330000100000102000050004001002000001000000008000800000000000020000002b0000d0030004002002006a00102000000000000200020040000000000000000001000000c0004000010000004000300000100,0400001c00a001,061800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300000d43ecf1b73b04315674e7f1d,0,0,39,1,0,5,39,40,-5.317,-3.3339999999999996,1,1.0,1.00536e-05,-,1.1059999999999999,-,1.1059999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D02124
2422,D07200, Ibacitabine (INN), Antivirals,D06BB08,DERMATOLOGICALS,C1[C@@H](O[C@@H]([C@H]1O)CO)n1c(=O)[nH]c(c(c1)I)N,354.12199999999996,-0.1338,68.3657,113.5,18,4,6,UXVXSLNRXKKZKC-RRKCRQDMSA-N,C9H13IN3O4,OCC1OC(CC1O)n1cc(I)c([nH]c1=O)N,"InChI=1S/C9H13IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,12,14-15H,1,3,11H2/t5-,6+,7+/m0/s1",-5.6069,-5.3367,-5.0475,-5.034,-4.7538,-4.6183,2.3575,2.388,2.5722,2.6793,2.9774,D07200_D06BB08,002a000001003880110004000402000060002010000000000210000003040100380010088000000594041f1020010000010200004008c00100000a00000000000e801a000000080000010003029000010080014000402002a00100810002000000200020040002004080000040001800100c0100000010000134400100002000,0000003c30a041,023c00000000000003000000000000000040040000000000000000000000000000000437402804,000000043004102180945e8f8b7690c33d6fea7f1d,0,0,33,1,0,2,33,34,-13.8,-5.497999999999999,3,0.0,1.64485e-05,+,0.3928,-,0.3928,https://www.genome.jp/dbget-bin/www_bget?dr:D07200
2423,D03956, Edoxudine (USAN/INN), Antivirals,D06BB09,DERMATOLOGICALS,[C@@H]1(C[C@@H](O[C@@H]1CO)n1c(=O)[nH]c(=O)c(c1)CC)O,256.255,-1.2603,62.8803,104.55,21,3,6,XACKNLSZYYIACO-DJLDLDEBSA-N,C11H16N2O5,OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,"InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1",-4.6201,-4.1308,-3.5625,-3.3486,-3.2339,-3.176,1.7737,1.7904,1.8092,1.9285,2.3597,D03956_D06BB09,800000000400284000004601004200006000041000020020020000c00004041014043008410080251000001020000884011000400010c00900800082000020000c801c008010a8001001c80300900000008001400c00002cb0008881000140060000000000240000404100006200180018060182001000000020400102000008,0000003c30b001,033800000000000000008000200000004042040000008d00000000000000000000000641403804,00000000100010218194168f837293c39dedeaff1f,0,6,27,2,0,3,34,35,-9.717,-0.113,3,1.0,0.013402317,-,0.7329,-,0.7329,https://www.genome.jp/dbget-bin/www_bget?dr:D03956
2424,D02500, Imiquimod (JAN/USAN/INN), Antivirals,D06BB10,DERMATOLOGICALS,c12c(ncn1CC(C)C)c(nc1c2cccc1)N,240.304,3.4039,75.1214,56.73,19,1,4,DOUYETYNHWVLEO-UHFFFAOYSA-N,C14H16N4,CC(Cn1cnc2c1c1ccccc1nc2N)C,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",-5.1268,-5.1096,-3.8182,-2.7128,-2.0651,-1.4692,1.1777,1.1866,1.3294,1.3636,2.4271,D02500_D06BB10,c004000000000c4000004600080000000000000080800000000000800000000010002080410880217880001c000000c0000020800000600000000000000000080c000c00c0000c000000c00000180000008001400c800001c0080000000140000000000000a0000000c0000040000c002006080000400800000080000a000000,0000000000b021,050000080000000000000000000000010000000000009800000000000000000000004600403800,000000002000000001d61c801a018403502159ad17,0,15,21,0,0,2,34,36,-8.283999999999999,-0.059000000000000004,0,1.0,0.100291021,+,0.7533,-,0.7533,https://www.genome.jp/dbget-bin/www_bget?dr:D02500
2425,D03884, Docosanol (USAN), Antivirals,D06BB11,DERMATOLOGICALS,CCCCCCCCCCCCCCCCCCCCCCO,326.6,7.8006,109.03,20.23,47,1,1,NOPFSRXAKWQILS-UHFFFAOYSA-N,C22H46O,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",-1.9101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D03884_D06BB11,0000000000000200000000000000000000000000000000000000000000000000100000000000000100000000000000000100000000204000000000000000000008000800000000000000800000000000000000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000000,0000001c00a000,031800000000000000000000000000000000000000000000000000000000000000000000402000,00000000000000000000020680182e800904049508,0,0,68,0,0,20,69,68,-10.815999999999999,3.2710000000000004,0,1.0,,-,6.1137,-,6.1137,https://www.genome.jp/dbget-bin/www_bget?dr:D03884
2426,D09393, Ingenol mebutate (USAN), Other chemotherapeutics,D06BX02,DERMATOLOGICALS,[C@@]123[C@]([C@@H](C(=C[C@H]([C@H]4[C@@H](C[C@H]1C)C4(C)C)C3=O)CO)O)([C@H](C(=C2)C)OC(=O)/C(=C\C)/C)O,430.534,2.3323,116.899,104.06,40,3,6,VDJHFHXMUKFKET-UXMMOKKRSA-N,C25H34O6,CC=C(C(=O)OC1C(=CC23C1(O)C(O)C(=CC(C3=O)C1C(CC2C)C1(C)C)CO)C)C,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1",-4.7173,-3.2429,-2.9684,-2.8893,-2.8284,-2.377,1.5838,1.7189,1.7842,2.0657,2.4995,D09393_D06BX02,10008000000002240a00000002020000201000800042400000042000801420001000000800800005000a000020000000012000001020412100010000000082000890080004040000000080030880021c009000400002004008801001400000010204002840000002000800004000380000030180000d80020000008140000500,1400007c30a005,1f7800000001010000009000000000000001000000000000000000000000000000006040407805,0000240000003200820a028714990c64845cb2d718,0,0,63,5,0,4,65,68,-9.679,-0.013000000000000001,8,0.0,0.215976059,+,6.5136,-,6.5136,https://www.genome.jp/dbget-bin/www_bget?dr:D09393
2427,D00407, Methylprednisolone (JP17/USP/INN)," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C)C,374.471,1.8036,101.867,94.83,35,3,5,VHRSUDSXCMQTMA-PJHHCJLFSA-N,C22H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-3.6215,-2.978,-2.354,-2.3406,-1.9344,-1.797,1.3415,1.4116,1.4383,1.5665,1.6575,D00407_D07AA01,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d5cb7d71c,0,0,56,4,0,2,57,60,-10.362,-0.637,8,1.0,0.11756172,-,2.006,-,2.006,https://www.genome.jp/dbget-bin/www_bget?dr:D00407
2428,D00407, Methylprednisolone (JP17/USP/INN)," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C)C,374.471,1.8036,101.867,94.83,35,3,5,VHRSUDSXCMQTMA-PJHHCJLFSA-N,C22H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-3.6338,-2.9778,-2.3526,-2.3339,-1.9213,-1.8153,1.1547,1.4197,1.4457,1.5579,1.7715,D00407_D10AA02,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d5cb7d71c,0,0,56,4,0,2,57,60,-10.362,-0.637,8,1.0,0.11756172,-,2.006,-,2.006,https://www.genome.jp/dbget-bin/www_bget?dr:D00407
2429,D00407, Methylprednisolone (JP17/USP/INN), Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)CO)O)C)O)C)C,374.471,1.8036,101.867,94.83,35,3,5,VHRSUDSXCMQTMA-PJHHCJLFSA-N,C22H30O5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-3.6149,-2.9781,-2.3515,-2.3383,-1.9345,-1.7993,1.3386,1.4087,1.4362,1.5585,1.5993,D00407_H02AB04,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204103000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002000012008208028794992cc08d5cb7d71c,0,0,56,4,0,2,57,60,-10.362,-0.637,8,1.0,0.11756172,-,2.006,-,2.006,https://www.genome.jp/dbget-bin/www_bget?dr:D00407
2430,D00751, Methylprednisolone sodium succinate (JA," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.5857,-4.4736,-4.4292,-3.6263,-2.9915,-2.9784,1.5375,1.5435,1.6257,2.1504,2.3722,D00751_D07AA01,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,,0.0015748729999999999,-,3.2693,-,3.2693,https://www.genome.jp/dbget-bin/www_bget?dr:D00751
2431,D00751, Methylprednisolone sodium succinate (JA," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.588,-4.4765,-4.4223,-3.6301,-2.9956,-2.9763,1.5414,1.5584,2.0374,2.0966,2.3794,D00751_D10AA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,,0.0015748729999999999,-,3.2693,-,3.2693,https://www.genome.jp/dbget-bin/www_bget?dr:D00751
2432,D00751, Methylprednisolone sodium succinate (JA, Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.5908,-4.4155,-4.4149,-3.6298,-2.9981,-2.9803,1.5419999999999998,1.5683,1.5689,1.6442,2.3872,D00751_H02AB04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,,0.0015748729999999999,-,3.2693,-,3.2693,https://www.genome.jp/dbget-bin/www_bget?dr:D00751
2433,D00979, Methylprednisolone acetate (JAN/USP)," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C)C,416.50699999999995,2.3744,111.605,100.9,38,2,6,PLBHSZGDDKCEHR-LFYFAGGJSA-N,C24H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1",-4.4499,-3.6301,-2.9946,-2.977,-2.3446,-1.9359,1.4148,1.4265,1.4434,1.5383,1.5506,D00979_D07AA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,5,0,4,62,65,-10.189,-0.402,8,2.0,0.20112575600000002,-,2.5748,-,2.5748,https://www.genome.jp/dbget-bin/www_bget?dr:D00979
2434,D00979, Methylprednisolone acetate (JAN/USP)," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C)C,416.50699999999995,2.3744,111.605,100.9,38,2,6,PLBHSZGDDKCEHR-LFYFAGGJSA-N,C24H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1",-4.4002,-3.6301,-2.9968,-2.9785,-2.3434,-1.9348,1.4055,1.4134,1.4351,1.4395,1.5339,D00979_D10AA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,5,0,4,62,65,-10.189,-0.402,8,2.0,0.20112575600000002,-,2.5748,-,2.5748,https://www.genome.jp/dbget-bin/www_bget?dr:D00979
2435,D00979, Methylprednisolone acetate (JAN/USP), Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)C)O)C)O)C)C,416.50699999999995,2.3744,111.605,100.9,38,2,6,PLBHSZGDDKCEHR-LFYFAGGJSA-N,C24H32O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1",-4.4505,-3.6303,-2.9952,-2.9804,-2.3428,-1.9342,1.3763,1.3812,1.4079,1.4378,1.5395,D00979_H02AB04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008102000100,1400006c30a005,1f6800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,60,5,0,4,62,65,-10.189,-0.402,8,2.0,0.20112575600000002,-,2.5748,-,2.5748,https://www.genome.jp/dbget-bin/www_bget?dr:D00979
2436,D05000, Methylprednisolone hemisuccinate (USP)," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.5501,-4.4699,-4.4432,-3.6334,-3.0036,-2.9806,1.5526,1.6716,2.0913,2.2002,2.3683,D05000_D07AA01,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,-1.0,0.0015748729999999999,-,3.2859,-,3.2859,https://www.genome.jp/dbget-bin/www_bget?dr:D05000
2437,D05000, Methylprednisolone hemisuccinate (USP)," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.5629,-4.4408,-4.425,-3.6325,-2.9845,-2.9767,1.535,1.5754,1.7167,2.0624,2.3673,D05000_D10AA02,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,-1.0,0.0015748729999999999,-,3.2859,-,3.2859,https://www.genome.jp/dbget-bin/www_bget?dr:D05000
2438,D05000, Methylprednisolone hemisuccinate (USP), Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)C)O)C)C,474.543,2.2193,122.99,138.2,41,3,8,IMBXEJJVJRTNOW-XYMSELFBSA-N,C26H34O8,OC(=O)CCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",-4.5999,-4.4287,-4.4067,-3.636,-2.9897,-2.9782,1.5503,1.6277,2.053,2.0998,2.3921,D05000_H02AB04,00000002000002240a00000102020000000000800040400000000000000420001408000000800001800a000021000000012002000020411300010080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000500,1400006c30a007,1f6800000000010000009800000000000001000000000000000000000000000000004040437805,00000002000002008208008794992ce48d5cb7d71c,0,0,65,6,0,7,68,71,-4.74,0.659,8,-1.0,0.0015748729999999999,-,3.2859,-,3.2859,https://www.genome.jp/dbget-bin/www_bget?dr:D05000
2439,D05001, Methylprednisolone sodium phosphate (US," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C)C,454.45099999999996,1.9206,112.77799999999999,151.17,37,4,8,PWTIEVRZANUUHG-PJHHCJLFSA-N,C22H31O8P,O=C1C=CC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-10.5333,-10.5137,-10.2626,-7.5208,-3.6121,-2.9785,2.8986,3.0049,3.0275,3.4649,5.0798,D05001_D07AA01,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f5cbfd71c,0,0,60,5,0,4,62,65,-0.06,2.283,8,1.0,2.9546299999999995e-14,-,2.4348,-,2.4348,https://www.genome.jp/dbget-bin/www_bget?dr:D05001
2440,D05001, Methylprednisolone sodium phosphate (US," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C)C,454.45099999999996,1.9206,112.77799999999999,151.17,37,4,8,PWTIEVRZANUUHG-PJHHCJLFSA-N,C22H31O8P,O=C1C=CC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-10.5463,-10.5199,-10.2705,-7.5151,-3.6461,-3.3868,2.8802,3.0093,3.01,3.4884,5.0424,D05001_D10AA02,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f5cbfd71c,0,0,60,5,0,4,62,65,-0.06,2.283,8,1.0,2.9546299999999995e-14,-,2.4348,-,2.4348,https://www.genome.jp/dbget-bin/www_bget?dr:D05001
2441,D05001, Methylprednisolone sodium phosphate (US, Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C)O)C)C,454.45099999999996,1.9206,112.77799999999999,151.17,37,4,8,PWTIEVRZANUUHG-PJHHCJLFSA-N,C22H31O8P,O=C1C=CC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2(O)C(=O)COP(=O)(O)O)C)C,"InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",-10.5385,-10.5224,-10.2745,-7.5246,-3.79,-3.5705,2.998,3.0116,3.0503,3.5243,5.1048,D05001_H02AB04,00800000000042251402000100000000000001800040400200000000000020001008000000800001800a00040100000003300200002041030000000020000200080208000004000020008280288082040050004000000000000010000000000102040002804000000000000004002800000a0800000100000000008102000100,1400006c00a001,1f6800000000010000000000000000000001000000000000000000000010200000004040437804,000000120084020092080087b49b2ce88f5cbfd71c,0,0,60,5,0,4,62,65,-0.06,2.283,8,1.0,2.9546299999999995e-14,-,2.4348,-,2.4348,https://www.genome.jp/dbget-bin/www_bget?dr:D05001
2442,D05002, Methylprednisolone suleptanate (USAN/IN," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCCCCCC(=O)N(CCS(=O)(=O)O)C)O)C)O)C)C,651.808,4.1221,168.49900000000002,183.96,59,3,11,PSCNNGGPKIBAHB-WFVOKNHCSA-N,C33H49NO10S,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)CCCCCCC(=O)N(CCS(=O)(=O)O)C,"InChI=1S/C33H49NO10S/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43)/t21-,23-,24-,26-,30+,31-,32-,33-/m0/s1",-8.9422,-8.7778,-8.5478,-4.8021,-4.1842,-3.7996,2.3491,2.4813,2.6457,2.9412,3.3523,D05002_D07AA01,20020102000002240b80040100020000000000900040400000000000000420001c08180400800001900e0010210000000123020000204103100001800000820008100808000400c0020484002a80120440d001400020200080001203000002010206002280000000000000004000280000075900000110000000008542000100,1400006c30a005,1f6800000000010000009000120000000001000000000000000022000000000000004040437805,00000002c080461a9609b09fbdfb3cee8f5ebfff1d,0,0,89,8,0,15,94,97,-6.704,0.096,8,1.0,0.000452231,-,5.2578,-,5.2578,https://www.genome.jp/dbget-bin/www_bget?dr:D05002
2443,D05002, Methylprednisolone suleptanate (USAN/IN," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCCCCCC(=O)N(CCS(=O)(=O)O)C)O)C)O)C)C,651.808,4.1221,168.49900000000002,183.96,59,3,11,PSCNNGGPKIBAHB-WFVOKNHCSA-N,C33H49NO10S,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)CCCCCCC(=O)N(CCS(=O)(=O)O)C,"InChI=1S/C33H49NO10S/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43)/t21-,23-,24-,26-,30+,31-,32-,33-/m0/s1",-9.0135,-8.8042,-8.4144,-4.4257,-3.8831,-3.7876,2.2961,2.3524,2.3907,2.5675,2.6265,D05002_D10AA02,20020102000002240b80040100020000000000900040400000000000000420001c08180400800001900e0010210000000123020000204103100001800000820008100808000400c0020484002a80120440d001400020200080001203000002010206002280000000000000004000280000075900000110000000008542000100,1400006c30a005,1f6800000000010000009000120000000001000000000000000022000000000000004040437805,00000002c080461a9609b09fbdfb3cee8f5ebfff1d,0,0,89,8,0,15,94,97,-6.704,0.096,8,1.0,0.000452231,-,5.2578,-,5.2578,https://www.genome.jp/dbget-bin/www_bget?dr:D05002
2444,D05002, Methylprednisolone suleptanate (USAN/IN, Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CCCCCCC(=O)N(CCS(=O)(=O)O)C)O)C)O)C)C,651.808,4.1221,168.49900000000002,183.96,59,3,11,PSCNNGGPKIBAHB-WFVOKNHCSA-N,C33H49NO10S,O=C(OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)CCCCCCC(=O)N(CCS(=O)(=O)O)C,"InChI=1S/C33H49NO10S/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43)/t21-,23-,24-,26-,30+,31-,32-,33-/m0/s1",-9.093,-8.7589,-8.3775,-4.4273,-3.9068,-3.8776,2.3783,2.4185,2.5818,2.6095,2.6254,D05002_H02AB04,20020102000002240b80040100020000000000900040400000000000000420001c08180400800001900e0010210000000123020000204103100001800000820008100808000400c0020484002a80120440d001400020200080001203000002010206002280000000000000004000280000075900000110000000008542000100,1400006c30a005,1f6800000000010000009000120000000001000000000000000022000000000000004040437805,00000002c080461a9609b09fbdfb3cee8f5ebfff1d,0,0,89,8,0,15,94,97,-6.704,0.096,8,1.0,0.000452231,-,5.2578,-,5.2578,https://www.genome.jp/dbget-bin/www_bget?dr:D05002
2445,D07203, Methylprednisolone aceponate (INN)," Corticosteroids, weak (group I)",D07AA01,DERMATOLOGICALS,[C@@]12([C@@H](CC[C@@]1(C(=O)COC(=O)C)OC(=O)CC)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)[C@H](C1)C)C)C,472.57099999999997,3.3353,126.149,106.97,43,1,7,DALKLAYLIPSCQL-YPYQNWSCSA-N,C27H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)C(=O)COC(=O)C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",-4.3936,-4.3785,-3.6269,-3.0181,-3.008,-2.9752,1.3811,1.4129,1.4217,1.4371,1.5339,D07203_D07AA01,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,67,6,0,7,70,73,-10.302,-0.596,8,0.0,0.378315836,+,3.3894,-,3.3894,https://www.genome.jp/dbget-bin/www_bget?dr:D07203
2446,D07203, Methylprednisolone aceponate (INN)," Corticosteroids, potent (group III)",D07AC14,DERMATOLOGICALS,[C@@]12([C@@H](CC[C@@]1(C(=O)COC(=O)C)OC(=O)CC)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)[C@H](C1)C)C)C,472.57099999999997,3.3353,126.149,106.97,43,1,7,DALKLAYLIPSCQL-YPYQNWSCSA-N,C27H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)C(=O)COC(=O)C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",-4.4134,-4.4066,-3.6302,-3.0074,-2.9981,-2.9761,1.4001,1.4059,1.4326,1.4333,1.5392,D07203_D07AC14,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,67,6,0,7,70,73,-10.302,-0.596,8,0.0,0.378315836,+,3.3894,-,3.3894,https://www.genome.jp/dbget-bin/www_bget?dr:D07203
2447,D07203, Methylprednisolone aceponate (INN)," Corticosteroids, combinations for treatment of acne",D10AA02,DERMATOLOGICALS,[C@@]12([C@@H](CC[C@@]1(C(=O)COC(=O)C)OC(=O)CC)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)[C@H](C1)C)C)C,472.57099999999997,3.3353,126.149,106.97,43,1,7,DALKLAYLIPSCQL-YPYQNWSCSA-N,C27H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)C(=O)COC(=O)C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",-4.4498,-4.4308,-3.6266,-3.0089,-2.9736,-2.9553,1.4078,1.4112,1.4291,1.4439,1.5151,D07203_D10AA02,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,67,6,0,7,70,73,-10.302,-0.596,8,0.0,0.378315836,+,3.3894,-,3.3894,https://www.genome.jp/dbget-bin/www_bget?dr:D07203
2448,D07203, Methylprednisolone aceponate (INN), Glucocorticoids,H02AB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@@H](CC[C@@]1(C(=O)COC(=O)C)OC(=O)CC)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)[C@H](C1)C)C)C,472.57099999999997,3.3353,126.149,106.97,43,1,7,DALKLAYLIPSCQL-YPYQNWSCSA-N,C27H36O7,CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C)C(=O)COC(=O)C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",-4.4363,-4.4024,-3.6266,-3.0254,-3.0045,-2.9718,1.4152,1.4353,1.4384,1.4480000000000002,1.5402,D07203_H02AB04,00000002000002240a00000100020000000000800040400000000000000420001408000000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400000000000001001000000010204000280000000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004040437805,00000002000002008208008594992ee4895cb7d71c,0,0,67,6,0,7,70,73,-10.302,-0.596,8,0.0,0.378315836,+,3.3894,-,3.3894,https://www.genome.jp/dbget-bin/www_bget?dr:D07203
2449,D07717, Clobetasone (INN)," Corticosteroids, moderately potent (group II)",D07AB01,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@](C(=O)C2)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(O)C(=O)CCl,408.89099999999996,3.3504,104.62899999999999,71.44,30,1,4,XXIFVOHLGBURIG-OZCCCYNHSA-N,C22H26ClFO4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1",-3.6249,-2.9924,-2.9784,-2.345,-1.7828,-1.4233,1.1934,1.4002,1.4074,1.4985,1.5544,D07717_D07AB01,000a820200000224000000830400000000000090204040000200000800002000100812000080000180030000010000000500020200204102000000000000000008000800000400000000800008800204005000400000000000001200000000010204000280000000000000000014180000100800000010000000400102000700,1400004c00a001,9f4900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086548d2cc0a95cb7d71c,1,0,52,5,0,2,54,57,-10.335,-0.614,7,-1.0,0.564205408,-,2.5403,-,2.5403,https://www.genome.jp/dbget-bin/www_bget?dr:D07717
2450,D07717, Clobetasone (INN)," Corticosteroids, plain",S01BA09,SENSORY ORGANS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@](C(=O)C2)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(O)C(=O)CCl,408.89099999999996,3.3504,104.62899999999999,71.44,30,1,4,XXIFVOHLGBURIG-OZCCCYNHSA-N,C22H26ClFO4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1",-3.6322,-2.992,-2.9796,-2.3449,-1.7967,-1.4232,1.1884,1.3434,1.4114,1.4976,1.5630000000000002,D07717_S01BA09,000a820200000224000000830400000000000090204040000200000800002000100812000080000180030000010000000500020200204102000000000000000008000800000400000000800008800204005000400000000000001200000000010204000280000000000000000014180000100800000010000000400102000700,1400004c00a001,9f4900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084086548d2cc0a95cb7d71c,1,0,52,5,0,2,54,57,-10.335,-0.614,7,-1.0,0.564205408,-,2.5403,-,2.5403,https://www.genome.jp/dbget-bin/www_bget?dr:D07717
2451,D01273, Clobetasone butyrate (JAN/USAN)," Corticosteroids, moderately potent (group II)",D07AB01,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@](C(=O)C2)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(OC(=O)CCC)C(=O)CCl,478.981,4.7014,123.98,77.51,37,0,5,FBRAWBYQGRLCEK-AVVSTMBFSA-N,C26H32ClFO5,CCCC(=O)OC1(C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CCl,"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1",-4.4183,-3.6288,-2.9994,-2.9852,-2.9813,-1.455,1.3968,1.4044,1.4227,1.4838,1.5317,D01273_D07AB01,000a8202000002240200008304020000000000902040400002000008000420001408120400800001800b000021000000050102020020410200010080000082000810080800040000000080000880020400d000400000000000001202000000010204000280000000000000000014180000130900000110000000400142000700,14000000302005,9f0100000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084080548d2ee4a958b7d71c,1,0,62,6,0,6,65,68,-10.34,-0.595,7,,0.8633553979999999,-,3.3381,-,3.3381,https://www.genome.jp/dbget-bin/www_bget?dr:D01273
2452,D01273, Clobetasone butyrate (JAN/USAN)," Corticosteroids, plain",S01BA09,SENSORY ORGANS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@](C(=O)C2)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(OC(=O)CCC)C(=O)CCl,478.981,4.7014,123.98,77.51,37,0,5,FBRAWBYQGRLCEK-AVVSTMBFSA-N,C26H32ClFO5,CCCC(=O)OC1(C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CCl,"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1",-4.4356,-3.6664,-3.0017,-2.9802,-2.9746,-1.429,1.2962,1.3566,1.3730000000000002,1.4914,1.5391,D01273_S01BA09,000a8202000002240200008304020000000000902040400002000008000420001408120400800001800b000021000000050102020020410200010080000082000810080800040000000080000880020400d000400000000000001202000000010204000280000000000000000014180000130900000110000000400142000700,14000000302005,9f0100000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084080548d2ee4a958b7d71c,1,0,62,6,0,6,65,68,-10.34,-0.595,7,,0.8633553979999999,-,3.3381,-,3.3381,https://www.genome.jp/dbget-bin/www_bget?dr:D01273
2453,D04208, Flumethasone (USAN)," Corticosteroids, moderately potent (group II)",D07AB03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)F)C,410.452,1.8437,102.007,94.83,33,3,5,WXURHACBFYSXBI-GQKYHHCASA-N,C22H28F2O5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6319,-2.9799,-2.351,-2.333,-1.9127,-1.8293,1.3657,1.422,1.4485,1.5721,1.7991,D04208_D07AB03,00020000000002240000001300000000000000b0204040002200000000002000100852000080000180020000010000000120020000204103000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d0cc0ad5cb3d71c,2,0,56,4,0,2,57,60,-10.505999999999998,-0.6970000000000001,9,0.0,0.185407937,-,2.4224,-,2.4224,https://www.genome.jp/dbget-bin/www_bget?dr:D04208
2454,D04208, Flumethasone (USAN)," Corticosteroids, moderately potent, other combinations",D07XB01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)F)C,410.452,1.8437,102.007,94.83,33,3,5,WXURHACBFYSXBI-GQKYHHCASA-N,C22H28F2O5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6419,-2.9625,-2.363,-2.3094,-1.9140000000000001,-1.8514,1.3626,1.4075,1.4285,1.4501,1.864,D04208_D07XB01,00020000000002240000001300000000000000b0204040002200000000002000100852000080000180020000010000000120020000204103000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d0cc0ad5cb3d71c,2,0,56,4,0,2,57,60,-10.505999999999998,-0.6970000000000001,9,0.0,0.185407937,-,2.4224,-,2.4224,https://www.genome.jp/dbget-bin/www_bget?dr:D04208
2455,D01464, Flumethasone pivalate (USP)," Corticosteroids, moderately potent (group II)",D07AB03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)C)O)F)F)C,494.56800000000004,3.4407,125.906,100.9,42,2,6,JWRMHDSINXPDHB-OJAGFMMFSA-N,C27H36F2O6,O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1",-4.3746,-3.6346,-3.0008,-2.9637,-2.312,-1.9126,1.3643,1.4167,1.4398,1.5391,1.5624,D01464_D07AB03,00020002000002240a00001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400100000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437804,0000000200020200820a4087949d0ce4ad5cb3d71c,2,0,69,5,0,5,71,74,-10.401,-0.573,9,,0.49555388100000003,-,3.8489999999999998,-,3.8489999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D01464
2456,D01464, Flumethasone pivalate (USP)," Corticosteroids, moderately potent, other combinations",D07XB01,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)C(C)(C)C)O)C)C)O)F)F)C,494.56800000000004,3.4407,125.906,100.9,42,2,6,JWRMHDSINXPDHB-OJAGFMMFSA-N,C27H36F2O6,O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1",-4.3618,-3.6188,-3.0298,-2.9765,-2.3334,-1.9259,1.3404,1.3625,1.3977,1.4242,1.5493,D01464_D07XB01,00020002000002240a00001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400100000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437804,0000000200020200820a4087949d0ce4ad5cb3d71c,2,0,69,5,0,5,71,74,-10.401,-0.573,9,,0.49555388100000003,-,3.8489999999999998,-,3.8489999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D01464
2457,D07972, Fluocortin (INN)," Corticosteroids, moderately potent (group II)",D07AB04,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)C(=O)O)C)C)O)F)C,390.445,2.7289999999999996,101.329,91.67,31,2,5,PUWHHWCHAVXSIG-NCLPIGKXSA-N,C22H27FO5,O=C1C=CC2(C(=C1)C(F)CC1C2C(O)CC2(C1CC(C2C(=O)C(=O)O)C)C)C,"InChI=1S/C22H27FO5/c1-10-6-13-12-8-15(23)14-7-11(24)4-5-21(14,2)18(12)16(25)9-22(13,3)17(10)19(26)20(27)28/h4-5,7,10,12-13,15-18,25H,6,8-9H2,1-3H3,(H,27,28)/t10-,12+,13+,15+,16+,17-,18-,21+,22+/m1/s1",-5.0007,-4.8771,-3.6268,-3.4,-2.5185,-2.1172,1.3514,1.6269999999999998,2.0984,2.3384,2.7110000000000003,D07972_D07AB04,00020000000002240000000300000000000000b02040400020000000000020001008100000800001800a0000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000050204000280000000000000000014080000000800000010000000008102000100,1400002c00a003,1f2900000000010000008800000000000001000000000000000000000000000000004040437805,000000020002020082084084948d0cc4ad5cb3d21c,1,0,53,5,0,2,55,58,-4.756,0.977,9,1.0,0.00017810099999999998,-,2.679,-,2.679,https://www.genome.jp/dbget-bin/www_bget?dr:D07972
2458,D04217, Fluocortin butyl (USAN)," Corticosteroids, moderately potent (group II)",D07AB04,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)C(=O)OCCCC)C)C)O)F)C,446.55199999999996,3.9877,120.07,80.67,40,1,5,XWTIDFOGTCVGQB-FHIVUSPVSA-N,C26H35FO5,CCCCOC(=O)C(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3/t14-,16+,17+,19+,20+,21-,22-,25+,26+/m1/s1",-4.8796,-3.6266,-3.4105,-3.3007,-2.5039,-1.9322,1.2377,1.244,1.271,1.4087,1.527,D04217_D07AB04,00020000000002240200000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000050204000280000000000000000014080000030900000110000000008142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,1,0,65,5,0,6,67,70,-10.372,-0.754,9,-1.0,0.55443579,-,2.7407,-,2.7407,https://www.genome.jp/dbget-bin/www_bget?dr:D04217
2459,D04225, Fluperolone acetate (USAN)," Corticosteroids, moderately potent (group II)",D07AB05,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1CC[C@]2(O)C(=O)[C@@H](OC(=O)C)C)C)O)F)C,434.49800000000005,2.609,111.694,100.9,37,2,6,HHPZZKDXAFJLOH-QZIXMDIESA-N,C24H31FO6,CC(=O)OC(C(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C,"InChI=1S/C24H31FO6/c1-13(31-14(2)26)20(29)23(30)10-8-17-18-6-5-15-11-16(27)7-9-21(15,3)24(18,25)19(28)12-22(17,23)4/h7,9,11,13,17-19,28,30H,5-6,8,10,12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.473,-3.6276,-2.9932,-2.9737,-2.3353,-1.9251,1.3989,1.4101,1.4138,1.4295,1.5419999999999998,D04225_D07AB05,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002000020410300000080000082000810080000040000000080002880020400d000400000000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087948d2ce4ad5cb7d21c,1,0,60,5,0,4,62,65,-10.345,-0.628,8,,0.247294679,-,2.9269,-,2.9269,https://www.genome.jp/dbget-bin/www_bget?dr:D04225
2460,D07201, Fluprednidene (INN)," Corticosteroids, moderately potent (group II)",D07AB07,DERMATOLOGICALS,[C@@]12([C@@H](CC(=C)[C@@]1(C(=O)CO)O)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C,390.445,1.8158,101.48200000000001,94.83,32,3,5,YVHXHNGGPURVOS-SBTDHBFYSA-N,C22H27FO5,OCC(=O)C1(O)C(=C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6383,-3.2737,-2.9665,-2.3508,-1.9255,-1.8243,1.3730000000000002,1.4167,1.4404,1.992,2.0140000000000002,D07201_D07AB07,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020010204103000000000000000008000800000400000000800028800204005000400000000008001000400000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020202120082084287949d2cc0ad4cb7d71c,1,0,53,5,0,2,55,58,-10.321,-0.6459999999999999,7,1.0,0.16755351400000001,-,2.4775,-,2.4775,https://www.genome.jp/dbget-bin/www_bget?dr:D07201
2461,D07201, Fluprednidene (INN)," Corticosteroids, moderately potent, other combinations",D07XB03,DERMATOLOGICALS,[C@@]12([C@@H](CC(=C)[C@@]1(C(=O)CO)O)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C,390.445,1.8158,101.48200000000001,94.83,32,3,5,YVHXHNGGPURVOS-SBTDHBFYSA-N,C22H27FO5,OCC(=O)C1(O)C(=C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6239999999999997,-3.2704,-2.9657,-2.347,-1.9254,-1.8324,1.3927,1.4159,1.439,1.9924,2.0677,D07201_D07XB03,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020010204103000000000000000008000800000400000000800028800204005000400000000008001000400000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020202120082084287949d2cc0ad4cb7d71c,1,0,53,5,0,2,55,58,-10.321,-0.6459999999999999,7,1.0,0.16755351400000001,-,2.4775,-,2.4775,https://www.genome.jp/dbget-bin/www_bget?dr:D07201
2462,D07980, Fluprednidene acetate," Corticosteroids, moderately potent (group II)",D07AB07,DERMATOLOGICALS,[C@@]12([C@@H](CC(=C)[C@@]1(C(=O)COC(=O)C)O)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C,432.48199999999997,2.3866,111.22,100.9,35,2,6,DEFOZIFYUBUHHU-IYQKUMFPSA-N,C24H29FO6,CC(=O)OCC(=O)C1(O)C(=C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4214,-3.6281,-3.2909,-2.9975,-2.97,-1.9242,1.3965,1.4059,1.4280000000000002,1.5385,1.8694,D07980_D07AB07,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002001020410300000080000082000810080000040000000080002880020400d000400000000008001001400000010204000280000000000000004014280000130980000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020202020082084087949d2ce4ad5cb7d71c,1,0,57,6,0,4,60,63,-10.168,-0.402,7,-1.0,0.276394337,-,3.0565,-,3.0565,https://www.genome.jp/dbget-bin/www_bget?dr:D07980
2463,D07980, Fluprednidene acetate," Corticosteroids, moderately potent, other combinations",D07XB03,DERMATOLOGICALS,[C@@]12([C@@H](CC(=C)[C@@]1(C(=O)COC(=O)C)O)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C,432.48199999999997,2.3866,111.22,100.9,35,2,6,DEFOZIFYUBUHHU-IYQKUMFPSA-N,C24H29FO6,CC(=O)OCC(=O)C1(O)C(=C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1",-4.4517,-3.6282,-3.2997,-2.9978,-2.9709,-1.9243,1.39,1.4229,1.4247,1.5387,1.9713,D07980_D07XB03,00020002000002240a00000300020000000000902040400002000000000420001408520000800001800a000021000000012002001020410300000080000082000810080000040000000080002880020400d000400000000008001001400000010204000280000000000000004014280000130980000110000000408102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020202020082084087949d2ce4ad5cb7d71c,1,0,57,6,0,4,60,63,-10.168,-0.402,7,-1.0,0.276394337,-,3.0565,-,3.0565,https://www.genome.jp/dbget-bin/www_bget?dr:D07980
2464,D03696, Desonide (USAN/INN)," Corticosteroids, moderately potent (group II)",D07AB08,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)CO)C)O)C,416.50699999999995,2.3267,110.414,93.06,38,2,6,WBGKWQHBNHJJPZ-LECWWXJVSA-N,C24H32O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)(C)C,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",-3.6408,-3.0952,-3.0784,-2.9789,-2.3652,-1.9351,1.4085,1.4338,1.456,1.7205,1.7336,D03696_D07AB08,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008102000100,1400043c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820a06859499acc48d5db7d71c,0,0,62,4,0,2,62,66,-10.262,-0.489,8,1.0,0.19951999199999998,-,2.9789999999999996,-,2.9789999999999996,https://www.genome.jp/dbget-bin/www_bget?dr:D03696
2465,D03696, Desonide (USAN/INN)," Corticosteroids, plain",S01BA11,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)CO)C)O)C,416.50699999999995,2.3267,110.414,93.06,38,2,6,WBGKWQHBNHJJPZ-LECWWXJVSA-N,C24H32O6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)(C)C,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",-3.6475,-3.1747,-3.1451,-2.9733,-2.3552,-1.9216,1.3311,1.357,1.4189,1.4456,1.8142,D03696_S01BA11,000000000000a2240000000100020000200000a4004040000000000000042000140800080080000580020000210000000120020000a0411300000080000080000810280000040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000010900000000000000008102000100,1400043c30a001,1f3800000000814000000000000000000001000000000000000000000000000000004440437804,0000000200000201820a06859499acc48d5db7d71c,0,0,62,4,0,2,62,66,-10.262,-0.489,8,1.0,0.19951999199999998,-,2.9789999999999996,-,2.9789999999999996,https://www.genome.jp/dbget-bin/www_bget?dr:D03696
2466,D07116, Alclometasone (INN)," Corticosteroids, moderately potent (group II)",D07AB10,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)C[C@H]([C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)CO)C)C)O)Cl)C,408.916,2.0209,106.663,94.83,34,3,5,FJXOGVLKCZQRDN-PHCHRAKRSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",-3.6188,-2.9632,-2.3474,-2.3232,-1.9336,-1.8319,1.3382,1.3840000000000001,1.4092,1.4391,2.0799,D07116_D07AB10,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000780000000800000000000000008102000300,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d0cc0ad5cb3d71c,0,0,56,4,0,2,57,60,-10.466,-0.72,9,-3.0,0.225285172,-,2.0953,-,2.0953,https://www.genome.jp/dbget-bin/www_bget?dr:D07116
2467,D07116, Alclometasone (INN)," Corticosteroids, plain",S01BA10,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)C[C@H]([C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)CO)C)C)O)Cl)C,408.916,2.0209,106.663,94.83,34,3,5,FJXOGVLKCZQRDN-PHCHRAKRSA-N,C22H29ClO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",-3.6183,-2.969,-2.3538,-2.3295,-1.9335,-1.8157,1.3341,1.3637,1.4024,1.4303,2.0364,D07116_S01BA10,0028820000000224000000010000800008000080004040000000000800002000100800000080000180030080010000000120020000204103002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000780000000800000000000000008102000300,1400007c00a001,9f7800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000120082084287d49d0cc0ad5cb3d71c,0,0,56,4,0,2,57,60,-10.466,-0.72,9,-3.0,0.225285172,-,2.0953,-,2.0953,https://www.genome.jp/dbget-bin/www_bget?dr:D07116
2468,D01820, Alclometasone dipropionate (JAN/USP)," Corticosteroids, moderately potent (group II)",D07AB10,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)C[C@H]([C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)Cl)C,521.0419999999999,3.9427,135.752,106.97,44,1,7,DJHCCTTVDRAMEH-DUUJBDRPSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1",-4.4314,-4.24,-3.6281,-3.0581,-2.9853,-2.9703,1.3695,1.3965,1.3972,1.4251,1.5168,D01820_D07AB10,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000780000030900000100000000008142000300,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084081d49d0ee4a95cb3d71c,0,0,70,6,0,8,73,76,-10.594000000000001,-0.898,9,,0.604440451,-,3.4928,-,3.4928,https://www.genome.jp/dbget-bin/www_bget?dr:D01820
2469,D01820, Alclometasone dipropionate (JAN/USP)," Corticosteroids, plain",S01BA10,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)C[C@H]([C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)Cl)C,521.0419999999999,3.9427,135.752,106.97,44,1,7,DJHCCTTVDRAMEH-DUUJBDRPSA-N,C28H37ClO7,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,"InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28+/m1/s1",-4.4245,-4.4153,-3.6281,-3.0268,-2.9965,-2.9752,1.3987,1.4452,1.5141,1.536,1.5408,D01820_S01BA10,00288202000002240a00000100028000080000800040400000000008000420001408000000800001800b009021000000012002000020411300200080000082000810080800040000000080002880020400d000400004000000001001000000010204000280000000000000004000780000030900000100000000008142000300,1400002c30a005,9f2800000000010000009000000000000001000000000000000000000000000000004040437805,000000020000020082084081d49d0ee4a95cb3d71c,0,0,70,6,0,8,73,76,-10.594000000000001,-0.898,9,,0.604440451,-,3.4928,-,3.4928,https://www.genome.jp/dbget-bin/www_bget?dr:D01820
2470,D07719, Clocortolone (INN)," Corticosteroids, moderately potent (group II)",D07AB21,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)Cl)F)C,410.907,2.9981,105.553,74.6,32,2,4,YMTMADLUXIRMGX-RFPWEZLHSA-N,C22H28ClFO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)Cl,"InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",-3.6229,-2.9831,-2.3527,-1.9202,-1.7892,-1.7191,0.9703,1.0138,1.0595,1.0971,1.4386,D07719_D07AB21,000a8200000002240000000300008000080000b0204040002000000800002000100810000080000180030080010000000120020000204102002000000000000008000808000400000000800028800204005000400104000000001000000000010204000280000000000000000014980000000800000010000000008102000b00,1400003c00a001,9f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284d49d0cc0ad5cb3d71c,1,0,55,4,0,2,56,59,-10.542,-0.6579999999999999,9,0.0,0.383614391,-,2.327,-,2.327,https://www.genome.jp/dbget-bin/www_bget?dr:D07719
2471,D02287, Clocortolone pivalate (USP)," Corticosteroids, moderately potent (group II)",D07AB21,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)OCC(=O)C(C)(C)C)C)C)O)Cl)F)C,495.023,4.5951,129.451,80.67,41,1,5,TXWGIGHEOWQLRZ-ROLYQIAQSA-N,C27H36ClFO5,O=C1C=CC2(C(=C1)C(F)CC1C2(Cl)C(O)CC2(C1CC(C2C(=O)OCC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)20(31)12-25(16,5)22(14)23(33)34-13-21(32)24(2,3)4/h7-8,10,14,16-17,19-20,22,31H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,25+,26+,27+/m1/s1",-4.4545,-3.6348,-2.9930000000000003,-2.9742,-1.9134,-1.7169,1.2777,1.3041,1.3665,1.3778,1.4383,D02287_D07AB21,000a8202000002240200000300028000080000b02040400020000008000420001408100000800001800b008021000000012002000020410200200080000082000810080800040000000080022880020400d000400104000000001000000000010204000280000000000000000014980000030900000110000000008142000b00,1400002c30a005,9f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084d49d0ce4a95cb3d71c,1,0,68,5,0,5,70,73,-10.537,-0.64,9,,0.706125915,-,3.8169,-,3.8169,https://www.genome.jp/dbget-bin/www_bget?dr:D02287
2472,D03541, Clocortolone acetate (USAN)," Corticosteroids, moderately potent (group II)",D07AB21,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)COC(=O)C)C)C)O)Cl)F)C,452.94300000000004,3.5689,115.29,80.67,35,1,5,ARPLCFGLEYFDCN-CDACMRRYSA-N,C24H30ClFO5,CC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)Cl,"InChI=1S/C24H30ClFO5/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-23(17,4)24(16,25)20(30)10-22(15,3)21(12)19(29)11-31-13(2)27/h5-6,8,12,15-16,18,20-21,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21-,22+,23+,24+/m1/s1",-4.4430000000000005,-3.6289,-2.9901,-2.9835,-1.9238,-1.7147,1.2888,1.2984,1.3815,1.4088,1.4391,D03541_D07AB21,000a8202000002240200000300028000080000b02040400020000008000420001408100000800001800b008021000000012002000020410200200080000082000810080800040000000080002880020400d000400104000000001000000000010204000280000000000000000014980000030900000110000000008102000b00,1400002c30a005,9f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084d49d0ce4a95cb3d71c,1,0,59,5,0,4,61,64,-10.515,-0.634,9,1.0,0.577985823,-,2.8398,-,2.8398,https://www.genome.jp/dbget-bin/www_bget?dr:D03541
2473,D04201, Flucloronide (USAN)," Corticosteroids, potent (group III)",D07AC02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)Cl)Cl)F)C,487.38800000000003,3.8826,118.93299999999999,72.83,34,1,5,NJNWEGFJCGYWQT-VSXGLTOVSA-N,C24H29Cl2FO5,OCC(=O)C12OC(OC1CC1C2(C)CC(Cl)C2(C1CC(C1=CC(=O)C=CC21C)F)Cl)(C)C,"InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.637,-3.1696,-3.1565,-2.9704,-2.3632,-1.9269999999999998,1.2716,1.4207,1.4457,1.575,1.7693,D04201_D07AC02,006a82000000a2240000000300028002280000b4204040002000000800042000140810080080000580030080210000000100020000a0411300200080000080000810280800040000000080020880021400d000400104000020001001000020010204000a80080040040020004024fc0000010900000010000000000103000310,1400041c30a001,9f1900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4681549d8cc4a95db3d71c,1,0,61,4,0,2,61,65,-10.497,-0.7609999999999999,9,0.0,0.733264804,-,3.5922,-,3.5922,https://www.genome.jp/dbget-bin/www_bget?dr:D04201
2474,D03697, Desoximetasone (USP/INN)," Corticosteroids, potent (group III)",D07AC03,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.7808,100.757,74.6,33,2,4,VWVSBHGCDBMOOT-IIEHVVJPSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",-3.6165,-2.9802,-2.3547,-1.9243,-1.7936,-1.3706,1.0134,1.0204,1.0283,1.1328,1.4402,D03697_D07AC03,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000004080000100800000010000000408102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d2cc0ad5cb7d71c,1,0,55,4,0,2,56,59,-10.202,-0.423,8,,0.258524716,-,2.1597,-,2.1597,https://www.genome.jp/dbget-bin/www_bget?dr:D03697
2475,D03697, Desoximetasone (USP/INN)," Corticosteroids, potent, other combinations",D07XC02,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CO)C)C)O)F)C,376.462,2.7808,100.757,74.6,33,2,4,VWVSBHGCDBMOOT-IIEHVVJPSA-N,C22H29FO4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",-3.6282,-2.9717,-2.3474,-1.9112,-1.8056,-1.5883,1.0129,1.0339,1.1187,1.3738,1.4422,D03697_D07XC02,0002000000000224000000030000000000000090204040000200000000002000100852000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000004080000100800000010000000408102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d2cc0ad5cb7d71c,1,0,55,4,0,2,56,59,-10.202,-0.423,8,,0.258524716,-,2.1597,-,2.1597,https://www.genome.jp/dbget-bin/www_bget?dr:D03697
2476,D03812, Diflucortolone (USAN)," Corticosteroids, potent (group III)",D07AC06,DERMATOLOGICALS,C(O)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,394.452,2.7288,100.80799999999999,74.6,32,2,4,OGPWIDANBSLJPC-RFPWEZLHSA-N,C22H28F2O4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",-3.6147,-2.9781,-2.3537,-1.9272,-1.8835,-1.8177,1.0142,1.0358,1.4185,1.4441,1.9789,D03812_D07AC06,00020000000002240000001300000000000000b0204040002200000000002000100852000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000100800000010000000408102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,2,0,55,4,0,2,56,59,-10.468,-0.6609999999999999,9,,0.230798095,-,2.2868,-,2.2868,https://www.genome.jp/dbget-bin/www_bget?dr:D03812
2477,D03812, Diflucortolone (USAN)," Corticosteroids, potent, other combinations",D07XC04,DERMATOLOGICALS,C(O)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,394.452,2.7288,100.80799999999999,74.6,32,2,4,OGPWIDANBSLJPC-RFPWEZLHSA-N,C22H28F2O4,OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",-3.6297,-2.9806,-2.3616,-1.9261,-1.9181,-1.796,0.9975,1.0122,1.3179,1.4427,1.76,D03812_D07XC04,00020000000002240000001300000000000000b0204040002200000000002000100852000080000180020000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014080000100800000010000000408102000100,1400003c00a001,1f3900000000010000000000000000000001000000000000000000000000000000004040437805,000000020002020082084284949d0cc0ad5cb3d71c,2,0,55,4,0,2,56,59,-10.468,-0.6609999999999999,9,,0.230798095,-,2.2868,-,2.2868,https://www.genome.jp/dbget-bin/www_bget?dr:D03812
2478,D01764, Diflucortolone valerate (JP17)," Corticosteroids, potent (group III)",D07AC06,DERMATOLOGICALS,C(OC(=O)CCCC)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,478.569,4.4699,124.96600000000001,80.67,41,1,5,HHJIUUAMYGBVSD-YTFFSALGSA-N,C27H36F2O5,CCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1",-4.3947,-3.6289,-3.0023,-2.9887,-2.1372,-1.9269999999999998,1.2943,1.3851,1.4398,1.4451,1.5364,D01764_D07AC06,00020002000002240200001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,2,0,68,5,0,7,70,73,-10.540999999999999,-0.762,9,,0.6405177710000001,-,2.92,-,2.92,https://www.genome.jp/dbget-bin/www_bget?dr:D01764
2479,D01764, Diflucortolone valerate (JP17)," Corticosteroids, potent, other combinations",D07XC04,DERMATOLOGICALS,C(OC(=O)CCCC)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,478.569,4.4699,124.96600000000001,80.67,41,1,5,HHJIUUAMYGBVSD-YTFFSALGSA-N,C27H36F2O5,CCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1",-4.3713,-3.6276,-3.0164,-2.9935,-2.2035,-1.9323,1.3784,1.4249,1.4286,1.5327,1.5429,D01764_D07XC04,00020002000002240200001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084949d2ee4a95cb7d71c,2,0,68,5,0,7,70,73,-10.540999999999999,-0.762,9,,0.6405177710000001,-,2.92,-,2.92,https://www.genome.jp/dbget-bin/www_bget?dr:D01764
2480,D03813, Diflucortolone pivalate (USAN)," Corticosteroids, potent (group III)",D07AC06,DERMATOLOGICALS,C(OC(=O)C(C)(C)C)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,478.569,4.3258,124.706,80.67,41,1,5,UWGRWFCLGQWKPR-GSTUPEFVSA-N,C27H36F2O5,O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1",-4.4074,-3.5978,-3.0019,-2.9805,-2.0018,-1.9245,1.2902,1.3756,1.3797,1.4465,1.5441,D03813_D07AC06,00020002000002240200001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,2,0,68,5,0,5,70,73,-10.387,-0.8690000000000001,9,0.0,0.600008309,-,3.6602,-,3.6602,https://www.genome.jp/dbget-bin/www_bget?dr:D03813
2481,D03813, Diflucortolone pivalate (USAN)," Corticosteroids, potent, other combinations",D07XC04,DERMATOLOGICALS,C(OC(=O)C(C)(C)C)C(=O)[C@@H]1[C@]2(C[C@@H]([C@@]3([C@]4(C=CC(=O)C=C4[C@H](C[C@H]3[C@@H]2C[C@H]1C)F)C)F)O)C,478.569,4.3258,124.706,80.67,41,1,5,UWGRWFCLGQWKPR-GSTUPEFVSA-N,C27H36F2O5,O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2C(=O)COC(=O)C(C)(C)C)C)C)C,"InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1",-4.4028,-3.6289,-2.9991,-2.9810000000000003,-1.9263,-1.8201,1.3434,1.3821,1.4409,1.5081,1.5429,D03813_D07XC04,00020002000002240200001300020000000000b02040400022000000000420001408520000800001800a000021000000012002000020410200000080000082000810080800040000000080002880020400d000400100000000001000000000010204000280000000000000000014080000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,0000000200020200820a4084949d0ce4a95cb3d71c,2,0,68,5,0,5,70,73,-10.387,-0.8690000000000001,9,0.0,0.600008309,-,3.6602,-,3.6602,https://www.genome.jp/dbget-bin/www_bget?dr:D03813
2482,D00328, Flurandrenolide (USP)," Corticosteroids, potent (group III)",D07AC07,DERMATOLOGICALS,[C@@]12([C@@]3([C@@H](C[C@H]1OC(O2)(C)C)[C@H]1[C@H]([C@H](C3)O)[C@@]2(C(=CC(=O)CC2)[C@H](C1)F)C)C)C(=O)CO,436.514,2.4987,110.939,93.06,39,2,6,POPFMWWJOGLOIF-XWCQMRHXSA-N,C24H33FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)CCC21C)F)(C)C,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",-3.3087,-3.1612,-3.1594,-2.9738,-2.3672,-1.9225,1.4242,1.4438,1.5499,1.6664,1.751,D00328_D07AC07,000200000000a2240000000300020000200000b4204040000000000000042000140010080080000580020000200000000120000000a0411320000080000080000810280800040000000080022880021400d0004000000000208010010000200102040008800800000400200040143c0000010100000010000000008100000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440407805,0000000200020201820a4685949dacc4ad5db7d71c,1,0,65,3,0,2,64,68,-10.375,-0.318,9,0.0,0.34842175200000003,-,3.2705,-,3.2705,https://www.genome.jp/dbget-bin/www_bget?dr:D00328
2483,D07827, Diflorasone (INN)," Corticosteroids, potent (group III)",D07AC10,DERMATOLOGICALS,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)[C@H](C1)F)C)F)C)(C(=O)CO)O,410.452,1.8437,102.007,94.83,33,3,5,WXURHACBFYSXBI-XHIJKXOTSA-N,C22H28F2O5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6434,-2.9739999999999998,-2.3594,-2.3319,-1.9188,-1.7999,1.2662,1.4196,1.4436,1.5779,1.6789,D07827_D07AC10,00020000000002240000001300000000000000b0204040002200000000002000100852000080000180020000010000000120020000204103000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014280000100800000010000000408102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d0cc0ad5cb3d71c,2,0,56,4,0,2,57,60,-10.495,-0.715,9,1.0,0.154446781,-,2.4224,-,2.4224,https://www.genome.jp/dbget-bin/www_bget?dr:D07827
2484,D01327, Diflorasone diacetate (JP17/USP)," Corticosteroids, potent (group III)",D07AC10,DERMATOLOGICALS,[C@@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)[C@H](C1)F)C)F)C)(C(=O)COC(=O)C)OC(=O)C,494.525,2.9853,121.48200000000001,106.97,39,1,7,BOBLHFUVNSFZPJ-JOYXJVLSSA-N,C26H32F2O7,CC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C,"InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1",-4.4579,-4.4022,-3.6289,-3.0036,-2.9705,-2.965,1.3776,1.3813,1.4034,1.4396,1.5169,D01327_D07AC10,00020002000002240a00001300020000000000b02040400022000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400100000000001001000000010204000280000000000000004014280000130900000110000000408102000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d0ce4a95cb3d71c,2,0,64,6,0,6,67,70,-10.639000000000001,-0.858,9,0.0,0.477307707,-,3.7945,-,3.7945,https://www.genome.jp/dbget-bin/www_bget?dr:D01327
2485,D01387, Amcinonide (JAN/USP/INN)," Corticosteroids, potent (group III)",D07AC11,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)C)OC2(O1)CCCC2)C)O)F)C,502.57199999999995,3.5238,127.74,99.13,42,1,7,ILKJAFIWWBXGDU-MOGDOJJUSA-N,C28H35FO7,CC(=O)OCC(=O)C12OC3(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)CCCC3,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",-4.4151,-3.627,-3.2015,-3.1117,-2.9968,-2.9801,1.3099,1.3855,1.4451,1.5398,1.9485,D01387_D07AC11,000200020000a2240a00000300020000200000b42040400002000000000420001408520800800005800a0010210000000120020000a0411300000080000082000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040143c0000130900000110000000408142000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000006440437805,000000020002020182084485949dace4a95db7d71c,1,0,71,5,0,4,71,76,-10.265999999999998,-0.48,8,1.0,0.6887236240000001,+,4.9564,-,4.9564,https://www.genome.jp/dbget-bin/www_bget?dr:D01387
2486,D07202, Halometasone (INN)," Corticosteroids, potent (group III)",D07AC12,DERMATOLOGICALS,[C@@]12([C@@H](C[C@H]([C@@]1(C(=O)CO)O)C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C(=C2)Cl)[C@H](C1)F)C)F)C,444.897,2.4102,106.803,94.83,32,3,5,GGXMRPUKBWXVHE-MIHLVHIWSA-N,C22H27ClF2O5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C(=CC12C)Cl)F)F,"InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1",-3.6248,-2.9777,-2.3481,-2.3238,-1.9246,-1.8116,1.2892,1.4135,1.4388,1.5673,1.5979,D07202_D07AC12,000202000000026c0000001304000000080d00b0a04040002200000800002000100852000080000180030080050800000120020000204103000000000000000008000808000400000000800028800204005000400104000000001000000000010204000280000000000000000014280000100800000010080000408102000300,1400007c00a001,1f7900000000010008000000000000000001000000000000000000000000000000004040407804,000000020002120082084287d49d0cc0ad5cb3d71c,2,0,56,4,0,2,57,60,-10.211,-0.8109999999999999,9,1.0,0.37635088,-,2.6916,-,2.6916,https://www.genome.jp/dbget-bin/www_bget?dr:D07202
2487,D08227, Mometasone (INN)," Corticosteroids, potent (group III)",D07AC13,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)CCl)O)C)CCC2=CC(=O)C=C[C@]12C)Cl,427.361,3.4115,110.336,74.6,32,2,4,QLIIKPVHVRXHRI-CXSFZGCWSA-N,C22H28Cl2O4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6295,-2.9794,-2.3461,-1.9192,-1.7989,-1.2321,0.9996,1.0168,1.1756,1.4101,1.4983,D08227_D07AC13,0028820200000224000000010400800008000080004040000000000800002000100800000080000180030080010000000120020000204102002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400006c00a001,9f6800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000020082084086d48d2cc0ad5cb7d71c,0,0,55,4,0,2,56,59,-10.376,-0.649,8,1.0,0.614949226,-,206.442,-,206.442,https://www.genome.jp/dbget-bin/www_bget?dr:D08227
2488,D08227, Mometasone (INN)," Corticosteroids, potent, other combinations",D07XC03,DERMATOLOGICALS,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)CCl)O)C)CCC2=CC(=O)C=C[C@]12C)Cl,427.361,3.4115,110.336,74.6,32,2,4,QLIIKPVHVRXHRI-CXSFZGCWSA-N,C22H28Cl2O4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6299,-2.9796,-2.3462,-1.9193,-1.7995,-1.2317,0.9997,1.0151,1.1755,1.4101,1.4982,D08227_D07XC03,0028820200000224000000010400800008000080004040000000000800002000100800000080000180030080010000000120020000204102002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400006c00a001,9f6800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000020082084086d48d2cc0ad5cb7d71c,0,0,55,4,0,2,56,59,-10.376,-0.649,8,1.0,0.614949226,-,206.442,-,206.442,https://www.genome.jp/dbget-bin/www_bget?dr:D08227
2489,D08227, Mometasone (INN), Corticosteroids,R01AD09,RESPIRATORY SYSTEM,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)CCl)O)C)CCC2=CC(=O)C=C[C@]12C)Cl,427.361,3.4115,110.336,74.6,32,2,4,QLIIKPVHVRXHRI-CXSFZGCWSA-N,C22H28Cl2O4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6291,-2.9796,-2.3461,-1.9193,-1.7995,-1.2321,0.9997,1.0157,1.1754,1.4102,1.4982,D08227_R01AD09,0028820200000224000000010400800008000080004040000000000800002000100800000080000180030080010000000120020000204102002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400006c00a001,9f6800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000020082084086d48d2cc0ad5cb7d71c,0,0,55,4,0,2,56,59,-10.376,-0.649,8,1.0,0.614949226,-,206.442,-,206.442,https://www.genome.jp/dbget-bin/www_bget?dr:D08227
2490,D08227, Mometasone (INN), Glucocorticoids,R03BA07,RESPIRATORY SYSTEM,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@]([C@@H](C3)C)(C(=O)CCl)O)C)CCC2=CC(=O)C=C[C@]12C)Cl,427.361,3.4115,110.336,74.6,32,2,4,QLIIKPVHVRXHRI-CXSFZGCWSA-N,C22H28Cl2O4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",-3.6297,-2.9795,-2.3461,-1.9192,-1.7994,-1.2321,0.9996,1.016,1.1754,1.4102,1.4984,D08227_R03BA07,0028820200000224000000010400800008000080004040000000000800002000100800000080000180030080010000000120020000204102002000000000000008000800000400000000800028800204005000400004000000001000000000010204000280000000000000000000380000000800000000000000008102000b00,1400006c00a001,9f6800000000010000000000000000000001000000000000000000000000000000004040437804,000000020000020082084086d48d2cc0ad5cb7d71c,0,0,55,4,0,2,56,59,-10.376,-0.649,8,1.0,0.614949226,-,206.442,-,206.442,https://www.genome.jp/dbget-bin/www_bget?dr:D08227
2491,D00690, Mometasone furoate (JAN/USP)," Corticosteroids, potent (group III)",D07AC13,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.365,-3.6555,-3.6305,-2.9832,-1.9227,-1.6968,1.389,1.4838,1.544,1.6154,1.6965,D00690_D07AC13,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.204,-0.685,8,,0.9091075059999999,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D00690
2492,D00690, Mometasone furoate (JAN/USP)," Corticosteroids, potent, other combinations",D07XC03,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.4371,-3.6451,-3.6328,-2.9779,-1.9832,-1.9240000000000002,1.3798,1.4839,1.5529,1.5849,1.7113,D00690_D07XC03,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.204,-0.685,8,,0.9091075059999999,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D00690
2493,D00690, Mometasone furoate (JAN/USP), Corticosteroids,R01AD09,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.3727,-3.6606,-3.6285,-2.9644,-1.925,-1.6811,1.4036,1.4994,1.5308,1.5889,1.5973,D00690_R01AD09,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.204,-0.685,8,,0.9091075059999999,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D00690
2494,D00690, Mometasone furoate (JAN/USP), Glucocorticoids,R03BA07,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.455,-3.6314,-3.6252,-2.9814,-1.9269999999999998,-1.6524,1.3865,1.4803,1.5478,1.5822,1.7293,D00690_R03BA07,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.204,-0.685,8,,0.9091075059999999,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D00690
2495,D03325, Mometasone furoate hydrate (JAN)," Corticosteroids, potent (group III)",D07AC13,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.4895,-3.6296,-3.6210000000000004,-2.9773,-1.9274,-1.4328,1.1286,1.4255,1.4835,1.4945,1.5269,D03325_D07AC13,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.113,-0.631,8,,0.9091323020000001,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D03325
2496,D03325, Mometasone furoate hydrate (JAN)," Corticosteroids, potent, other combinations",D07XC03,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.4097,-3.6448,-3.6272,-2.9777,-2.1535,-1.9228,1.4175,1.4981,1.5509,1.6238,1.7312,D03325_D07XC03,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.113,-0.631,8,,0.9091323020000001,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D03325
2497,D03325, Mometasone furoate hydrate (JAN), Corticosteroids,R01AD09,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.3771,-3.6723,-3.6264,-2.9772,-1.9132,-1.7499,1.3973,1.4369999999999998,1.4938,1.5455,1.6152,D03325_R01AD09,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.113,-0.631,8,,0.9091323020000001,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D03325
2498,D03325, Mometasone furoate hydrate (JAN), Glucocorticoids,R03BA07,RESPIRATORY SYSTEM,[C@]1([C@@]2([C@@H](C[C@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)Cl)C)(OC(=O)c1ccco1)C(=O)CCl,521.429,4.8692,132.24,93.81,35,1,6,WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,ClCC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",-5.3951,-3.6346,-3.6213,-2.9851,-1.9247,-1.7380000000000002,1.4074,1.4911,1.541,1.6355,1.7328,D03325_R03BA07,00288202004002e4020002018502800008000088104048040020002840042020140a480400a00001800b048821000000012102000020411200200082004082000810080220040080000081002884024600f000402025000000001002004100030204200280000000004000001000380000030900010108000008208102001b00,1400002c30b005,9f280000000001000000900000000000000100000000a000000000000000000000004640437804,000000020000020182084484d48d2ce4a95db7d71e,0,5,59,5,0,5,65,69,-10.113,-0.631,8,,0.9091323020000001,+,3.4814,-,3.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D03325
2499,D07981, Fluticasone (INN)," Corticosteroids, potent (group III)",D07AC17,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)SCF)C)C)O)F)F)C,444.50800000000004,3.4691,108.488,99.9,32,2,5,MGNNYOODZCAHBA-GQKYHHCASA-N,C22H27F3O4S,FCSC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",-4.3777,-3.6292,-2.5606,-2.3374,-2.0511,-1.9637,1.2368,1.4807,1.5525,1.5938,1.9807,D07981_D07AC17,00020105000002240000001300000000000000b0204040042200000000002000100872000081000180020000010000000120020000204102000000000000080408040808000400000000a4002a8003040050024001100000014010000040a1050204000280000000000000000014280004101800000010000000408102000100,1400006c00a101,1f6900000000018002008002000000000001000000000000000000000000000000004040437804,0000000a000202008208c186948d0cc0ad5cb3d71c,3,0,56,4,0,3,57,60,-9.687000000000001,-0.887,9,1.0,0.465351254,-,2.6765,-,2.6765,https://www.genome.jp/dbget-bin/www_bget?dr:D07981
2500,D07981, Fluticasone (INN), Corticosteroids,R01AD08,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)SCF)C)C)O)F)F)C,444.50800000000004,3.4691,108.488,99.9,32,2,5,MGNNYOODZCAHBA-GQKYHHCASA-N,C22H27F3O4S,FCSC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",-4.3499,-3.6351,-2.5541,-2.336,-2.0508,-1.9646,1.2597,1.4819,1.5291,1.5982,1.9763,D07981_R01AD08,00020105000002240000001300000000000000b0204040042200000000002000100872000081000180020000010000000120020000204102000000000000080408040808000400000000a4002a8003040050024001100000014010000040a1050204000280000000000000000014280004101800000010000000408102000100,1400006c00a101,1f6900000000018002008002000000000001000000000000000000000000000000004040437804,0000000a000202008208c186948d0cc0ad5cb3d71c,3,0,56,4,0,3,57,60,-9.687000000000001,-0.887,9,1.0,0.465351254,-,2.6765,-,2.6765,https://www.genome.jp/dbget-bin/www_bget?dr:D07981
2501,D07981, Fluticasone (INN), Glucocorticoids,R03BA05,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)SCF)C)C)O)F)F)C,444.50800000000004,3.4691,108.488,99.9,32,2,5,MGNNYOODZCAHBA-GQKYHHCASA-N,C22H27F3O4S,FCSC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",-4.3598,-3.6352,-2.5611,-2.3366,-2.0515,-1.9666,1.2314,1.5132,1.5490000000000002,1.585,1.9842,D07981_R03BA05,00020105000002240000001300000000000000b0204040042200000000002000100872000081000180020000010000000120020000204102000000000000080408040808000400000000a4002a8003040050024001100000014010000040a1050204000280000000000000000014280004101800000010000000408102000100,1400006c00a101,1f6900000000018002008002000000000001000000000000000000000000000000004040437804,0000000a000202008208c186948d0cc0ad5cb3d71c,3,0,56,4,0,3,57,60,-9.687000000000001,-0.887,9,1.0,0.465351254,-,2.6765,-,2.6765,https://www.genome.jp/dbget-bin/www_bget?dr:D07981
2502,D01708, Fluticasone propionate (JAN/USAN)," Corticosteroids, potent (group III)",D07AC17,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)CC)C(=O)SCF)C)C)O)F)F)C,500.57099999999997,4.43,123.03200000000001,105.97,37,1,6,WMWTYOKRWGGJOA-CENSZEJFSA-N,C25H31F3O5S,FCSC(=O)C1(OC(=O)CC)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",-4.4752,-4.3318,-3.6325,-2.9342,-2.0575,-1.9602,1.3395,1.5307,1.5945,1.9474,2.0197,D01708_D07AC17,00020387000002240200001300020000002000b02040400422000000000420001408720000818001800a00002100000001200200002041120000008000008a0408140808100400000000a4802a80030400d0024001300000014010000040a1050204000280000000000000000014280004131900010110000000408142000100,1400002c30a105,1f2900000000018002009002000000000001000000000000000000000000000000004040437805,0000000a000202008208c184948d0ee4a95cb3d71c,3,0,63,5,0,6,65,68,-9.881,-1.051,9,,0.7848522659999999,-,3.3059,-,3.3059,https://www.genome.jp/dbget-bin/www_bget?dr:D01708
2503,D01708, Fluticasone propionate (JAN/USAN), Corticosteroids,R01AD08,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)CC)C(=O)SCF)C)C)O)F)F)C,500.57099999999997,4.43,123.03200000000001,105.97,37,1,6,WMWTYOKRWGGJOA-CENSZEJFSA-N,C25H31F3O5S,FCSC(=O)C1(OC(=O)CC)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",-4.4201,-4.3783,-3.6212,-2.9836,-2.0528,-1.9584,1.3145,1.3374,1.5396,1.9628,1.9973,D01708_R01AD08,00020387000002240200001300020000002000b02040400422000000000420001408720000818001800a00002100000001200200002041120000008000008a0408140808100400000000a4802a80030400d0024001300000014010000040a1050204000280000000000000000014280004131900010110000000408142000100,1400002c30a105,1f2900000000018002009002000000000001000000000000000000000000000000004040437805,0000000a000202008208c184948d0ee4a95cb3d71c,3,0,63,5,0,6,65,68,-9.881,-1.051,9,,0.7848522659999999,-,3.3059,-,3.3059,https://www.genome.jp/dbget-bin/www_bget?dr:D01708
2504,D01708, Fluticasone propionate (JAN/USAN), Glucocorticoids,R03BA05,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)CC)C(=O)SCF)C)C)O)F)F)C,500.57099999999997,4.43,123.03200000000001,105.97,37,1,6,WMWTYOKRWGGJOA-CENSZEJFSA-N,C25H31F3O5S,FCSC(=O)C1(OC(=O)CC)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",-4.373,-4.3461,-3.6276,-2.992,-2.0484,-1.9685,1.3319999999999999,1.4438,1.5316,1.9862,2.017,D01708_R03BA05,00020387000002240200001300020000002000b02040400422000000000420001408720000818001800a00002100000001200200002041120000008000008a0408140808100400000000a4802a80030400d0024001300000014010000040a1050204000280000000000000000014280004131900010110000000408142000100,1400002c30a105,1f2900000000018002009002000000000001000000000000000000000000000000004040437805,0000000a000202008208c184948d0ee4a95cb3d71c,3,0,63,5,0,6,65,68,-9.881,-1.051,9,,0.7848522659999999,-,3.3059,-,3.3059,https://www.genome.jp/dbget-bin/www_bget?dr:D01708
2505,D06315, Fluticasone furoate (JAN/USAN/INN)," Corticosteroids, potent (group III)",D07AC17,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)c1ccco1)C(=O)SCF)C)C)O)F)F)C,538.576,4.9268,130.392,119.11,35,1,7,XTULMSXFIHGYFS-VLSRWLAYSA-N,C27H29F3O6S,FCSC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",-5.447,-4.3546,-3.6519999999999997,-3.6281,-2.0459,-1.9583,1.3068,1.5404,1.6356,1.9326,1.9983,D06315_D07AC17,00020387004002e40200021385020000002000b8304048042220002040042020140a7a0000a18001800a04082100000001200200002041120000008200408a040814080a300400800000a5802a84034600f0024021310000014010000041a1070204200280000000004000001014280004131900010118000008608102001100,1400002c30b105,1f290000000001800200900200000000000100000000a000000000000000000000004640437804,0000000a000202018208c584948d0ce4a95db3d71e,3,5,60,5,0,6,66,70,-9.504,-0.9309999999999999,9,1.0,0.84257549,-,4.0811,-,4.0811,https://www.genome.jp/dbget-bin/www_bget?dr:D06315
2506,D06315, Fluticasone furoate (JAN/USAN/INN), Corticosteroids,R01AD12,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)c1ccco1)C(=O)SCF)C)C)O)F)F)C,538.576,4.9268,130.392,119.11,35,1,7,XTULMSXFIHGYFS-VLSRWLAYSA-N,C27H29F3O6S,FCSC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",-5.4508,-4.3489,-3.6292,-3.5785,-2.0531,-1.9578,1.3406,1.5332,1.6408,1.9642,2.0015,D06315_R01AD12,00020387004002e40200021385020000002000b8304048042220002040042020140a7a0000a18001800a04082100000001200200002041120000008200408a040814080a300400800000a5802a84034600f0024021310000014010000041a1070204200280000000004000001014280004131900010118000008608102001100,1400002c30b105,1f290000000001800200900200000000000100000000a000000000000000000000004640437804,0000000a000202018208c584948d0ce4a95db3d71e,3,5,60,5,0,6,66,70,-9.504,-0.9309999999999999,9,1.0,0.84257549,-,4.0811,-,4.0811,https://www.genome.jp/dbget-bin/www_bget?dr:D06315
2507,D06315, Fluticasone furoate (JAN/USAN/INN), Glucocorticoids,R03BA09,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@H]([C@]2(OC(=O)c1ccco1)C(=O)SCF)C)C)O)F)F)C,538.576,4.9268,130.392,119.11,35,1,7,XTULMSXFIHGYFS-VLSRWLAYSA-N,C27H29F3O6S,FCSC(=O)C1(OC(=O)c2ccco2)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",-5.3292,-4.3435,-3.633,-3.6299,-2.0478,-1.9592,1.5295,1.5319999999999998,1.6373,1.982,2.0229,D06315_R03BA09,00020387004002e40200021385020000002000b8304048042220002040042020140a7a0000a18001800a04082100000001200200002041120000008200408a040814080a300400800000a5802a84034600f0024021310000014010000041a1070204200280000000004000001014280004131900010118000008608102001100,1400002c30b105,1f290000000001800200900200000000000100000000a000000000000000000000004640437804,0000000a000202018208c584948d0ce4a95db3d71e,3,5,60,5,0,6,66,70,-9.504,-0.9309999999999999,9,1.0,0.84257549,-,4.0811,-,4.0811,https://www.genome.jp/dbget-bin/www_bget?dr:D06315
2508,D05601, Prednicarbate (USP/INN)," Corticosteroids, potent (group III)",D07AC18,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1CC[C@@]2(C(=O)COC(=O)CC)OC(=O)OCC)C)O)C,488.57,3.6993,127.62299999999999,116.2,44,1,8,FNPXMHRZILFCKX-KAJVQRHHSA-N,C27H36O8,CCOC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",-5.907,-4.4155,-3.9198,-3.8336,-3.6283,-3.0115,1.5034,1.5237,1.558,1.7016,1.7663,D05601_D07AC18,000000020000a2240a00000100020000000000a40040400000000000000420001408000000800001800a0010210000000120020000a0411300000080000082000810280800040000000080002880020400d000400000000020001001000020010204000a80080000000000004000280000030900000100000000008142000100,1400002c30a005,1f2800000000010000009000000000000049000000000000000000000000000000004040437805,004000020000020082080085949b2ee4895eb7d71c,0,0,68,6,0,9,71,74,-10.232999999999999,-0.506,7,0.0,0.38841000200000003,+,3.3149,-,3.3149,https://www.genome.jp/dbget-bin/www_bget?dr:D05601
2509,D01266, Difluprednate (JAN/USAN/INN)," Corticosteroids, potent (group III)",D07AC19,DERMATOLOGICALS,[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)[C@H](C1)F)C)F)C)(C(=O)COC(=O)C)OC(=O)CCC,508.551,3.5195,126.289,106.97,41,1,7,WYQPLTPSGFELIB-JTQPXKBDSA-N,C27H34F2O7,CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",-4.4193,-4.3577,-3.6303,-3.0262,-3.0183,-2.9777,1.4248,1.4399,1.4524,1.5391,1.5442,D01266_D07AC19,00020002000002240a00001300020000000000b02040400022000000000420001408520000800001800a001021000000012002000020411300000080000082000810080800040000000080002880020400d000400100000000001001000000010204000280000000000000004014280000130900000110000000408142000100,1400002c30a005,1f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084085949d2ee4a95cb7d71c,2,0,67,6,0,8,70,73,-10.529000000000002,-0.677,8,1.0,0.48841735700000005,-,3.7195,-,3.7195,https://www.genome.jp/dbget-bin/www_bget?dr:D01266
2510,D08660, Ulobetasol (INN)," Corticosteroids, potent (group III)",D07AC21,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CCl)O)C)C)O)F)F)C,428.897,3.0902,105.64200000000001,74.6,31,2,4,LEHFPXVYPMWYQD-XHIJKXOTSA-N,C22H27ClF2O4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F,"InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6216,-2.977,-2.3381,-1.9156,-1.7902,-1.7216,0.9954,1.2917,1.3499,1.4055,1.49,D08660_D07AC21,000a8202000002240000001304000000000000b0204040002200000800002000100852000080000180030000010000000120020000204102000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014380000100800000010000000408102000300,1400006c00a001,9f6900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002020082084086d48d0cc0ad5cb3d71c,2,0,55,4,0,2,56,59,-10.477,-0.629,9,0.0,0.495396316,-,2.3617,-,2.3617,https://www.genome.jp/dbget-bin/www_bget?dr:D08660
2511,D04409, Halobetasol propionate (USAN)," Corticosteroids, potent (group III)",D07AC21,DERMATOLOGICALS,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@]2(OC(=O)CC)C(=O)CCl)C)C)O)F)F)C,484.96,4.0511,120.186,80.67,36,1,5,BDSYKGHYMJNPAB-LICBFIPMSA-N,C25H31ClF2O5,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)CCl,"InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1",-4.4553,-3.6331,-2.9755,-2.9375,-1.9163,-1.7174,1.3332,1.3415,1.4015,1.4327,1.4818,D04409_D07AC21,000a8202000002240200001304020000000000b02040400022000008000420001408520400800001800b000021000000012102000020411200000080000082000810080800040000000080002880020400d000400100000000001002000000010204000280000000000000000014380000130900000110000000408142000300,1400002c30a005,9f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084d48d0ee4a95cb3d71c,2,0,62,5,0,5,64,67,-10.583,-0.731,9,,0.7179515959999999,-,2.9662,-,2.9662,https://www.genome.jp/dbget-bin/www_bget?dr:D04409
2512,D07715, Clobetasol (INN)," Corticosteroids, very potent (group IV)",D07AD01,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(O)C(=O)CCl,410.907,3.1422,105.59100000000001,74.6,32,2,4,FCSHDIVRCWTZOX-DVTGEIKXSA-N,C22H28ClFO4,ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F,"InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",-3.6423,-2.9786,-2.3386,-1.9251,-1.7938,-1.4408,0.9976,1.4104,1.4665,1.4962,1.5509,D07715_D07AD01,000a820200000224000000030400000000000090204040000200000800002000100852000080000180030000010000000120020000204102000000000000000008000800000400000000800028800204005000400000000000001000000000010204000280000000000000000014380000100800000010000000408102000300,1400006c00a001,9f6900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002020082084086d48d2cc0ad5cb7d71c,1,0,55,4,0,2,56,59,-10.270999999999999,-0.595,8,1.0,0.455820292,-,2.238,-,2.238,https://www.genome.jp/dbget-bin/www_bget?dr:D07715
2513,D01272, Clobetasol propionate (JP17/USP)," Corticosteroids, very potent (group IV)",D07AD01,DERMATOLOGICALS,[C@]1([C@@]2([C@@H](C[C@@H]1C)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)CC1)C)F)C)(OC(=O)CC)C(=O)CCl,466.97,4.1031,120.135,80.67,37,1,5,CBGUOGMQLZIXBE-XGQKBEPLSA-N,C25H32ClFO5,CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CCl,"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",-4.3424,-3.6292,-2.9851,-2.9760000000000004,-1.9185,-1.4578,1.3919,1.4652,1.4846,1.4878,1.5288,D01272_D07AD01,000a8202000002240200000304020000000000902040400002000008000420001408520400800001800b000021000000012102000020411200000080000082000810080800040000000080002880020400d000400000000000001002000000010204000280000000000000000014380000130900000110000000408142000300,1400002c30a005,9f2900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084084d48d2ee4a95cb7d71c,1,0,62,5,0,5,64,67,-10.245999999999999,-0.501,8,2.0,0.733312368,-,2.822,-,2.822,https://www.genome.jp/dbget-bin/www_bget?dr:D01272
2514,D01308, Halcinonide (JAN/USP/INN)," Corticosteroids, very potent (group IV)",D07AD02,DERMATOLOGICALS,C1C(=O)C=C2[C@](C1)([C@@]1([C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@]1([C@@H](C2)OC(O1)(C)C)C(=O)CCl)F)C,454.959,3.8893,114.611,72.83,37,1,5,MUQNGPZZQDCDFT-JNQJZLCISA-N,C24H32ClFO5,ClCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)CCC21C)F)(C)C,"InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",-3.3104,-3.1702,-3.1373,-2.9774,-1.9197,-1.9194,1.2673,1.2873,1.3016,1.4215,1.4967,D01308_D07AD02,000a8202000022240000000304020000200000b42040400002000008000420001400521c0080000580030000200000000120000000a0411220000080000080000810280000040000000080022880021400d0004000000000208010020000200102040008800800000400200000347c0000110100000010000000408100000300,1400042c30a001,9f2900000000814000000000000000000001000000000000000000000000000000004440407805,0000000200020201820a4485d48dacc4a95db7d71c,1,0,64,3,0,2,63,67,-10.267999999999999,-0.27899999999999997,8,,0.780867517,-,3.6363,-,3.6363,https://www.genome.jp/dbget-bin/www_bget?dr:D01308
2515,D02905, Aminacrine hydrochloride (USAN), Acridine derivatives,D08AA02,DERMATOLOGICALS,c1c2c(ccc1)c(c1c(n2)cccc1)N,194.232,3.5514,63.6534,38.91,12,1,2,XJGFWWJLMVZSIG-UHFFFAOYSA-N,C13H10N2,Nc1c2ccccc2nc2c1cccc2,"InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)",-5.1154,-5.1153,-2.068,-2.0678,-1.0779,-1.0779,0.5745,0.5984,0.6596,0.6596,1.3864,D02905_D08AA02,4000000000000400000006000000000000000000008000000000000000000000000000800000802008800008000000400000000000002000000000000000000004000400400000000000400000080000008000000400000040080000000000000000000000800000000000000000040000020000004000000000000002000000,0000000000b021,000040080000000000000000000000000000000000009000000000000000000000004600401000,000000000000000001800800120100015021412817,0,16,11,0,0,0,25,27,-7.952999999999999,-0.893,0,,0.20388470600000003,+,0.5013,+,0.5013,https://www.genome.jp/dbget-bin/www_bget?dr:D02905
2516,D07204, Dibrompropamidine (INN), Biguanides and amidines,D08AC01,DERMATOLOGICALS,c1c(ccc(c1Br)OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,472.17400000000004,5.6561,108.415,122.54,26,4,4,NRFGYWQKQWRCAH-UHFFFAOYSA-N,C17H20Br2N4O2,Brc1cc(ccc1OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,"InChI=1S/C17H20Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,20-23H2",-6.0636,-6.0434,-6.018,-6.0056,-4.8682,-4.8449,2.3246,2.3253,2.3286,2.3289,3.5978,D07204_D08AC01,0000000808000440001006000802000000000000000022400000008000000000100040120200000100800018000000000040020000000001000000020000000008200800010000010100000012088000008000c00000000043080001000100400010000000000402000000020010000000060101080100200880002000400004,0000000050b001,0200c2000000000000008000000000000000000000100000000000000000000000000240402800,000000002024000000304801001461602ce2e57d1f,0,12,32,2,0,8,45,46,-14.367,-6.279,0,1.0,0.000175677,+,0.7286,-,0.7286,https://www.genome.jp/dbget-bin/www_bget?dr:D07204
2517,D07204, Dibrompropamidine (INN), Other antiinfectives,S01AX14,SENSORY ORGANS,c1c(ccc(c1Br)OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,472.17400000000004,5.6561,108.415,122.54,26,4,4,NRFGYWQKQWRCAH-UHFFFAOYSA-N,C17H20Br2N4O2,Brc1cc(ccc1OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,"InChI=1S/C17H20Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,20-23H2",-6.0342,-6.0283,-6.0273,-6.024,-4.8388,-4.8327,2.3261,2.3261,2.3291,2.3291,3.5948,D07204_S01AX14,0000000808000440001006000802000000000000000022400000008000000000100040120200000100800018000000000040020000000001000000020000000008200800010000010100000012088000008000c00000000043080001000100400010000000000402000000020010000000060101080100200880002000400004,0000000050b001,0200c2000000000000008000000000000000000000100000000000000000000000000240402800,000000002024000000304801001461602ce2e57d1f,0,12,32,2,0,8,45,46,-14.367,-6.279,0,1.0,0.000175677,+,0.7286,-,0.7286,https://www.genome.jp/dbget-bin/www_bget?dr:D07204
2518,D07813, Dibrompropamidine isetionate, Biguanides and amidines,D08AC01,DERMATOLOGICALS,c1c(ccc(c1Br)OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,472.17400000000004,5.6561,108.415,122.54,26,4,4,NRFGYWQKQWRCAH-UHFFFAOYSA-N,C17H20Br2N4O2,Brc1cc(ccc1OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,"InChI=1S/C17H20Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,20-23H2",-6.0402,-6.0306,-6.0168,-6.0161,-4.8349,-4.8344,2.3237,2.3246,2.3267,2.3302,3.5981,D07813_D08AC01,0000000808000440001006000802000000000000000022400000008000000000100040120200000100800018000000000040020000000001000000020000000008200800010000010100000012088000008000c00000000043080001000100400010000000000402000000020010000000060101080100200880002000400004,0000000050b001,0200c2000000000000008000000000000000000000100000000000000000000000000240402800,000000002024000000304801001461602ce2e57d1f,0,12,32,2,0,8,45,46,-14.365,-6.28,0,1.0,0.00017607200000000002,+,0.7286,-,0.7286,https://www.genome.jp/dbget-bin/www_bget?dr:D07813
2519,D07813, Dibrompropamidine isetionate, Other antiinfectives,S01AX14,SENSORY ORGANS,c1c(ccc(c1Br)OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,472.17400000000004,5.6561,108.415,122.54,26,4,4,NRFGYWQKQWRCAH-UHFFFAOYSA-N,C17H20Br2N4O2,Brc1cc(ccc1OCCCOc1ccc(cc1Br)C(=[NH2])N)C(=[NH2])N,"InChI=1S/C17H20Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7,20-23H2",-6.0644,-6.0281,-6.0217,-5.9977,-4.8597,-4.8328,2.322,2.3232,2.3252,2.3295,3.5999,D07813_S01AX14,0000000808000440001006000802000000000000000022400000008000000000100040120200000100800018000000000040020000000001000000020000000008200800010000010100000012088000008000c00000000043080001000100400010000000000402000000020010000000060101080100200880002000400004,0000000050b001,0200c2000000000000008000000000000000000000100000000000000000000000000240402800,000000002024000000304801001461602ce2e57d1f,0,12,32,2,0,8,45,46,-14.365,-6.28,0,1.0,0.00017607200000000002,+,0.7286,-,0.7286,https://www.genome.jp/dbget-bin/www_bget?dr:D07813
2520,D07205, Propamidine (INN), Biguanides and amidines,D08AC03,DERMATOLOGICALS,c1c(ccc(c1)OCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,314.382,4.1311,93.0146,122.54,28,4,4,YTMAQEVVMYMVDC-UHFFFAOYSA-N,C17H22N4O2,NC(=[NH2])c1ccc(cc1)OCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C17H22N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11,18-21H2",-6.0487,-6.0336,-6.0219,-6.0063,-4.8403,-4.8352,2.3282,2.3293,2.3307,2.3321,3.5939,D07205_D08AC03,0000000000000440000006000802000000000000000022400000008000000000100040020200000100800018000000000000020000000001000000020000000008200800010000010000000002088000008000400000000043080001000100000010000000000402000000020010000000060100080100200800000000000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300801001061600c62c57d1f,0,12,32,2,0,8,45,46,-14.594000000000001,-6.157,0,0.0,2.5432299999999996e-06,+,0.7377,-,0.7377,https://www.genome.jp/dbget-bin/www_bget?dr:D07205
2521,D07205, Propamidine (INN), Other antiinfectives,S01AX15,SENSORY ORGANS,c1c(ccc(c1)OCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,314.382,4.1311,93.0146,122.54,28,4,4,YTMAQEVVMYMVDC-UHFFFAOYSA-N,C17H22N4O2,NC(=[NH2])c1ccc(cc1)OCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C17H22N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11,18-21H2",-6.0475,-6.0409,-6.0319,-6.0089,-4.8384,-4.8381,2.3275,2.3299,2.33,2.3309,3.5974,D07205_S01AX15,0000000000000440000006000802000000000000000022400000008000000000100040020200000100800018000000000000020000000001000000020000000008200800010000010000000002088000008000400000000043080001000100000010000000000402000000020010000000060100080100200800000000000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300801001061600c62c57d1f,0,12,32,2,0,8,45,46,-14.594000000000001,-6.157,0,0.0,2.5432299999999996e-06,+,0.7377,-,0.7377,https://www.genome.jp/dbget-bin/www_bget?dr:D07205
2522,D08436, Propamidine isetionate, Biguanides and amidines,D08AC03,DERMATOLOGICALS,c1c(ccc(c1)OCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,314.382,4.1311,93.0146,122.54,28,4,4,YTMAQEVVMYMVDC-UHFFFAOYSA-N,C17H22N4O2,NC(=[NH2])c1ccc(cc1)OCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C17H22N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11,18-21H2",-6.0407,-6.0335,-6.024,-6.0177,-4.8386,-4.8347,2.3301,2.3308,2.3323,2.3328,3.5921,D08436_D08AC03,0000000000000440000006000802000000000000000022400000008000000000100040020200000100800018000000000000020000000001000000020000000008200800010000010000000002088000008000400000000043080001000100000010000000000402000000020010000000060100080100200800000000000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300801001061600c62c57d1f,0,12,32,2,0,8,45,46,-14.595,-6.159,0,4.0,2.54145e-06,+,0.7377,-,0.7377,https://www.genome.jp/dbget-bin/www_bget?dr:D08436
2523,D08436, Propamidine isetionate, Other antiinfectives,S01AX15,SENSORY ORGANS,c1c(ccc(c1)OCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,314.382,4.1311,93.0146,122.54,28,4,4,YTMAQEVVMYMVDC-UHFFFAOYSA-N,C17H22N4O2,NC(=[NH2])c1ccc(cc1)OCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C17H22N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11,18-21H2",-6.0394,-6.0365,-6.0212,-6.0206,-4.8377,-4.8367,2.3273,2.3295,2.3322,2.3327,3.5934,D08436_S01AX15,0000000000000440000006000802000000000000000022400000008000000000100040020200000100800018000000000000020000000001000000020000000008200800010000010000000002088000008000400000000043080001000100000010000000000402000000020010000000060100080100200800000000000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300801001061600c62c57d1f,0,12,32,2,0,8,45,46,-14.595,-6.159,0,4.0,2.54145e-06,+,0.7377,-,0.7377,https://www.genome.jp/dbget-bin/www_bget?dr:D08436
2524,D07206, Hexamidine (INN/BAN), Biguanides and amidines,D08AC04,DERMATOLOGICALS,c1c(ccc(c1)OCCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,356.462,5.3014,107.436,122.54,34,4,4,VITPKPWFLMNDES-UHFFFAOYSA-N,C20H28N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C20H28N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14,21-24H2",-6.0526,-6.0333,-6.017,-6.0005,-4.8564,-4.8535,2.3168,2.3208,2.3294,2.3301,3.5981,D07206_D08AC04,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000204000000000020000800008200800010000110000800002088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,41,2,0,11,54,55,-14.125,-5.818,0,-2.0,5.14864e-05,+,1.0883,-,1.0883,https://www.genome.jp/dbget-bin/www_bget?dr:D07206
2525,D07206, Hexamidine (INN/BAN), Other nasal preparations,R01AX07,RESPIRATORY SYSTEM,c1c(ccc(c1)OCCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,356.462,5.3014,107.436,122.54,34,4,4,VITPKPWFLMNDES-UHFFFAOYSA-N,C20H28N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C20H28N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14,21-24H2",-6.0751,-6.0555,-6.0120000000000005,-5.9797,-4.8558,-4.8541,2.3280000000000003,2.3292,2.3335,2.3399,3.5949,D07206_R01AX07,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000204000000000020000800008200800010000110000800002088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,41,2,0,11,54,55,-14.125,-5.818,0,-2.0,5.14864e-05,+,1.0883,-,1.0883,https://www.genome.jp/dbget-bin/www_bget?dr:D07206
2526,D07206, Hexamidine (INN/BAN), Antiseptics,R02AA18,RESPIRATORY SYSTEM,c1c(ccc(c1)OCCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,356.462,5.3014,107.436,122.54,34,4,4,VITPKPWFLMNDES-UHFFFAOYSA-N,C20H28N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C20H28N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14,21-24H2",-6.0506,-6.0464,-6.0389,-6.0064,-4.8447,-4.8403,2.3279,2.33,2.3308,2.3321,3.602,D07206_R02AA18,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000204000000000020000800008200800010000110000800002088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,41,2,0,11,54,55,-14.125,-5.818,0,-2.0,5.14864e-05,+,1.0883,-,1.0883,https://www.genome.jp/dbget-bin/www_bget?dr:D07206
2527,D07206, Hexamidine (INN/BAN), Other antiinfectives,S01AX08,SENSORY ORGANS,c1c(ccc(c1)OCCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,356.462,5.3014,107.436,122.54,34,4,4,VITPKPWFLMNDES-UHFFFAOYSA-N,C20H28N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C20H28N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14,21-24H2",-6.0738,-6.0489,-6.0135,-5.9929,-4.8447,-4.84,2.3253,2.3315,2.3336,2.339,3.5921,D07206_S01AX08,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000204000000000020000800008200800010000110000800002088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,41,2,0,11,54,55,-14.125,-5.818,0,-2.0,5.14864e-05,+,1.0883,-,1.0883,https://www.genome.jp/dbget-bin/www_bget?dr:D07206
2528,D07206, Hexamidine (INN/BAN), Antiinfectives,S03AA05,SENSORY ORGANS,c1c(ccc(c1)OCCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,356.462,5.3014,107.436,122.54,34,4,4,VITPKPWFLMNDES-UHFFFAOYSA-N,C20H28N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C20H28N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14,21-24H2",-6.0868,-6.0669,-5.9772,-5.9448,-4.8597,-4.8471,2.3196,2.3225,2.3282,2.3332,3.5932,D07206_S03AA05,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000204000000000020000800008200800010000110000800002088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,41,2,0,11,54,55,-14.125,-5.818,0,-2.0,5.14864e-05,+,1.0883,-,1.0883,https://www.genome.jp/dbget-bin/www_bget?dr:D07206
2529,D00859, Hexachlorophene (USP/INN), Phenol and derivatives,D08AE01,DERMATOLOGICALS,c1(c(c(cc(c1O)Cl)Cl)Cl)Cc1c(c(cc(c1Cl)Cl)Cl)O,406.904,6.609,90.001,40.46,8,2,2,ACGUYXCXAPNIKK-UHFFFAOYSA-N,C13H6Cl6O2,Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",-0.9102,-0.8768,-0.7777,-0.7756,-0.5668,-0.5661,0.48100000000000004,0.4814,0.4888,0.49,0.6684,D00859_D08AE01,000402000000000602000200800000008000004000001020000a10a000200000100040002000000000010008000400000000020000000000000000020000000008200000000000800204000006000002008800400000000844084880000000000002000100000016200000000000000000020100000100200800000400800000,0000000402b001,020000000000000000000000000000000000000000050000000000000000000000000200402000,0000000000000000000040024004014024c4a1541e,0,12,16,0,0,2,27,28,-9.605,-0.777,0,,0.988167405,+,1.0406,-,1.0406,https://www.genome.jp/dbget-bin/www_bget?dr:D00859
2530,D07207, Policresulen (INN), Phenol and derivatives,D08AE02,DERMATOLOGICALS,c1(cc(c(c(c1C)Cc1cc(c(cc1C)O)S(=O)(=O)O)O)S(=O)(=O)O)Cc1c(ccc(c1O)S(=O)(=O)O)C,588.624,5.8927,135.891,248.94,33,6,12,WXMZVPJCIFFJQR-UHFFFAOYSA-N,C23H24O12S3,Cc1c(Cc2c(C)ccc(c2O)S(=O)(=O)O)cc(c(c1Cc1cc(c(cc1C)O)S(=O)(=O)O)O)S(=O)(=O)O,"InChI=1S/C23H24O12S3/c1-11-4-5-19(36(27,28)29)22(25)16(11)8-15-10-21(38(33,34)35)23(26)17(13(15)3)7-14-9-20(37(30,31)32)18(24)6-12(14)2/h4-6,9-10,24-26H,7-8H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)",-9.9128,-9.6599,-9.6597,-9.6283,-9.6134,-9.4467,3.8206,4.303,5.0344,5.1938,5.3275,D07207_D08AE02,200401000000000202000200800000022000804000001200000000a00080000018004008284000000000000800000080002202000080000000000002000200000820080080022080020020000200000000820060002000084008080000088004000200010004000200000100010100000002d100022100200810804000000000,0000000402b001,030000000000000000000000000000000000000000010000000022000000000000000240403800,00000000c080549e14018103208209c886dcbbd41e,0,18,40,6,0,7,62,64,-1.5090000000000001,7.065,0,1.0,1.04047e-11,+,3.7239,-,3.7239,https://www.genome.jp/dbget-bin/www_bget?dr:D07207
2531,D07207, Policresulen (INN), Other antiinfectives and antiseptics,G01AX03,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c(c(c1C)Cc1cc(c(cc1C)O)S(=O)(=O)O)O)S(=O)(=O)O)Cc1c(ccc(c1O)S(=O)(=O)O)C,588.624,5.8927,135.891,248.94,33,6,12,WXMZVPJCIFFJQR-UHFFFAOYSA-N,C23H24O12S3,Cc1c(Cc2c(C)ccc(c2O)S(=O)(=O)O)cc(c(c1Cc1cc(c(cc1C)O)S(=O)(=O)O)O)S(=O)(=O)O,"InChI=1S/C23H24O12S3/c1-11-4-5-19(36(27,28)29)22(25)16(11)8-15-10-21(38(33,34)35)23(26)17(13(15)3)7-14-9-20(37(30,31)32)18(24)6-12(14)2/h4-6,9-10,24-26H,7-8H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)",-9.7212,-9.7024,-9.6729,-9.6422,-9.6082,-9.6074,3.7924,4.4328,5.0377,5.0388,5.0647,D07207_G01AX03,200401000000000202000200800000022000804000001200000000a00080000018004008284000000000000800000080002202000080000000000002000200000820080080022080020020000200000000820060002000084008080000088004000200010004000200000100010100000002d100022100200810804000000000,0000000402b001,030000000000000000000000000000000000000000010000000022000000000000000240403800,00000000c080549e14018103208209c886dcbbd41e,0,18,40,6,0,7,62,64,-1.5090000000000001,7.065,0,1.0,1.04047e-11,+,3.7239,-,3.7239,https://www.genome.jp/dbget-bin/www_bget?dr:D07207
2532,D06226, Triclosan (USP/INN), Phenol and derivatives,D08AE04,DERMATOLOGICALS,c1c(ccc(c1Cl)Oc1ccc(cc1O)Cl)Cl,289.54200000000003,5.1447,70.01100000000001,29.46,9,1,2,XEFQLINVKFYRCS-UHFFFAOYSA-N,C12H7Cl3O2,Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",-0.4629,-0.4372,-0.4212,-0.4066,-0.3714,-0.3152,0.3131,0.3461,0.34700000000000003,0.4329,0.4394,D06226_D08AE04,000002000004008000000200000200000000200000001000008800000020000000000000000000000003000800004000000002000020000000040000000000000880000001000001020400000640000200c800000000000040080000000000000000000000000012200000000010000000020000080000200800000000800000,0000000492b001,000004000000000000000000000000000000000000050000000000000000000000000200402000,0000000000000000800040004004016020c4a1501e,0,12,13,0,0,2,24,25,-9.318,-0.474,0,1.0,0.648519754,+,0.3386,-,0.3386,https://www.genome.jp/dbget-bin/www_bget?dr:D06226
2533,D06226, Triclosan (USP/INN), Medicated dressings with antiinfectives,D09AA06,DERMATOLOGICALS,c1c(ccc(c1Cl)Oc1ccc(cc1O)Cl)Cl,289.54200000000003,5.1447,70.01100000000001,29.46,9,1,2,XEFQLINVKFYRCS-UHFFFAOYSA-N,C12H7Cl3O2,Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",-0.4627,-0.4385,-0.4088,-0.4072,-0.3719,-0.3401,0.3129,0.3254,0.3704,0.4324,0.4406,D06226_D09AA06,000002000004008000000200000200000000200000001000008800000020000000000000000000000003000800004000000002000020000000040000000000000880000001000001020400000640000200c800000000000040080000000000000000000000000012200000000010000000020000080000200800000000800000,0000000492b001,000004000000000000000000000000000000000000050000000000000000000000000200402000,0000000000000000800040004004016020c4a1501e,0,12,13,0,0,2,24,25,-9.318,-0.474,0,1.0,0.648519754,+,0.3386,-,0.3386,https://www.genome.jp/dbget-bin/www_bget?dr:D06226
2534,D03473, Chloroxylenol (USP/INN), Phenol and derivatives,D08AE05,DERMATOLOGICALS,c1c(c(c(cc1O)C)Cl)C,156.609,2.6624,43.407,20.23,10,1,1,OSDLLIBGSJNGJE-UHFFFAOYSA-N,C8H9ClO,Oc1cc(C)c(c(c1)C)Cl,"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",-0.4641,-0.449,-0.4325,-0.4021,-0.3269,-0.3073,0.2795,0.2989,0.3018,0.4319,0.4789,D03473_D08AE05,0000020000000000000002000000000000000000000010000002008000200000000040000000000000010008000000000002020000000000000000020000000008000000000000000000000006000002008800400000000040080000000000000000000000000002000000000100000000020100000100200800004000800000,0000000402b001,010000000000000000000000000000000000000000050000000000000000000000000200400000,0000000000000000000040004004014020c4b0901e,0,6,13,0,0,0,19,19,-9.312000000000001,0.284,0,0.0,0.063956857,-,0.2653,-,0.2653,https://www.genome.jp/dbget-bin/www_bget?dr:D03473
2535,D00108, Iodine (JP17/USP), Iodine products,D08AG03,DERMATOLOGICALS,II,253.80900000000003,1.7714,28.04,0.0,0,0,0,PNDPGZBMCMUPRI-UHFFFAOYSA-N,I2,II,InChI=1S/I2/c1-2,-0.4641,-0.449,-0.4325,-0.4021,-0.3269,-0.3073,0.0,0.0,0.0,0.0,0.0,D00108_D08AG03,0000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,000000000000000000000000000000000000000000000000000000000000000000000000080000,000000440000000000000000000000082000000000,0,0,1,0,0,0,2,1,-10.671,-2.191,0,0.0,,+,1.2971,-,1.2971,https://www.genome.jp/dbget-bin/www_bget?dr:D00108
2536,D01575, Dequalinium chloride (JAN/INN), Quinoline derivatives,D08AH01,DERMATOLOGICALS,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.0751,-5.0479,-5.0224,-4.9945,-2.6223,-2.6222,0.6849,0.7477,1.1462,1.1463,2.6947,D01575_D08AH01,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.04,0,0.0,0.29205602399999997,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D01575
2537,D01575, Dequalinium chloride (JAN/INN), Quinoline derivatives,G01AC05,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.0331,-5.0324,-5.0286,-5.0153,-2.6247,-2.6177,0.9329,0.953,1.1439,1.1481,2.6860000000000004,D01575_G01AC05,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.04,0,0.0,0.29205602399999997,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D01575
2538,D01575, Dequalinium chloride (JAN/INN), Antiseptics,R02AA02,RESPIRATORY SYSTEM,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.0296,-5.0268,-5.0041,-4.9836,-2.6188,-2.6119,1.1431,1.2669,1.3,1.492,2.6999,D01575_R02AA02,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.04,0,0.0,0.29205602399999997,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D01575
2539,D09802, Dequalinium salicylate (JAN), Quinoline derivatives,D08AH01,DERMATOLOGICALS,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.1251,-5.0739,-5.0186,-4.9554,-2.6266,-2.6243,0.7112,0.7842,1.148,1.1502,2.6854,D09802_D08AH01,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.041,0,0.0,0.29198786600000004,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D09802
2540,D09802, Dequalinium salicylate (JAN), Quinoline derivatives,G01AC05,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.081,-5.0534,-5.0039,-5.003,-2.6213,-2.6184,1.0105,1.0706,1.1457,1.1461,2.6553,D09802_G01AC05,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.041,0,0.0,0.29198786600000004,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D09802
2541,D09802, Dequalinium salicylate (JAN), Antiseptics,R02AA02,RESPIRATORY SYSTEM,n1(c(cc(c2c1cccc2)N)C)CCCCCCCCCCn1c(cc(c2c1cccc2)N)C,456.665,8.9228,150.297,61.9,42,2,2,WNMUABHKBNEATF-UHFFFAOYSA-N,C30H40N4,Nc1cc(C)n(c2c1cccc2)CCCCCCCCCCn1c(C)cc(c2c1cccc2)N,"InChI=1S/C30H40N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22H,3-8,13-14,19-20,31-32H2,1-2H3",-5.0697,-5.0446,-5.0102,-5.0035,-2.6202,-2.6155,0.8466,0.8681,1.1442,1.145,2.6587,D09802_R02AA02,0022000000000200100004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200002000000000000000000000000000000000000000002000000000001500000200080010000000000000000002000000000000000000000000000040000000010000004000100000000,0000000000a001,0700c0020000000000000000000000000000000000000000000000000000000000004400402004,0000000000000000008418069a49ac8315237dad15,0,0,95,0,0,11,92,95,-13.96,-6.041,0,0.0,0.29198786600000004,+,2.28,-,2.28,https://www.genome.jp/dbget-bin/www_bget?dr:D09802
2542,D07208, Chlorquinaldol (INN), Quinoline derivatives,D08AH02,DERMATOLOGICALS,c1(cc(c2c(c1O)nc(cc2)C)Cl)Cl,228.075,3.5556,58.751999999999995,33.12,9,1,2,GPTXWRGISTZRIO-UHFFFAOYSA-N,C10H7Cl2NO,Cc1ccc2c(n1)c(O)c(cc2Cl)Cl,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",-2.0481,-1.9525,-1.0977,-1.0017,-0.5645,-0.5249,0.3617,0.4516,0.48200000000000004,0.5577,0.877,D07208_D08AH02,000042000000040000000200040000000000000040001000000800800064000000004080000080200881000800000040000002000000200008000002000000000c0004024000020000044000060800020088004004000000400800000000000000002000000080062400000020000c0000020110004100600800000002800100,0000000402b001,010000000000000000000000000000000000000000059000000000000000000000004600400000,0000000000000000010040405205014120c5a1981f,0,11,11,0,0,0,21,22,-8.992,-0.998,0,0.0,0.288642228,+,0.2766,-,0.2766,https://www.genome.jp/dbget-bin/www_bget?dr:D07208
2543,D07208, Chlorquinaldol (INN), Quinoline derivatives,G01AC03,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c2c(c1O)nc(cc2)C)Cl)Cl,228.075,3.5556,58.751999999999995,33.12,9,1,2,GPTXWRGISTZRIO-UHFFFAOYSA-N,C10H7Cl2NO,Cc1ccc2c(n1)c(O)c(cc2Cl)Cl,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",-2.0481,-1.9525,-1.0977,-1.0017,-0.5645,-0.5249,0.3617,0.4516,0.48200000000000004,0.5577,0.877,D07208_G01AC03,000042000000040000000200040000000000000040001000000800800064000000004080000080200881000800000040000002000000200008000002000000000c0004024000020000044000060800020088004004000000400800000000000000002000000080062400000020000c0000020110004100600800000002800100,0000000402b001,010000000000000000000000000000000000000000059000000000000000000000004600400000,0000000000000000010040405205014120c5a1981f,0,11,11,0,0,0,21,22,-8.992,-0.998,0,0.0,0.288642228,+,0.2766,-,0.2766,https://www.genome.jp/dbget-bin/www_bget?dr:D07208
2544,D07208, Chlorquinaldol (INN), Hydroxyquinoline derivatives,P01AA04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1O)nc(cc2)C)Cl)Cl,228.075,3.5556,58.751999999999995,33.12,9,1,2,GPTXWRGISTZRIO-UHFFFAOYSA-N,C10H7Cl2NO,Cc1ccc2c(n1)c(O)c(cc2Cl)Cl,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",-2.0481,-1.9525,-1.0977,-1.0017,-0.5645,-0.5249,0.3617,0.4516,0.48200000000000004,0.5577,0.877,D07208_P01AA04,000042000000040000000200040000000000000040001000000800800064000000004080000080200881000800000040000002000000200008000002000000000c0004024000020000044000060800020088004004000000400800000000000000002000000080062400000020000c0000020110004100600800000002800100,0000000402b001,010000000000000000000000000000000000000000059000000000000000000000004600400000,0000000000000000010040405205014120c5a1981f,0,11,11,0,0,0,21,22,-8.992,-0.998,0,0.0,0.288642228,+,0.2766,-,0.2766,https://www.genome.jp/dbget-bin/www_bget?dr:D07208
2545,D07208, Chlorquinaldol (INN), Antiseptics,R02AA11,RESPIRATORY SYSTEM,c1(cc(c2c(c1O)nc(cc2)C)Cl)Cl,228.075,3.5556,58.751999999999995,33.12,9,1,2,GPTXWRGISTZRIO-UHFFFAOYSA-N,C10H7Cl2NO,Cc1ccc2c(n1)c(O)c(cc2Cl)Cl,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",-2.0481,-1.9525,-1.0977,-1.0017,-0.5645,-0.5249,0.3617,0.4516,0.48200000000000004,0.5577,0.877,D07208_R02AA11,000042000000040000000200040000000000000040001000000800800064000000004080000080200881000800000040000002000000200008000002000000000c0004024000020000044000060800020088004004000000400800000000000000002000000080062400000020000c0000020110004100600800000002800100,0000000402b001,010000000000000000000000000000000000000000059000000000000000000000004600400000,0000000000000000010040405205014120c5a1981f,0,11,11,0,0,0,21,22,-8.992,-0.998,0,0.0,0.288642228,+,0.2766,-,0.2766,https://www.genome.jp/dbget-bin/www_bget?dr:D07208
2546,D03538, Clioquinol (USP/INN), Quinoline derivatives,D08AH30,DERMATOLOGICALS,c1(cc(c2c(c1O)nccc2)Cl)I,305.5,3.1984,61.493,33.12,7,1,2,QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,Ic1cc(Cl)c2c(c1O)nccc2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.048,-1.9643,-1.0577,-1.003,-0.6488,-0.45899999999999996,0.3214,0.3251,0.4813,0.5565,0.8797,D03538_D08AH30,000042040000240000000200000000000000000000001000000000000064000000000080000080200881000840000340000002000001200000000000000000000c8004004000002000004002460800020088000004000000400800000000000000002000000000020400000000000c0000020000004030600801000002800100,0000000402b001,000000000000000000000000000000000000000000259000000000000000000000004600400000,0000000400000000010040405205014120c5a1181f,0,11,8,0,0,0,18,19,-9.119,-1.07,0,0.0,0.255481273,+,0.1805,-,0.1805,https://www.genome.jp/dbget-bin/www_bget?dr:D03538
2547,D03538, Clioquinol (USP/INN), Medicated dressings with antiinfectives,D09AA10,DERMATOLOGICALS,c1(cc(c2c(c1O)nccc2)Cl)I,305.5,3.1984,61.493,33.12,7,1,2,QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,Ic1cc(Cl)c2c(c1O)nccc2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.048,-1.9643,-1.0577,-1.003,-0.6488,-0.45899999999999996,0.3214,0.3251,0.4813,0.5565,0.8797,D03538_D09AA10,000042040000240000000200000000000000000000001000000000000064000000000080000080200881000840000340000002000001200000000000000000000c8004004000002000004002460800020088000004000000400800000000000000002000000000020400000000000c0000020000004030600801000002800100,0000000402b001,000000000000000000000000000000000000000000259000000000000000000000004600400000,0000000400000000010040405205014120c5a1181f,0,11,8,0,0,0,18,19,-9.119,-1.07,0,0.0,0.255481273,+,0.1805,-,0.1805,https://www.genome.jp/dbget-bin/www_bget?dr:D03538
2548,D03538, Clioquinol (USP/INN), Quinoline derivatives,G01AC02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c2c(c1O)nccc2)Cl)I,305.5,3.1984,61.493,33.12,7,1,2,QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,Ic1cc(Cl)c2c(c1O)nccc2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.048,-1.9643,-1.0577,-1.003,-0.6488,-0.45899999999999996,0.3214,0.3251,0.4813,0.5565,0.8797,D03538_G01AC02,000042040000240000000200000000000000000000001000000000000064000000000080000080200881000840000340000002000001200000000000000000000c8004004000002000004002460800020088000004000000400800000000000000002000000000020400000000000c0000020000004030600801000002800100,0000000402b001,000000000000000000000000000000000000000000259000000000000000000000004600400000,0000000400000000010040405205014120c5a1181f,0,11,8,0,0,0,18,19,-9.119,-1.07,0,0.0,0.255481273,+,0.1805,-,0.1805,https://www.genome.jp/dbget-bin/www_bget?dr:D03538
2549,D03538, Clioquinol (USP/INN), Hydroxyquinoline derivatives,P01AA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1O)nccc2)Cl)I,305.5,3.1984,61.493,33.12,7,1,2,QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,Ic1cc(Cl)c2c(c1O)nccc2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.048,-1.9643,-1.0577,-1.003,-0.6488,-0.45899999999999996,0.3214,0.3251,0.4813,0.5565,0.8797,D03538_P01AA02,000042040000240000000200000000000000000000001000000000000064000000000080000080200881000840000340000002000001200000000000000000000c8004004000002000004002460800020088000004000000400800000000000000002000000000020400000000000c0000020000004030600801000002800100,0000000402b001,000000000000000000000000000000000000000000259000000000000000000000004600400000,0000000400000000010040405205014120c5a1181f,0,11,8,0,0,0,18,19,-9.119,-1.07,0,0.0,0.255481273,+,0.1805,-,0.1805,https://www.genome.jp/dbget-bin/www_bget?dr:D03538
2550,D03538, Clioquinol (USP/INN), Antiinfectives,S02AA05,SENSORY ORGANS,c1(cc(c2c(c1O)nccc2)Cl)I,305.5,3.1984,61.493,33.12,7,1,2,QCDFBFJGMNKBDO-UHFFFAOYSA-N,C9H5ClINO,Ic1cc(Cl)c2c(c1O)nccc2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.048,-1.9643,-1.0577,-1.003,-0.6488,-0.45899999999999996,0.3214,0.3251,0.4813,0.5565,0.8797,D03538_S02AA05,000042040000240000000200000000000000000000001000000000000064000000000080000080200881000840000340000002000001200000000000000000000c8004004000002000004002460800020088000004000000400800000000000000002000000000020400000000000c0000020000004030600801000002800100,0000000402b001,000000000000000000000000000000000000000000259000000000000000000000004600400000,0000000400000000010040405205014120c5a1181f,0,11,8,0,0,0,18,19,-9.119,-1.07,0,0.0,0.255481273,+,0.1805,-,0.1805,https://www.genome.jp/dbget-bin/www_bget?dr:D03538
2551,D07664, Cetrimonium (DCF), Quaternary ammonium compounds,D08AJ02,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8372,-4.7641,-4.746,-4.6909,0.0,0.0,1.4180000000000001,1.4222,1.4275,1.4612,1.4801,D07664_D08AJ02,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.118,-4.058,0,1.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07664
2552,D07664, Cetrimonium (DCF), Antiseptics,R02AA17,RESPIRATORY SYSTEM,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8139,-4.8019,-4.7844,-4.754,0.0,0.0,1.4374,1.4443,1.4592,1.4606,1.4713,D07664_R02AA17,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.118,-4.058,0,1.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07664
2553,D03454, Cetrimonium bromide (NF/INN), Quaternary ammonium compounds,D08AJ02,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8097,-4.7935,-4.77,-4.7010000000000005,0.0,0.0,1.4223,1.4269999999999998,1.4478,1.4609999999999999,1.4756,D03454_D08AJ02,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.116,-4.0569999999999995,0,-1.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D03454
2554,D03454, Cetrimonium bromide (NF/INN), Antiseptics,R02AA17,RESPIRATORY SYSTEM,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.7736,-4.7605,-4.7582,-4.6258,0.0,0.0,1.4089,1.4107,1.4251,1.45,1.4719,D03454_R02AA17,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.116,-4.0569999999999995,0,-1.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D03454
2555,D07672, Cetrimonium chloride (BAN), Quaternary ammonium compounds,D08AJ02,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.806,-4.7932,-4.7686,-4.7196,0.0,0.0,1.4231,1.4245,1.4657,1.4659,1.4669999999999999,D07672_D08AJ02,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.115,-4.058,0,0.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07672
2556,D07672, Cetrimonium chloride (BAN), Antiseptics,R02AA17,RESPIRATORY SYSTEM,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.82,-4.8134,-4.7618,-4.7549,0.0,0.0,1.4186,1.4387,1.463,1.4687,1.4741,D07672_R02AA17,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.115,-4.058,0,0.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07672
2557,D07673, Cetrimonium tosilate, Quaternary ammonium compounds,D08AJ02,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8182,-4.7954,-4.7528,-4.7102,0.0,0.0,1.4253,1.43,1.4361,1.4512,1.4713,D07673_D08AJ02,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.118,-4.0569999999999995,0,0.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07673
2558,D07673, Cetrimonium tosilate, Antiseptics,R02AA17,RESPIRATORY SYSTEM,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8204,-4.7973,-4.7683,-4.7241,0.0,0.0,1.4268,1.432,1.4599,1.4626,1.4732,D07673_R02AA17,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.118,-4.0569999999999995,0,0.0,,-,3.4262,-,3.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D07673
2559,D02164, Cetrimide (JAN), Quaternary ammonium compounds,D08AJ04,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8828,-4.7865,-4.7516,-4.7069,0.0,0.0,1.4338,1.4358,1.4409999999999998,1.4659,1.4697,D02164_D08AJ04,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.116,-4.058,0,0.0,,-,3.4266,-,3.4266,https://www.genome.jp/dbget-bin/www_bget?dr:D02164
2560,D02164, Cetrimide (JAN), Medicated shampoos,D11AC01,DERMATOLOGICALS,[N+](CCCCCCCCCCCCCCCC)(C)(C)C,284.543,6.1739,95.8214,0.0,42,0,0,RLGQACBPNDBWTB-UHFFFAOYSA-N,C19H42N+,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",-4.8174,-4.8006,-4.7541,-4.7345,0.0,0.0,1.4162,1.4399,1.4572,1.4617,1.4691,D02164_D11AC01,0002000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201101ca501,0,0,61,0,0,15,62,61,-12.116,-4.058,0,0.0,,-,3.4266,-,3.4266,https://www.genome.jp/dbget-bin/www_bget?dr:D02164
2561,D07822, Didecyldimethylammonium chloride, Quaternary ammonium compounds,D08AJ06,DERMATOLOGICALS,C(CCCCCCCC[N+](CCCCCCCCCC)(C)C)C,326.623,7.3442,110.242,0.0,48,0,0,JGFDZZLUDWMUQH-UHFFFAOYSA-N,C22H48N+,CCCCCCCCCC[N+](CCCCCCCCCC)(C)C,"InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1",-4.7843,-4.6855,-4.6828,-4.5882,0.0,0.0,1.2644,1.2807,1.4818,1.5003,1.5067,D07822_D08AJ06,0022000000000200000004000000000000000010000000000000000000000000100010000000000010000010000000000102000000200000000000000000000000000000000000000000000002000000000001400000200080000000000000000000002000000000000000000000000000040000000010000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000000000000000000c02200,00000020000001000002301008c82e8201121ca501,0,0,70,0,0,18,71,70,-12.821,-3.889,0,-1.0,,+,4.3909,-,4.3909,https://www.genome.jp/dbget-bin/www_bget?dr:D07822
2562,D01140, Benzethonium chloride (JP17/USP/INN), Quaternary ammonium compounds,D08AJ08,DERMATOLOGICALS,c1c(ccc(c1)OCCOCC[N+](Cc1ccccc1)(C)C)C(CC(C)(C)C)(C)C,412.62800000000004,6.0724,127.96,18.46,44,0,2,SIYLLGKDQZGJHK-UHFFFAOYSA-N,C27H42NO2+,CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1",-6.0817,-4.7866,-4.7841,-4.7119,-1.6494,-1.5841,1.4538,1.4809999999999999,1.8037,1.8657,1.8659,D01140_D08AJ08,000600000000040002000600000300002100808000001200000000c0000400001000400800000016008000080001000001000200020000000000000200000010080009000914200100002000020880000080004000003008400808000028000040100002000004020000000080100000000601800a0100200800000108000004,0100000070f001,0b8042040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001008202305008d02de209529df51f,0,12,61,0,0,12,72,73,-10.668,-4.0969999999999995,0,0.0,0.536326647,+,1.8877,-,1.8877,https://www.genome.jp/dbget-bin/www_bget?dr:D01140
2563,D01140, Benzethonium chloride (JP17/USP/INN), Antiseptics,R02AA09,RESPIRATORY SYSTEM,c1c(ccc(c1)OCCOCC[N+](Cc1ccccc1)(C)C)C(CC(C)(C)C)(C)C,412.62800000000004,6.0724,127.96,18.46,44,0,2,SIYLLGKDQZGJHK-UHFFFAOYSA-N,C27H42NO2+,CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1",-6.0632,-4.8316,-4.7899,-4.6865,-1.8084,-1.6455,1.4605,1.4806,1.831,1.8338,1.8657,D01140_R02AA09,000600000000040002000600000300002100808000001200000000c0000400001000400800000016008000080001000001000200020000000000000200000010080009000914200100002000020880000080004000003008400808000028000040100002000004020000000080100000000601800a0100200800000108000004,0100000070f001,0b8042040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001008202305008d02de209529df51f,0,12,61,0,0,12,72,73,-10.668,-4.0969999999999995,0,0.0,0.536326647,+,1.8877,-,1.8877,https://www.genome.jp/dbget-bin/www_bget?dr:D01140
2564,D01730, Silver nitrate (JP17/USP), Silver compounds,D08AL01,DERMATOLOGICALS,O[N](=O)O,64.0208,0.0669,9.368,69.89,4,2,0,AZWJGRDHTVFEMS-UHFFFAOYSA-N,H2NO3,O[N](=O)O,"InChI=1S/H2NO3/c2-1(3)4/h(H2,2,3,4)",-6.1431,-5.0326,-5.0241,-1.6383,-1.4202,-1.1587,0.7442,1.8034,2.0517,2.0813,2.8166,D01730_D08AL01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000100000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000000000000000000000800a00,0000800000840140700000202002400a06040a4009,0,0,4,1,0,0,6,5,-5.707999999999999,5.824,0,,,+,1.1187,-,1.1187,https://www.genome.jp/dbget-bin/www_bget?dr:D01730
2565,D01730, Silver nitrate (JP17/USP), Other antiinfectives,S01AX02,SENSORY ORGANS,O[N](=O)O,64.0208,0.0669,9.368,69.89,4,2,0,AZWJGRDHTVFEMS-UHFFFAOYSA-N,H2NO3,O[N](=O)O,"InChI=1S/H2NO3/c2-1(3)4/h(H2,2,3,4)",-6.1434,-5.0326,-5.024,-1.6383,-1.4202,-1.1587,0.7443,1.8034,2.0517,2.0813,2.8167,D01730_S01AX02,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000100000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000000000000000000000800a00,0000800000840140700000202002400a06040a4009,0,0,4,1,0,0,6,5,-5.707999999999999,5.824,0,,,+,1.1187,-,1.1187,https://www.genome.jp/dbget-bin/www_bget?dr:D01730
2566,D05840," Silver nitrate, toughened (USP)", Silver compounds,D08AL01,DERMATOLOGICALS,O[N](=O)O,64.0208,0.0669,9.368,69.89,4,2,0,AZWJGRDHTVFEMS-UHFFFAOYSA-N,H2NO3,O[N](=O)O,"InChI=1S/H2NO3/c2-1(3)4/h(H2,2,3,4)",-6.143,-5.0326,-5.024,-1.6382,-1.4202,-1.1587,0.7443,1.8033,2.0516,2.0813,2.8168,D05840_D08AL01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000100000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000000000000000000000800a00,0000800000840140700000202002400a06040a4009,0,0,4,1,0,0,6,5,-5.71,5.829,0,0.0,,-,1.0311,-,1.0311,https://www.genome.jp/dbget-bin/www_bget?dr:D05840
2567,D05840," Silver nitrate, toughened (USP)", Other antiinfectives,S01AX02,SENSORY ORGANS,O[N](=O)O,64.0208,0.0669,9.368,69.89,4,2,0,AZWJGRDHTVFEMS-UHFFFAOYSA-N,H2NO3,O[N](=O)O,"InChI=1S/H2NO3/c2-1(3)4/h(H2,2,3,4)",-6.1436,-5.0322,-5.0242,-1.6382,-1.4202,-1.1587,0.7443,1.8034,2.0517,2.0812,2.8165,D05840_S01AX02,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000100000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000000000000000000000800a00,0000800000840140700000202002400a06040a4009,0,0,4,1,0,0,6,5,-5.71,5.829,0,0.0,,-,1.0311,-,1.0311,https://www.genome.jp/dbget-bin/www_bget?dr:D05840
2568,D02445, Tosylchloramide sodium (INN), Other antiseptics and disinfectants,D08AX04,DERMATOLOGICALS,c1c(ccc(c1)S(=O)(=O)NCl)C,205.662,2.8988,47.2927,54.55,10,1,3,NXTVQNIVUKXOIL-UHFFFAOYSA-N,C7H8ClNO2S,ClNS(=O)(=O)c1ccc(cc1)C,"InChI=1S/C7H8ClNO2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,1H3",-9.3671,-9.3455,-7.1053,-3.4387,-1.4228,-1.1452,1.0758,1.0799,2.1078,2.1308,2.4028,D02445_D08AX04,200003000000000000000220000000002800000000000000000000800000000008004008000000000002000800000080002000000000000000000002000000000000400000002080010000000000000000804060002000004008000000000200000000000000000000000000080001000102b100000100010010804010000000,0000000000b001,010000000000000000000000000000000000000000000000000020000000000000000240482800,000000c00100449e3401812060821008a20048c81f,0,6,12,2,0,2,20,20,-10.724,-7.414,0,,0.010175784,-,0.1561,-,0.1561,https://www.genome.jp/dbget-bin/www_bget?dr:D02445
2569,D00137, Isopropyl alcohol (USP), Other antiseptics and disinfectants,D08AX05,DERMATOLOGICALS,C(C)(C)O,60.095,0.3871,17.6968,20.23,9,1,1,KFZMGEQAYNKOFK-UHFFFAOYSA-N,C3H8O,CC(O)C,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",-1.9251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D00137_D08AX05,0000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000002c00a000,012800000000000000000000000000000000000000000000000000000000000000000000400000,000000000000000000020000000000000004909008,0,0,11,0,0,0,12,11,-10.958,3.3739999999999997,0,,,+,0.7958,-,0.7958,https://www.genome.jp/dbget-bin/www_bget?dr:D00137
2570,D01711, Sodium hypochlorite (JAN/USP), Other antiseptics and disinfectants,D08AX07,DERMATOLOGICALS,ClO,52.4603,0.5127,7.7888,20.23,1,1,1,QWPPOHNGKGFGJK-UHFFFAOYSA-N,ClHO,OCl,InChI=1S/ClHO/c1-2/h2H,-0.1591,0.1779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.1591,D01711_D08AX07,0000020000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000000000000000000080000,000000400000000010000000600000082004000008,0,0,2,0,0,0,3,2,-2.693,9.577,0,0.0,7.1541e-05,+,1.3001,-,1.3001,https://www.genome.jp/dbget-bin/www_bget?dr:D01711
2571,D00068, Alcohol (USP), Other antiseptics and disinfectants,D08AX08,DERMATOLOGICALS,C(C)O,46.0684,-0.0014,12.8898,20.23,7,1,1,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,C2H6O,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",-1.9304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D00068_D08AX08,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,011800000000000000000000000000000000000000000000000000000000000000000000400000,000000000000000000000200001002000004009508,0,0,8,0,0,0,9,8,-11.149000000000001,3.5189999999999997,0,,0.000346889,-,1.1174,-,1.1174,https://www.genome.jp/dbget-bin/www_bget?dr:D00068
2572,D00068, Alcohol (USP), Antidotes,V03AB16,VARIOUS,C(C)O,46.0684,-0.0014,12.8898,20.23,7,1,1,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,C2H6O,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",-1.9306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D00068_V03AB16,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,011800000000000000000000000000000000000000000000000000000000000000000000400000,000000000000000000000200001002000004009508,0,0,8,0,0,0,9,8,-11.149000000000001,3.5189999999999997,0,,0.000346889,-,1.1174,-,1.1174,https://www.genome.jp/dbget-bin/www_bget?dr:D00068
2573,D00068, Alcohol (USP), Nerve depressants,V03AZ01,VARIOUS,C(C)O,46.0684,-0.0014,12.8898,20.23,7,1,1,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,C2H6O,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",-1.9305,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D00068_V03AZ01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000001c00a000,011800000000000000000000000000000000000000000000000000000000000000000000400000,000000000000000000000200001002000004009508,0,0,8,0,0,0,9,8,-11.149000000000001,3.5189999999999997,0,,0.000346889,-,1.1174,-,1.1174,https://www.genome.jp/dbget-bin/www_bget?dr:D00068
2574,D05140, Framycetin (INN), Medicated dressings with antiinfectives,D09AA01,DERMATOLOGICALS,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4188,-5.3994,-5.3731,-5.3728,-5.3623,-5.3576,2.5539,2.6013,2.6065,2.7102,3.1053,D05140_D09AA01,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.246,-14.377,19,1.0,6.50557e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D05140
2575,D05140, Framycetin (INN), Other nasal preparations,R01AX08,RESPIRATORY SYSTEM,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4465,-5.3989,-5.3917,-5.3877,-5.3663,-5.3528,2.5974,2.6318,2.7352,2.8184,2.9973,D05140_R01AX08,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.246,-14.377,19,1.0,6.50557e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D05140
2576,D05140, Framycetin (INN), Antibiotics,S01AA07,SENSORY ORGANS,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.3876,-5.3855,-5.3848,-5.3814,-5.3687,-5.3578,2.6111,2.614,2.6227,2.7665,2.9889,D05140_S01AA07,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.246,-14.377,19,1.0,6.50557e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D05140
2577,D07994, Framycetin sulfate, Medicated dressings with antiinfectives,D09AA01,DERMATOLOGICALS,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4468,-5.3969,-5.3731,-5.3624,-5.3591,-5.3575,2.5963,2.6127,2.8613,2.9658,3.0853,D07994_D09AA01,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.248,-14.378,19,1.0,6.502349999999999e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D07994
2578,D07994, Framycetin sulfate, Other nasal preparations,R01AX08,RESPIRATORY SYSTEM,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4727,-5.388999999999999,-5.3657,-5.3633,-5.359,-5.3583,2.6085,2.7575,2.8526,3.0069,3.11,D07994_R01AX08,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.248,-14.378,19,1.0,6.502349999999999e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D07994
2579,D07994, Framycetin sulfate, Antibiotics,S01AA07,SENSORY ORGANS,[C@@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)O)C[NH3+],620.691,-13.1961,142.65200000000002,362.83,65,13,13,PGBHMTALBVVCIT-VCIWKGPPSA-T,C23H52N6O13++++++,OCC1OC(C(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)O)OC1C(O)C([NH3+])CC(C1OC1OC(C[NH3+])C(C(C1[NH3+])O)O)[NH3+],"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",-5.4318,-5.4034,-5.3747,-5.3568,-5.3552,-5.3548,2.5118,2.5706,2.6045,2.8674,3.1332,D07994_S01AA07,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,97,0,0,9,94,97,-22.248,-14.378,19,1.0,6.502349999999999e-35,+,3.4638,-,3.4638,https://www.genome.jp/dbget-bin/www_bget?dr:D07994
2580,D07210, Benzododecinium chloride (INN), Medicated dressings with antiinfectives,D09AA05,DERMATOLOGICALS,c1cccc(c1)C[N+](CCCCCCCCCCCC)(C)C,304.533,6.1839,101.08,0.0,38,0,0,CYDRXTMLKJDRQH-UHFFFAOYSA-N,C21H38N+,CCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,"InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1",-6.0389,-4.8,-4.7737,-4.7709,-0.882,-0.6648,1.4452,1.4516,1.4998,1.8121,1.8546,D07210_D09AA05,000200000000062000000600000100000000009000000000000000c0000000001000500000000000108000180000000001020000002000000000000200000000000000000004000000000000020800000080014000002000c0080000000000000010002200000000000000000000000000060100000110000000000100000000,0100000000f001,030040040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001000002301008c82e8201121ca517,0,6,54,0,0,13,60,60,-12.533,-3.9189999999999996,0,0.0,0.34207403700000005,+,1.659,-,1.659,https://www.genome.jp/dbget-bin/www_bget?dr:D07210
2581,D01910, Iodoform (JP17/USP), Medicated dressings with antiinfectives,D09AA13,DERMATOLOGICALS,C(I)(I)I,393.73199999999997,2.575,45.81,0.0,1,0,0,OKJPEAGHQZHRQV-UHFFFAOYSA-N,CHI3,IC(I)I,InChI=1S/CHI3/c2-1(3)4/h1H,-0.7386,-0.7386,-0.7386,0.0,0.0,0.0,0.0,0.0,0.0,0.1526,0.1526,D01910_D09AA13,0000000080002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,000400000000000000000000000000000000000000000000000000000000000000000000000000,000000040000000000000000000600002000000000,0,0,4,0,0,0,5,4,-10.821,-1.194,0,0.0,0.054599483,+,3.9436,-,3.9436,https://www.genome.jp/dbget-bin/www_bget?dr:D01910
2582,D00802, Bithionol (JAN/INN), Preparations containing sulfur,D10AB01,DERMATOLOGICALS,c1(Sc2c(c(cc(c2)Cl)Cl)O)c(c(cc(c1)Cl)Cl)O,356.05199999999996,5.8626,81.093,65.76,9,2,3,JFIOVJDNOJYLKP-UHFFFAOYSA-N,C12H6Cl4O2S,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",-1.7567,-1.0225,-0.5683,-0.5631,-0.5326,-0.4871,0.4557,0.4786,0.5073,0.5129,1.0789,D00802_D10AB01,24000b0000000000000002000002000000000000000010000008080000a00000090000000000800000010008000800808000020000002000000000000010000408000000000000000006000006000002008800200000000040080000000000000000000000000002300000000000040000021000000002240802800000800000,0000000402b101,000010000000000000000000000000000000000000050000000000000000000000000200402000,00000000000000840000c1004004014024c4a1501e,0,12,14,0,0,2,25,26,-9.379,-1.055,0,,0.8945871590000001,-,0.5678,-,0.5678,https://www.genome.jp/dbget-bin/www_bget?dr:D00802
2583,D00802, Bithionol (JAN/INN), Other antitrematodal agents,P02BX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(Sc2c(c(cc(c2)Cl)Cl)O)c(c(cc(c1)Cl)Cl)O,356.05199999999996,5.8626,81.093,65.76,9,2,3,JFIOVJDNOJYLKP-UHFFFAOYSA-N,C12H6Cl4O2S,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",-1.6723,-0.978,-0.5676,-0.5628,-0.5356,-0.4864,0.455,0.4784,0.508,0.5138,1.0352,D00802_P02BX01,24000b0000000000000002000002000000000000000010000008080000a00000090000000000800000010008000800808000020000002000000000000010000408000000000000000006000006000002008800200000000040080000000000000000000000000002300000000000040000021000000002240802800000800000,0000000402b101,000010000000000000000000000000000000000000050000000000000000000000000200402000,00000000000000840000c1004004014024c4a1501e,0,12,14,0,0,2,25,26,-9.379,-1.055,0,,0.8945871590000001,-,0.5678,-,0.5678,https://www.genome.jp/dbget-bin/www_bget?dr:D00802
2584,D03135, Bithionolate sodium (USAN), Preparations containing sulfur,D10AB01,DERMATOLOGICALS,c1(cc(cc(c1O)Sc1cc(cc(c1O)Cl)Cl)Cl)Cl,356.05199999999996,5.8626,81.093,65.76,7,2,3,JFIOVJDNOJYLKP-UHFFFAOYSA-N,C12H6Cl4O2S,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",-1.7937,-1.0317,-0.5685,-0.5634,-0.5293,-0.4874,0.4558,0.4787,0.5071,0.5131,1.0966,D03135_D10AB01,24000b0000000000000002000002000000000000000010000008080000a00000090000000000800000010008000800808000020000002000000000000010000408000000000000000006000006000002008800200000000040080000000000000000000000000002300000000000040000021000000002240802800000800000,0000000402b101,000010000000000000000000000000000000000000050000000000000000000000000200402000,00000000000000840000c1004004014024c4a1501e,0,12,14,0,0,2,25,26,-0.9329999999999999,6.837999999999999,0,,0.974991202,-,0.5674,-,0.5674,https://www.genome.jp/dbget-bin/www_bget?dr:D03135
2585,D03135, Bithionolate sodium (USAN), Other antitrematodal agents,P02BX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(cc(c1O)Sc1cc(cc(c1O)Cl)Cl)Cl)Cl,356.05199999999996,5.8626,81.093,65.76,7,2,3,JFIOVJDNOJYLKP-UHFFFAOYSA-N,C12H6Cl4O2S,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",-1.7782,-1.0171,-0.5686,-0.5631,-0.5313,-0.4871,0.456,0.4786,0.5057,0.514,1.0864,D03135_P02BX01,24000b0000000000000002000002000000000000000010000008080000a00000090000000000800000010008000800808000020000002000000000000010000408000000000000000006000006000002008800200000000040080000000000000000000000000002300000000000040000021000000002240802800000800000,0000000402b101,000010000000000000000000000000000000000000050000000000000000000000000200402000,00000000000000840000c1004004014024c4a1501e,0,12,14,0,0,2,25,26,-0.9329999999999999,6.837999999999999,0,,0.974991202,-,0.5674,-,0.5674,https://www.genome.jp/dbget-bin/www_bget?dr:D03135
2586,D07211, Tioxolone (INN/BAN), Preparations containing sulfur,D10AB03,DERMATOLOGICALS,c1(ccc2c(c1)oc(=O)s2)O,168.17,1.5601,42.38399999999999,78.68,6,1,4,SLYPOVJCSQHITR-UHFFFAOYSA-N,C7H4O3S,Oc1ccc2c(c1)oc(=O)s2,"InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H",-5.7749,-2.0692,-1.6979,-1.1276,-0.5221,-0.4846,0.4881,0.5125,0.6245,0.7576,0.8311,D07211_D10AB03,00044100000084000000020110200002040020081000000208000014004000000000080028000000800000480000400000000204020000086000008020000400080600008000000000000000028400400080400000020000400800000060080000020000000800020100600010020c0100026080080008200800001000000500,0000000402b001,00000000000000000000000000000000004000000001e100000000000000000000004640400000,00000000080000010000858110038144004582521e,0,10,5,1,0,0,15,16,-9.206,-0.513,0,1.0,0.024953742999999997,-,0.3811,-,0.3811,https://www.genome.jp/dbget-bin/www_bget?dr:D07211
2587,D07212, Mesulfen (INN), Preparations containing sulfur,D10AB05,DERMATOLOGICALS,c1c(cc2c(c1)Sc1c(S2)ccc(c1)C)C,244.375,4.9192,71.062,50.6,14,0,2,AHXDSVSZEZHDLV-UHFFFAOYSA-N,C14H12S2,Cc1ccc2c(c1)Sc1c(S2)cc(cc1)C,"InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3",-0.298,-0.2979,-0.2974,-0.2974,-0.2972,-0.2972,0.2212,0.2214,0.2229,0.2229,0.2319,D07212_D10AB05,2000010000000000000002000002000000000000200000000000008000008000090040002000800040000008000000800400000000002000000000020010000400020000800000000000010000000000008000600000000040080000000000000000000000000000000001000000060000021100000102000012c00000008000,00000000003101,010010000000000000000000000000000000000000000000000000000000000000004600400000,000000000800000400008100120180000081118016,0,12,18,0,0,0,28,30,-7.854,-0.145,0,-1.0,0.790532351,-,0.8891,-,0.8891,https://www.genome.jp/dbget-bin/www_bget?dr:D07212
2588,D07212, Mesulfen (INN), Sulfur containing products,P03AA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)Sc1c(S2)ccc(c1)C)C,244.375,4.9192,71.062,50.6,14,0,2,AHXDSVSZEZHDLV-UHFFFAOYSA-N,C14H12S2,Cc1ccc2c(c1)Sc1c(S2)cc(cc1)C,"InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3",-0.298,-0.2979,-0.2974,-0.2974,-0.2972,-0.2972,0.2212,0.2214,0.2229,0.2229,0.2319,D07212_P03AA03,2000010000000000000002000002000000000000200000000000008000008000090040002000800040000008000000800400000000002000000000020010000400020000800000000000010000000000008000600000000040080000000000000000000000000000000001000000060000021100000102000012c00000008000,00000000003101,010010000000000000000000000000000000000000000000000000000000000000004600400000,000000000800000400008100120180000081118016,0,12,18,0,0,0,28,30,-7.854,-0.145,0,-1.0,0.790532351,-,0.8891,-,0.8891,https://www.genome.jp/dbget-bin/www_bget?dr:D07212
2589,D00094, Tretinoin (JAN/USP/INN), Retinoids for topical use in acne,D10AD01,DERMATOLOGICALS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-YCNIQYBTSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",-4.8907,-4.6992,-1.3332,-0.9403,-0.5633,-0.5626,0.465,0.5118,0.5424,0.7041,2.3521,D00094_D10AD01,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.87,1.73,0,,8.714600000000001e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D00094
2590,D00094, Tretinoin (JAN/USP/INN), Other antineoplastic agents,L01XX14,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-YCNIQYBTSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",-4.8965,-4.7166,-1.3281,-0.9345,-0.565,-0.5599,0.4633,0.5148,0.5415,0.7034,2.3603,D00094_L01XX14,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.87,1.73,0,,8.714600000000001e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D00094
2591,D01516, Tretinoin tocoferil (JAN), Retinoids for topical use in acne,D10AD01,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/C(=O)Oc1c(c2c(c(c1C)C)O[C@@](CC2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)/C)/C,713.1260000000001,14.5716,230.52900000000002,35.53,79,0,3,RIQIJXOWVAHQES-UNAKLNRMSA-N,C49H76O3,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)CCCC(CCCC(C)C)C,"InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1",-4.2539,-1.7252,-1.0162,-0.9581,-0.5674,-0.5428,0.4224,0.4526,0.4669,0.4757,0.7223,D01516_D10AD01,100400120000822402400200420300000100008000404800010400c0001020001200400040c04011000a000800010400010202009020490020800022000082000c200800210401118000a22002828202408800400000104840081800000900010206000000100002010000c201100840000301000a0100203800044300040004,04000000503005,1f0002000000000000009000000000000001000000000000000000000000000000004640437804,0000000000000201020a000016892de409d1b7d61e,0,6,118,6,0,19,128,130,-8.236,-1.1179999999999999,3,1.0,0.999831617,+,6.0533,-,6.0533,https://www.genome.jp/dbget-bin/www_bget?dr:D01516
2592,D01516, Tretinoin tocoferil (JAN), Other antineoplastic agents,L01XX14,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/C(=O)Oc1c(c2c(c(c1C)C)O[C@@](CC2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)/C)/C,713.1260000000001,14.5716,230.52900000000002,35.53,79,0,3,RIQIJXOWVAHQES-UNAKLNRMSA-N,C49H76O3,CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)CCCC(CCCC(C)C)C,"InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1",-4.5791,-1.725,-1.006,-0.9418,-0.5783,-0.5607,0.4491,0.4571,0.4622,0.49,0.7101,D01516_L01XX14,100400120000822402400200420300000100008000404800010400c0001020001200400040c04011000a000800010400010202009020490020800022000082000c200800210401118000a22002828202408800400000104840081800000900010206000000100002010000c201100840000301000a0100203800044300040004,04000000503005,1f0002000000000000009000000000000001000000000000000000000000000000004640437804,0000000000000201020a000016892de409d1b7d61e,0,6,118,6,0,19,128,130,-8.236,-1.1179999999999999,3,1.0,0.999831617,+,6.0533,-,6.0533,https://www.genome.jp/dbget-bin/www_bget?dr:D01516
2593,D01112, Adapalene (JAN/USAN/INN), Retinoids for topical use in acne,D10AD03,DERMATOLOGICALS,[C@]12(C[C@H]3C[C@@H](C1)C[C@H](C3)C2)c1c(ccc(c2ccc3c(c2)ccc(c3)C(=O)O)c1)OC,412.52,6.6814,124.605,46.53,30,1,3,LZCDAPDGXCYOEH-AADAIPAGSA-N,C28H28O3,COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/t17-,18+,19-,28-",-4.3976,-4.2625,-1.3327,-1.0262,-0.5529999999999999,-0.5434,0.4923,0.4947,0.515,0.5302,2.316,D01112_D10AD03,00040000000002c002400200024300004100000000000200800000c0000000001404400000000011280a02080001000001000200002000060010000200000200082008000100000100002000128000004080004000001008400808000009000000020000000004020040000001100000000201000a0100200808000100200000,0400000c50b003,0e000200000000000000880000000000000100000000000000000000000000000000c240402804,000000000000002002000010108101e400c4a3d21e,0,17,46,1,0,4,59,64,-4.857,1.8430000000000002,0,1.0,0.056825373,+,2.3637,-,2.3637,https://www.genome.jp/dbget-bin/www_bget?dr:D01112
2594,D00348, Isotretinoin (USP), Retinoids for topical use in acne,D10AD04,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-XFYACQKRSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",-4.9297,-4.7062,-1.3339,-0.9329999999999999,-0.5491,-0.5099,0.48700000000000004,0.4991,0.5301,0.7148,2.3658,D00348_D10AD04,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.919,2.0669999999999997,0,1.0,8.43747e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D00348
2595,D00348, Isotretinoin (USP), Retinoids for treatment of acne,D10BA01,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-XFYACQKRSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",-4.9006,-4.7303,-1.3286,-0.9292,-0.5684,-0.5492,0.5175,0.5387,0.5495,0.705,2.3739,D00348_D10BA01,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.919,2.0669999999999997,0,1.0,8.43747e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D00348
2596,D04636, Isotretinoin anisatil (USAN), Retinoids for topical use in acne,D10AD04,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C\C(=O)OCC(=O)c1ccc(cc1)OC)/C)/C,448.594,6.9527,135.81,52.6,40,0,4,YDBCQZCJDPGBBE-BVYOMHTDSA-N,C29H36O4,COc1ccc(cc1)C(=O)COC(=O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-",-4.6786,-3.2455,-2.8208,-1.8328,-1.4891,-1.1822,1.2839,1.3702,1.426,1.4575,1.4866,D04636_D10AD04,10040002000082a40200020040020000000000800040520000000080001420001600400000804001000a020820000100010002009020092420000082000002080c00080001040401000002200280020080c000400000004840081800000000014204000000000402010000004010004000020100090100200808040100040400,14000000703005,1b0002000000010000009000000000000001000000000000000000000000000000000240437800,0000000000000200820a001004982de48858b7d71e,0,6,57,7,0,10,69,70,-8.18,-1.056,0,1.0,0.976372004,+,2.1430000000000002,-,2.1430000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D04636
2597,D04636, Isotretinoin anisatil (USAN), Retinoids for treatment of acne,D10BA01,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C\C(=O)OCC(=O)c1ccc(cc1)OC)/C)/C,448.594,6.9527,135.81,52.6,40,0,4,YDBCQZCJDPGBBE-BVYOMHTDSA-N,C29H36O4,COc1ccc(cc1)C(=O)COC(=O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C,"InChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-",-4.7264,-3.2262,-2.8208,-1.483,-1.4651,-1.2264,0.9737,1.3311,1.3509,1.4403,1.4757,D04636_D10BA01,10040002000082a40200020040020000000000800040520000000080001420001600400000804001000a020820000100010002009020092420000082000002080c00080001040401000002200280020080c000400000004840081800000000014204000000000402010000004010004000020100090100200808040100040400,14000000703005,1b0002000000010000009000000000000001000000000000000000000000000000000240437800,0000000000000200820a001004982de48858b7d71e,0,6,57,7,0,10,69,70,-8.18,-1.056,0,1.0,0.976372004,+,2.1430000000000002,-,2.1430000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D04636
2598,D05082, Motretinide (USAN/INN), Retinoids for topical use in acne,D10AD05,DERMATOLOGICALS,c1(c(cc(c(c1C)/C=C/C(=C/C=C/C(=C/C(=O)NCC)/C)/C)C)OC)C,353.49800000000005,5.6094,112.38,38.33,34,1,3,IYIYMCASGKQOCZ-DJRRULDNSA-N,C23H31NO2,CCNC(=O)C=C(C=CC=C(C=Cc1c(C)cc(c(c1C)C)OC)C)C,"InChI=1S/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)/b11-9+,13-12+,16-10+,17-14+",-4.685,-4.1791,-3.8514,-2.1787,-1.0272,-0.955,0.6004,0.6072,0.7582,1.0683,1.58,D05082_D10AD05,000200010000800401002e08004340000000004000204a00000000800000000118004000018000400006000810001000000202008000090000014002000400200c200000030000010000212002800000008000400000240040081000000100010004000080001482010000000110004200060100080300200880044000040800,0400000050b001,1100020000000000000080000a0000000001000000000000000000000000000000000240437800,0000000000000200000802180c20136000d0f0ff1f,0,6,46,5,0,8,57,57,-8.28,-1.0290000000000001,0,0.0,0.930091619,+,0.6882,-,0.6882,https://www.genome.jp/dbget-bin/www_bget?dr:D05082
2599,D03093, Benzoyl peroxide (JAN/USP), Peroxides,D10AE01,DERMATOLOGICALS,O(C(=O)c1ccccc1)OC(=O)c1ccccc1,242.227,2.6154,63.715,52.6,14,0,4,OMPJBNCRMGITSC-UHFFFAOYSA-N,C14H10O4,O=C(c1ccccc1)OOC(=O)c1ccccc1,InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,-4.2728,-4.2577,-1.3803,-1.3662,-1.0062,-1.0061,0.5276,0.529,0.5328,0.5329999999999999,1.0423,D03093_D10AE01,00000001000000c00000020000000000000000000400000400000080000000000400400000010000200a02080000000100000000000200000000000200001800280008000000000080000000008010000080004000000000400a0000004100000000004000000000004000000000000000020100000100000008400000000001,04000000003401,000000000008000000008000000000000001000000000000000000000000000000000240402000,0000000000000000800000002000002c800803521e,0,12,15,2,0,5,28,29,-10.604000000000001,-1.089,0,,0.135126412,+,0.4652,+,0.4652,https://www.genome.jp/dbget-bin/www_bget?dr:D03093
2600,D00277, Clindamycin (USAN/INN), Antiinfectives for treatment of acne,D10AF01,DERMATOLOGICALS,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-5.9689,-5.0822,-4.6711,-4.6583,-4.3722,-3.8467,2.2667,2.4851,2.5973,2.7134,2.9673,D00277_D10AF01,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.485,-4.221,10,,0.002415626,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D00277
2601,D00277, Clindamycin (USAN/INN), Antibiotics,G01AA10,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-5.9905,-5.1235,-4.6557,-4.6509,-4.3568,-3.8156,2.3666,2.4541,2.6353,2.6928,2.912,D00277_G01AA10,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.485,-4.221,10,,0.002415626,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D00277
2602,D00277, Clindamycin (USAN/INN), Lincosamides,J01FF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-5.9513,-5.0756,-4.6596,-4.6402,-4.3286,-3.8391,2.2611,2.5167,2.5749,2.6966,2.9365,D00277_J01FF01,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.485,-4.221,10,,0.002415626,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D00277
2603,D01073, Clindamycin phosphate (JP17/USP), Antiinfectives for treatment of acne,D10AF01,DERMATOLOGICALS,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OP(=O)(O)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,505.971,1.0495,123.055,185.1,43,6,10,UFUVLHLTWXBHGZ-JKNURMDQSA-O,C18H35ClN2O8PS+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)OP(=O)(O)O)C(Cl)C)C,"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/p+1/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",-10.5656,-10.5609,-10.2439,-7.5026,-6.0227,-4.9887,3.0441,3.0771,3.4224,3.4769,5.0488,D01073_D10AF01,00ba8307004042011500040000120008250041100000800600202808010400101800300e91150017300f143420000000035200000020c0110001200020000e34089a0b0008509880202e96011a88010610b00b4000102000804000038040a004200000200040000010200800c4007884000f1185100510000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000010200000000437c02a04,00000010008431819044b7dfebeebe6ba77dfeff1d,0,0,65,2,0,10,66,67,-2.101,-0.8170000000000001,10,,1.11441e-12,-,1.3759,-,1.3759,https://www.genome.jp/dbget-bin/www_bget?dr:D01073
2604,D01073, Clindamycin phosphate (JP17/USP), Antibiotics,G01AA10,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OP(=O)(O)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,505.971,1.0495,123.055,185.1,43,6,10,UFUVLHLTWXBHGZ-JKNURMDQSA-O,C18H35ClN2O8PS+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)OP(=O)(O)O)C(Cl)C)C,"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/p+1/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",-10.6196,-10.5496,-10.2296,-7.502999999999999,-5.9922,-5.0091,3.0017,3.0128,3.3185,3.5028,5.053,D01073_G01AA10,00ba8307004042011500040000120008250041100000800600202808010400101800300e91150017300f143420000000035200000020c0110001200020000e34089a0b0008509880202e96011a88010610b00b4000102000804000038040a004200000200040000010200800c4007884000f1185100510000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000010200000000437c02a04,00000010008431819044b7dfebeebe6ba77dfeff1d,0,0,65,2,0,10,66,67,-2.101,-0.8170000000000001,10,,1.11441e-12,-,1.3759,-,1.3759,https://www.genome.jp/dbget-bin/www_bget?dr:D01073
2605,D01073, Clindamycin phosphate (JP17/USP), Lincosamides,J01FF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OP(=O)(O)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,505.971,1.0495,123.055,185.1,43,6,10,UFUVLHLTWXBHGZ-JKNURMDQSA-O,C18H35ClN2O8PS+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)OP(=O)(O)O)C(Cl)C)C,"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/p+1/t9-,10-,11+,12+,13-,14+,15-,16-,18-/m1/s1",-10.5659,-10.5625,-10.2528,-7.5221,-6.0385,-5.0726,3.0234,3.0286,3.3760000000000003,3.4787,5.0533,D01073_J01FF01,00ba8307004042011500040000120008250041100000800600202808010400101800300e91150017300f143420000000035200000020c0110001200020000e34089a0b0008509880202e96011a88010610b00b4000102000804000038040a004200000200040000010200800c4007884000f1185100510000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000010200000000437c02a04,00000010008431819044b7dfebeebe6ba77dfeff1d,0,0,65,2,0,10,66,67,-2.101,-0.8170000000000001,10,,1.11441e-12,-,1.3759,-,1.3759,https://www.genome.jp/dbget-bin/www_bget?dr:D01073
2606,D01990, Clindamycin palmitate hydrochloride (JA, Antiinfectives for treatment of acne,D10AF01,DERMATOLOGICALS,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OC(=O)CCCCCCCCCCCCCCC)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,664.4,6.9647,189.18,134.83,72,4,8,OYSKUZDIHNKWLV-OIYUKZNBSA-O,C34H64ClN2O6S+,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(C1O)O)C(C(Cl)C)NC(=O)C1CC(C[NH+]1C)CCC,"InChI=1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/p+1/t24-,25-,26+,28+,29-,30+,31-,32-,34-/m1/s1",-5.9902,-5.047,-4.651,-4.584,-4.351,-4.3369,2.2147,2.5751,2.5915,2.6344,2.8371,D01990_D10AF01,003a8307004002000b00040000120008212000100000800000202808010400101800300e91058017300f143020000000010200000020c011000120000000863408900b0018509880002e94811a88010610b00b4000302000804000030020a004600000200000000010200000c000788400071184090510000050000170000700,0500002c30e105,8728400204010040000090000a0000000000000000000000000000000000000000000437c02a05,00000000000031818044b7dfcb6cbee7ad7dfeff1d,0,0,107,2,0,24,108,109,-10.33,-4.175,10,1.0,0.054426786,-,4.5933,-,4.5933,https://www.genome.jp/dbget-bin/www_bget?dr:D01990
2607,D01990, Clindamycin palmitate hydrochloride (JA, Antibiotics,G01AA10,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OC(=O)CCCCCCCCCCCCCCC)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,664.4,6.9647,189.18,134.83,72,4,8,OYSKUZDIHNKWLV-OIYUKZNBSA-O,C34H64ClN2O6S+,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(C1O)O)C(C(Cl)C)NC(=O)C1CC(C[NH+]1C)CCC,"InChI=1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/p+1/t24-,25-,26+,28+,29-,30+,31-,32-,34-/m1/s1",-5.9851,-5.0571,-4.6581,-4.6106,-4.3882,-4.3627,2.0849,2.494,2.5988,2.7054,2.8723,D01990_G01AA10,003a8307004002000b00040000120008212000100000800000202808010400101800300e91058017300f143020000000010200000020c011000120000000863408900b0018509880002e94811a88010610b00b4000302000804000030020a004600000200000000010200000c000788400071184090510000050000170000700,0500002c30e105,8728400204010040000090000a0000000000000000000000000000000000000000000437c02a05,00000000000031818044b7dfcb6cbee7ad7dfeff1d,0,0,107,2,0,24,108,109,-10.33,-4.175,10,1.0,0.054426786,-,4.5933,-,4.5933,https://www.genome.jp/dbget-bin/www_bget?dr:D01990
2608,D01990, Clindamycin palmitate hydrochloride (JA, Lincosamides,J01FF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)OC(=O)CCCCCCCCCCCCCCC)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,664.4,6.9647,189.18,134.83,72,4,8,OYSKUZDIHNKWLV-OIYUKZNBSA-O,C34H64ClN2O6S+,CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(C1O)O)C(C(Cl)C)NC(=O)C1CC(C[NH+]1C)CCC,"InChI=1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/p+1/t24-,25-,26+,28+,29-,30+,31-,32-,34-/m1/s1",-6.0726,-5.0595,-4.6198,-4.5648,-4.5097,-4.3863,2.0676,2.1532,2.6234,2.6402,3.0219,D01990_J01FF01,003a8307004002000b00040000120008212000100000800000202808010400101800300e91058017300f143020000000010200000020c011000120000000863408900b0018509880002e94811a88010610b00b4000302000804000030020a004600000200000000010200000c000788400071184090510000050000170000700,0500002c30e105,8728400204010040000090000a0000000000000000000000000000000000000000000437c02a05,00000000000031818044b7dfcb6cbee7ad7dfeff1d,0,0,107,2,0,24,108,109,-10.33,-4.175,10,1.0,0.054426786,-,4.5933,-,4.5933,https://www.genome.jp/dbget-bin/www_bget?dr:D01990
2609,D02132, Clindamycin hydrochloride (JP17/USP), Antiinfectives for treatment of acne,D10AF01,DERMATOLOGICALS,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-5.9686,-5.1019,-4.6554,-4.6287,-4.355,-3.8263,2.3809,2.3946,2.6016,2.6734,2.946,D02132_D10AF01,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.484000000000002,-4.2219999999999995,10,0.0,0.002415384,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D02132
2610,D02132, Clindamycin hydrochloride (JP17/USP), Antibiotics,G01AA10,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-6.0318,-5.0251,-4.6536,-4.6366,-4.3263,-3.8560000000000003,2.3843,2.4428,2.6129,2.6872,2.8594,D02132_G01AA10,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.484000000000002,-4.2219999999999995,10,0.0,0.002415384,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D02132
2611,D02132, Clindamycin hydrochloride (JP17/USP), Lincosamides,J01FF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)[C@@H](NC(=O)[C@H]1[N@@H+](C[C@@H](C1)CCC)C)[C@H](Cl)C,425.991,0.9325,112.145,128.76,41,5,7,KDLRVYVGXIQJDK-WPMZVPFKSA-O,C18H34ClN2O5S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)C,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/p+1/t9-,10-,11+,12+,13+,14-,15-,16-,18-/m1/s1",-5.9917,-5.0918,-4.6511,-4.6248,-4.3269,-3.8081,2.3536,2.532,2.6129,2.6748,2.8275,D02132_J01FF01,003a8307004002000100040000120008210000100000800000202808010400101800300e910500173007143020000000010200000020c011000120000000043408900b0008509880002e94011a88010610b00b4000102000804000030000a004200000200000000010200000c000788400051184000010000050000170000700,0500002c30e101,8728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7dfcb6cbe43257dfeff1d,0,0,61,1,0,8,61,62,-10.484000000000002,-4.2219999999999995,10,0.0,0.002415384,-,0.9909,-,0.9909,https://www.genome.jp/dbget-bin/www_bget?dr:D02132
2612,D00140, Erythromycin (JP17/USP/INN), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0576,-4.6312,-4.5851,-4.5813,-4.2593,-3.1519999999999997,1.9763,2.2438,2.3213,2.4747,2.5421,D00140_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.956,-3.9189999999999996,18,-1.0,0.000202319,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D00140
2613,D00140, Erythromycin (JP17/USP/INN), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0335,-4.6043,-4.5591,-4.5004,-4.4131,-3.9135,1.9335,2.022,2.1035,2.2614,2.295,D00140_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.956,-3.9189999999999996,18,-1.0,0.000202319,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D00140
2614,D00140, Erythromycin (JP17/USP/INN), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0475,-4.6941,-4.6317,-4.5886,-4.5737,-3.2097,1.889,1.9218,1.9280000000000002,1.9901,2.3098,D00140_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.956,-3.9189999999999996,18,-1.0,0.000202319,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D00140
2615,D00851, Erythromycin estolate (USP), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-6.0283,-4.8219,-4.7737,-4.5988,-4.4982,-4.0229,2.0294,2.1325,2.2149,2.4059,2.4856,D00851_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.918,-4.148,18,1.0,0.001074689,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D00851
2616,D00851, Erythromycin estolate (USP), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-6.0537,-4.7616,-4.6176,-4.5533,-4.2717,-3.698,1.9525,1.9821,2.02,2.3999,2.4461,D00851_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.918,-4.148,18,1.0,0.001074689,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D00851
2617,D00851, Erythromycin estolate (USP), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-6.086,-4.8682,-4.8032,-4.4863,-4.4098,-4.4085,2.003,2.0469,2.0866,2.3926,2.6861,D00851_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.918,-4.148,18,1.0,0.001074689,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D00851
2618,D01361, Erythromycin ethylsuccinate (JP17/USP), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CCC(=O)OCC,863.061,1.2627,220.868,227.48,92,5,16,NSYZCCDSJNWWJL-YXOIYICCSA-O,C43H76NO16+,CCOC(=O)CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/p+1/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1",-6.1465,-4.6160000000000005,-4.434,-4.4272,-4.3582,-3.957,1.9523,2.0256,2.1148,2.1845,2.2703,D01361_D10AF02,000200000000e2000a00040002020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000100000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793d8aee69d5dffff1d,0,0,134,4,0,14,136,138,-11.883,-4.279,18,0.0,0.00226949,+,8.4449,-,8.4449,https://www.genome.jp/dbget-bin/www_bget?dr:D01361
2619,D01361, Erythromycin ethylsuccinate (JP17/USP), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CCC(=O)OCC,863.061,1.2627,220.868,227.48,92,5,16,NSYZCCDSJNWWJL-YXOIYICCSA-O,C43H76NO16+,CCOC(=O)CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/p+1/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1",-6.062,-4.7074,-4.6319,-4.5621,-4.4906,-4.4858,2.0426,2.0679,2.0747,2.3347,2.34,D01361_J01FA01,000200000000e2000a00040002020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000100000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793d8aee69d5dffff1d,0,0,134,4,0,14,136,138,-11.883,-4.279,18,0.0,0.00226949,+,8.4449,-,8.4449,https://www.genome.jp/dbget-bin/www_bget?dr:D01361
2620,D01361, Erythromycin ethylsuccinate (JP17/USP), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CCC(=O)OCC,863.061,1.2627,220.868,227.48,92,5,16,NSYZCCDSJNWWJL-YXOIYICCSA-O,C43H76NO16+,CCOC(=O)CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/p+1/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1",-6.0925,-4.8251,-4.5731,-4.569,-4.4263,-4.3889,2.0444,2.0724,2.2169,2.3811,2.512,D01361_S01AA17,000200000000e2000a00040002020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000100000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793d8aee69d5dffff1d,0,0,134,4,0,14,136,138,-11.883,-4.279,18,0.0,0.00226949,+,8.4449,-,8.4449,https://www.genome.jp/dbget-bin/www_bget?dr:D01361
2621,D02009, Erythromycin lactobionate (JP17/USP), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0257,-4.5825,-4.5801,-4.4955,-4.4921,-3.1878,1.9503,1.9872,2.097,2.1614,2.2026,D02009_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.918,18,,0.00018863299999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02009
2622,D02009, Erythromycin lactobionate (JP17/USP), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-5.9962,-4.605,-4.5749,-4.5277,-4.4485,-3.1712,2.0933,2.0974,2.114,2.1536,2.1829,D02009_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.918,18,,0.00018863299999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02009
2623,D02009, Erythromycin lactobionate (JP17/USP), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-4.6066,-4.578,-4.474,-4.4088,-3.2675,-3.22,2.2043,2.2901,2.3251,2.3364,2.5469999999999997,D02009_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.918,18,,0.00018863299999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02009
2624,D02184, Erythromycin stearate (JP17/USP), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.1343,-4.6545,-4.5843,-4.5686,-4.4003,-3.1474,2.156,2.2349,2.3396,2.515,2.5956,D02184_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9189999999999996,18,-2.0,0.000186522,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02184
2625,D02184, Erythromycin stearate (JP17/USP), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-5.9901,-4.5997,-4.5978,-4.5069,-4.4001,-3.1805,2.009,2.0391,2.0935,2.319,2.4687,D02184_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9189999999999996,18,-2.0,0.000186522,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02184
2626,D02184, Erythromycin stearate (JP17/USP), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-4.6357,-4.5746,-4.5001,-4.4357,-3.1521,-3.0755,2.033,2.1855,2.2578,2.3894,2.6022,D02184_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9189999999999996,18,-2.0,0.000186522,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02184
2627,D02523, Erythromycin acistrate (USAN), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)C,776.971,0.9393,200.355,201.18,84,5,14,CVBHEIRZLPKMSH-SNWVVRALSA-O,C39H70NO14+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2OC(=O)C)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C39H69NO14/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3/p+1/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-/m1/s1",-4.9423,-4.2207,-4.0683,-3.8729,-3.8296,-3.5443,2.4142,2.4639,2.5038,2.5744,3.1765,D02523_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,123,3,0,9,124,126,-11.886,-4.087,18,0.0,0.0009824360000000002,+,6.7658,-,6.7658,https://www.genome.jp/dbget-bin/www_bget?dr:D02523
2628,D02523, Erythromycin acistrate (USAN), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)C,776.971,0.9393,200.355,201.18,84,5,14,CVBHEIRZLPKMSH-SNWVVRALSA-O,C39H70NO14+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2OC(=O)C)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C39H69NO14/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3/p+1/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-/m1/s1",-6.0764,-4.5343,-4.4223,-4.4037,-4.2487,-4.1839,1.8435,1.9345,1.975,2.0369,2.0486,D02523_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,123,3,0,9,124,126,-11.886,-4.087,18,0.0,0.0009824360000000002,+,6.7658,-,6.7658,https://www.genome.jp/dbget-bin/www_bget?dr:D02523
2629,D02523, Erythromycin acistrate (USAN), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)C,776.971,0.9393,200.355,201.18,84,5,14,CVBHEIRZLPKMSH-SNWVVRALSA-O,C39H70NO14+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2OC(=O)C)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C39H69NO14/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3/p+1/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-/m1/s1",-6.0344,-4.592,-4.5745,-4.4412,-4.4348,-3.8159,1.8459999999999999,1.921,2.0232,2.0277,2.2628,D02523_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,123,3,0,9,124,126,-11.886,-4.087,18,0.0,0.0009824360000000002,+,6.7658,-,6.7658,https://www.genome.jp/dbget-bin/www_bget?dr:D02523
2630,D02524, Erythromycin gluceptate (USP), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0458,-4.6249,-4.6091,-4.5454,-4.5208,-3.1576,1.8732,2.0184,2.4128,2.4171,2.5192,D02524_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.92,18,,0.000201969,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02524
2631,D02524, Erythromycin gluceptate (USP), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0439,-4.5926,-4.5742,-4.4094,-4.0736,-3.1374,2.0007,2.0869999999999997,2.0886,2.2049,2.59,D02524_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.92,18,,0.000201969,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02524
2632,D02524, Erythromycin gluceptate (USP), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0385,-4.6316,-4.5894,-4.5793,-4.4409,-3.148,1.8488,1.87,1.9988,2.0275,2.5334,D02524_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.92,18,,0.000201969,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D02524
2633,D02525, Erythromycin propionate (USAN), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-5.9497,-4.7685,-4.708,-4.7003,-4.4989,-4.3799,2.0937,2.2496,2.3619,2.5627,2.6712,D02525_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.901,-4.221,18,0.0,0.001070653,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D02525
2634,D02525, Erythromycin propionate (USAN), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-6.0316,-4.6282,-4.6048,-4.601,-4.4483,-3.9988,1.8832,1.9487,1.9904,2.1953,2.3344,D02525_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.901,-4.221,18,0.0,0.001070653,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D02525
2635,D02525, Erythromycin propionate (USAN), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)CC,790.998,1.3294,205.162,201.18,86,5,14,TYQXKHPOXXXCTP-CSLYCKPJSA-O,C40H72NO14+,CCC(=O)OC1C(OC(CC1[NH+](C)C)C)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/p+1/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1",-6.026,-4.6699,-4.4707,-4.4425,-4.4088,-4.3404,1.9809999999999999,2.0887,2.2353,2.2638,2.3088,D02525_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400101000000880000017000a0010200010000100000000a0c011000000000000a60008902a000810000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000070180080710000000000140000500,1500006c30e005,07e84002040181400000b000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,126,3,0,10,127,129,-11.901,-4.221,18,0.0,0.001070653,+,6.8346,-,6.8346,https://www.genome.jp/dbget-bin/www_bget?dr:D02525
2636,D04054, Erythromycin salnacedin (USAN), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0804,-4.9509,-4.6187,-4.4204,-3.9394,-3.1412,2.015,2.3734,2.3738,2.5409,2.6457,D04054_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.952,-3.9189999999999996,18,,0.000188652,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D04054
2637,D04054, Erythromycin salnacedin (USAN), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.042999999999999,-4.5955,-4.5891,-4.43,-4.3007,-3.1623,1.9031,1.9327,2.0528,2.0573,2.1117,D04054_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.952,-3.9189999999999996,18,,0.000188652,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D04054
2638,D04054, Erythromycin salnacedin (USAN), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.032,-4.6095,-4.6012,-4.5323,-4.234,-3.1702,1.9101,1.9813,2.2067,2.2979,2.6115,D04054_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.952,-3.9189999999999996,18,,0.000188652,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D04054
2639,D07909, Erythromycin thiocyanate, Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0492,-4.5944,-4.5919,-4.5124,-4.4772,-3.1903,1.8578,1.9542,2.029,2.0655,2.2241,D07909_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.955,-3.917,18,-1.0,0.00018648799999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07909
2640,D07909, Erythromycin thiocyanate, Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.058,-4.6036,-4.4823,-4.3187,-3.8648,-3.8214,2.1759,2.2159,2.2213,2.4495,2.46,D07909_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.955,-3.917,18,-1.0,0.00018648799999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07909
2641,D07909, Erythromycin thiocyanate, Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0565,-4.5796,-4.5747,-4.5147,-4.4834,-3.1615,1.8433,1.9824,2.0761,2.2076,2.4428,D07909_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.955,-3.917,18,-1.0,0.00018648799999999998,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07909
2642,D07910, Erythromycin stinoprate (INN), Antiinfectives for treatment of acne,D10AF02,DERMATOLOGICALS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0186,-4.5983,-4.5776,-4.5038,-4.3387,-3.1795,2.0281,2.0371,2.2149,2.3209999999999997,2.3406,D07910_D10AF02,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9160000000000004,18,0.0,0.000185205,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07910
2643,D07910, Erythromycin stinoprate (INN), Macrolides,J01FA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-5.9975,-4.5873,-4.5769,-4.4877,-4.2627,-3.1778,2.08,2.1458,2.3787,2.3795,2.4731,D07910_J01FA01,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9160000000000004,18,0.0,0.000185205,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07910
2644,D07910, Erythromycin stinoprate (INN), Antibiotics,S01AA17,SENSORY ORGANS,[C@@H]1([C@@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,734.935,0.3685,190.618,195.11,81,6,13,ULGZDMOVFRHVEP-RWJQBGPGSA-O,C37H68NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",-6.0339,-4.6025,-4.5972,-4.5166,-4.4685,-3.1756,1.8766,1.8981,2.0218,2.0966,2.6481,D07910_S01AA17,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a000000100002000000000080028000000002000c0003c8000070100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,119,2,0,7,119,121,-11.954,-3.9160000000000004,18,0.0,0.000185205,-,6.0741,-,6.0741,https://www.genome.jp/dbget-bin/www_bget?dr:D07910
2645,D02476, Meclocycline (USAN/INN), Antiinfectives for treatment of acne,D10AF04,DERMATOLOGICALS,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)C(=C)c2c(C3=O)c(ccc2Cl)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,477.87199999999996,-0.5013,116.921,182.82,31,7,9,GGQJXCQBBONZFX-IWVLMIASSA-O,C22H22ClN2O8+,OC1C2C(=C(C3(C1C([NH+](C)C)C(=C(C3=O)C(=O)N)O)O)O)C(=O)c1c(C2=C)c(Cl)ccc1O,"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/p+1/t10-,14-,15+,17+,22+/m1/s1",-5.9919,-5.7067,-5.2431,-4.5988,-4.5959,-4.2052,2.2073,2.2665,2.2736,2.4872,2.9177,D02476_D10AF04,000ec300000002b402490680024040048000009040625000016600880030200014085400c0c00007d007021801055040012a03001020e50120015002004600a00a210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c110008603a08240800039208a063100021b9022088800c730800700,1500006d02f001,14684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000202003300820a785955a51142b4ecfbfa1f,0,6,46,6,0,2,55,58,-11.5,-5.008,5,,0.0043896759999999995,+,3.2865,-,3.2865,https://www.genome.jp/dbget-bin/www_bget?dr:D02476
2646,D02477, Meclocycline sulfosalicylate (USP), Antiinfectives for treatment of acne,D10AF04,DERMATOLOGICALS,[C@@H]12[C@](C(=C3[C@H]([C@@H]2O)C(=C)c2c(C3=O)c(ccc2Cl)O)O)(C(=O)C(=C([C@H]1[NH+](C)C)O)C(=O)N)O,477.87199999999996,-0.5013,116.921,182.82,31,7,9,GGQJXCQBBONZFX-IWVLMIASSA-O,C22H22ClN2O8+,OC1C2C(=C(C3(C1C([NH+](C)C)C(=C(C3=O)C(=O)N)O)O)O)C(=O)c1c(C2=C)c(Cl)ccc1O,"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/p+1/t10-,14-,15+,17+,22+/m1/s1",-5.9909,-5.7091,-5.2427,-4.5982,-4.5972,-4.2045,2.2067,2.2688,2.2731,2.481,2.9184,D02477_D10AF04,000ec300000002b402490680024040048000009040625000016600880030200014085400c0c00007d007021801055040012a03001020e50120015002004600a00a210800240400800000a1032e89029ec0d8414000023008ca88d80040090491030e0028c110008603a08240800039208a063100021b9022088800c730800700,1500006d02f001,14684002040001008000800006000000c001000000050000000000000000000000004240c07a04,0000000202003300820a785955a51142b4ecfbfa1f,0,6,46,6,0,2,55,58,-11.503,-5.008,5,0.0,0.006453405,+,3.2865,-,3.2865,https://www.genome.jp/dbget-bin/www_bget?dr:D02477
2647,D01147, Nadifloxacin (JAN/INN), Antiinfectives for treatment of acne,D10AF05,DERMATOLOGICALS,c1(c(c2c3c(c1)c(=O)c(cn3[C@H](CC2)C)C(=O)O)N1CC[C@@H](CC1)O)F,360.379,2.3721,99.4641,82.77,25,2,6,JYJTVFIEFKZWCJ-JTQLQIEISA-N,C19H21FN2O4,OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1",-4.8877,-4.743,-3.1306,-3.0206,-3.0149,-2.4165,1.4529,1.8298,2.0811,2.2875,2.3688,D01147_D10AF05,40060020800004c04a80070000805880811004108080008801000080010004001c00508084408021788a0618000110c0010240000804a00804400082008404000f000c00c000020000186000028800000080015004003008c02808c0000950020000000000a0001370e00000031104201806810202431000009a800102400000,0400002c00b023,032840000100000000008800000000004003000000088900000000000000000000004640402804,0000000000020020018470039b45adc7fdefaffb1f,1,11,37,2,0,2,47,50,-4.626,2.336,1,,0.000247525,-,1.6528,-,1.6528,https://www.genome.jp/dbget-bin/www_bget?dr:D01147
2648,D05947, Sulfacetamide (USP/INN), Antiinfectives for treatment of acne,D10AF06,DERMATOLOGICALS,c1(S(=O)(=O)NC(=O)C)ccc(cc1)N,214.24200000000002,2.1465,51.7491,97.64,15,2,5,SKIVFJLNDNKQPD-UHFFFAOYSA-N,C8H10N2O3S,CC(=O)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",-9.9468,-9.367,-9.3521,-6.0887,-5.1056,-5.103,2.4185,2.8189,2.9165,3.0041,3.8682,D05947_D10AF06,600201000000000000000620000400004c000000000000000400000000000002080040080000002000060008000000c0006000000000400000000000002000020000000040002080010000000080000000800060042000004028000000000000001000000000000000000000100008000006b001000000010020800012000000,0400000000b021,010040080000000000008000000000000000000000000000000020000000000000000240402800,000000800100449e1401892920a21008d6204aea1f,0,6,15,3,0,3,24,24,-9.516,-1.3559999999999999,0,0.0,0.005014141,-,0.2676,-,0.2676,https://www.genome.jp/dbget-bin/www_bget?dr:D05947
2649,D05947, Sulfacetamide (USP/INN), Sulfonamides,S01AB04,SENSORY ORGANS,c1(S(=O)(=O)NC(=O)C)ccc(cc1)N,214.24200000000002,2.1465,51.7491,97.64,15,2,5,SKIVFJLNDNKQPD-UHFFFAOYSA-N,C8H10N2O3S,CC(=O)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",-9.9609,-9.3833,-9.3368,-6.091,-5.1043,-5.1026,2.4184,2.8198,2.9196,3.0054,3.8680000000000003,D05947_S01AB04,600201000000000000000620000400004c000000000000000400000000000002080040080000002000060008000000c0006000000000400000000000002000020000000040002080010000000080000000800060042000004028000000000000001000000000000000000000100008000006b001000000010020800012000000,0400000000b021,010040080000000000008000000000000000000000000000000020000000000000000240402800,000000800100449e1401892920a21008d6204aea1f,0,6,15,3,0,3,24,24,-9.516,-1.3559999999999999,0,0.0,0.005014141,-,0.2676,-,0.2676,https://www.genome.jp/dbget-bin/www_bget?dr:D05947
2650,D00871, Sulfacetamide sodium (USP), Antiinfectives for treatment of acne,D10AF06,DERMATOLOGICALS,c1(S(=O)(=O)NC(=O)C)ccc(cc1)N,214.24200000000002,2.1465,51.7491,97.64,14,2,5,SKIVFJLNDNKQPD-UHFFFAOYSA-N,C8H10N2O3S,CC(=O)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",-9.952,-9.3641,-9.3466,-6.0912,-5.1075,-5.1039,2.4191,2.8194,2.9262,3.0081,3.8738,D00871_D10AF06,600201000000000000000620000400004c000000000000000400000000000002080040080000002000060008000000c0006000000000400000000000002000020000000040002080010000000080000000800060042000004028000000000000001000000000000000000000100008000006b001000000010020800012000000,0400000000b021,010040080000000000008000000000000000000000000000000020000000000000000240402800,000000800100449e1401892920a21008d6204aea1f,0,6,15,3,0,3,24,24,-9.516,-7.667999999999999,0,0.0,0.001648291,-,0.2239,-,0.2239,https://www.genome.jp/dbget-bin/www_bget?dr:D00871
2651,D00871, Sulfacetamide sodium (USP), Sulfonamides,S01AB04,SENSORY ORGANS,c1(S(=O)(=O)NC(=O)C)ccc(cc1)N,214.24200000000002,2.1465,51.7491,97.64,14,2,5,SKIVFJLNDNKQPD-UHFFFAOYSA-N,C8H10N2O3S,CC(=O)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",-9.957,-9.3647,-9.3464,-6.0948,-5.1063,-5.1045,2.4202,2.8213,2.9299,3.0092,3.8743,D00871_S01AB04,600201000000000000000620000400004c000000000000000400000000000002080040080000002000060008000000c0006000000000400000000000002000020000000040002080010000000080000000800060042000004028000000000000001000000000000000000000100008000006b001000000010020800012000000,0400000000b021,010040080000000000008000000000000000000000000000000020000000000000000240402800,000000800100449e1401892920a21008d6204aea1f,0,6,15,3,0,3,24,24,-9.516,-7.667999999999999,0,0.0,0.001648291,-,0.2239,-,0.2239,https://www.genome.jp/dbget-bin/www_bget?dr:D00871
2652,D00133, Resorcinol (USP), Other anti-acne preparations for topical use,D10AX02,DERMATOLOGICALS,c1c(cccc1O)O,110.111,1.0978,30.488000000000003,40.46,8,2,2,GHMLBKRAJCXXBS-UHFFFAOYSA-N,C6H6O2,Oc1cccc(c1)O,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",-0.7377,-0.6236,-0.4638,-0.4637,-0.4475,-0.4453,0.4786,0.4787,0.4876,0.4879,0.5256,D00133_D10AX02,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000008020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000001000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000010000000000100000140044480501e,0,6,8,0,0,0,14,14,-9.245,0.441,0,,0.001875854,-,0.2835,-,0.2835,https://www.genome.jp/dbget-bin/www_bget?dr:D00133
2653,D00133, Resorcinol (USP), Other antiinfectives,S01AX06,SENSORY ORGANS,c1c(cccc1O)O,110.111,1.0978,30.488000000000003,40.46,8,2,2,GHMLBKRAJCXXBS-UHFFFAOYSA-N,C6H6O2,Oc1cccc(c1)O,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",-0.7377,-0.6236,-0.4638,-0.4637,-0.4475,-0.4453,0.4786,0.4787,0.4876,0.4879,0.5256,D00133_S01AX06,0000000000000000000002000000000000000000000000000000000000000000000000000000000000000008000000000008020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000001000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000010000000000100000140044480501e,0,6,8,0,0,0,14,14,-9.245,0.441,0,,0.001875854,-,0.2835,-,0.2835,https://www.genome.jp/dbget-bin/www_bget?dr:D00133
2654,D02393, Resorcinol monoacetate (USP), Other anti-acne preparations for topical use,D10AX02,DERMATOLOGICALS,c1c(cccc1O)OC(=O)C,152.14700000000002,1.3175,39.964,46.53,11,1,3,ZZPKZRHERLGEKA-UHFFFAOYSA-N,C8H8O3,CC(=O)Oc1cccc(c1)O,"InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3",-4.4161,-1.5829,-0.8506,-0.5318,-0.5017,-0.47700000000000004,0.4789,0.4875,0.5111,0.6393,0.6918,D02393_D10AX02,00000010000000000000020000020100000000000000000000000000000000000000000000000010000a0008000000000008020000000000000000000000020008000800010001010000000002888000008000400000000040080000000000000000000000000042000000000010000000020000080000200800000001000004,0400000452b005,010000000000000000009000000000000000000000010000000000000000000000000200402801,00000000000000000000000100000164004482d21e,0,6,12,1,0,2,19,19,-9.527999999999999,0.14,0,-1.0,0.00729642,-,0.231,-,0.231,https://www.genome.jp/dbget-bin/www_bget?dr:D02393
2655,D02393, Resorcinol monoacetate (USP), Other antiinfectives,S01AX06,SENSORY ORGANS,c1c(cccc1O)OC(=O)C,152.14700000000002,1.3175,39.964,46.53,11,1,3,ZZPKZRHERLGEKA-UHFFFAOYSA-N,C8H8O3,CC(=O)Oc1cccc(c1)O,"InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3",-4.4233,-1.5831,-0.8518,-0.5325,-0.4979,-0.4759,0.4787,0.4877,0.509,0.6399,0.6929,D02393_S01AX06,00000010000000000000020000020100000000000000000000000000000000000000000000000010000a0008000000000008020000000000000000000000020008000800010001010000000002888000008000400000000040080000000000000000000000000042000000000010000000020000080000200800000001000004,0400000452b005,010000000000000000009000000000000000000000010000000000000000000000000200402801,00000000000000000000000100000164004482d21e,0,6,12,1,0,2,19,19,-9.527999999999999,0.14,0,-1.0,0.00729642,-,0.231,-,0.231,https://www.genome.jp/dbget-bin/www_bget?dr:D02393
2656,D03034, Azelaic acid (USAN/INN), Other anti-acne preparations for topical use,D10AX03,DERMATOLOGICALS,C(=O)(CCCCCCCC(=O)O)O,188.22099999999998,1.8863,48.9206,74.6,18,2,4,BDJRBEYXGGNYIS-UHFFFAOYSA-N,C9H16O4,OC(=O)CCCCCCCC(=O)O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",-4.5684,-4.5593,-4.4251,-4.4242,-1.3336,-1.3327,0.5474,0.6715,2.3663,2.3698,2.4111,D03034_D10AX03,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000800008800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,020000000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000000006800020848d0c065608,0,0,26,2,0,8,29,28,-2.675,8.895,0,,,-,1.1435,-,1.1435,https://www.genome.jp/dbget-bin/www_bget?dr:D03034
2657,D00592, Dapsone (USP), Other anti-acne preparations for topical use,D10AX05,DERMATOLOGICALS,S(=O)(=O)(c1ccc(cc1)N)c1ccc(cc1)N,248.301,3.927,67.1888,94.56,16,2,4,MQJKPEGWNLWLTK-UHFFFAOYSA-N,C12H12N2O2S,Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",-8.5005,-8.494,-5.1047,-5.1039,-5.1037,-5.1035,1.2829,1.2882,1.2904,1.369,1.3691,D00592_D10AX05,2000010000000000000006000002000040008000000000000000000000000000090000080000802000000008000000c00020000000002000000000000010000400000000400020800000000000000000008000200420000040080000000000000000000000000000000000000000040000029000000002000022800002000000,0000000000b121,000040080000000000000000000000000000000000000000800000000000000000000240402000,000000000000449e0401890020800008d62049681f,0,12,16,2,0,2,29,30,-9.125,-0.695,0,1.0,0.083536826,-,0.3821,-,0.3821,https://www.genome.jp/dbget-bin/www_bget?dr:D00592
2658,D00592, Dapsone (USP), Drugs for treatment of lepra,J04BA02,ANTIINFECTIVES FOR SYSTEMIC USE,S(=O)(=O)(c1ccc(cc1)N)c1ccc(cc1)N,248.301,3.927,67.1888,94.56,16,2,4,MQJKPEGWNLWLTK-UHFFFAOYSA-N,C12H12N2O2S,Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",-8.4977,-8.4963,-5.1048,-5.1046,-5.1044,-5.1041,1.284,1.2847,1.2855,1.3686,1.3687,D00592_J04BA02,2000010000000000000006000002000040008000000000000000000000000000090000080000802000000008000000c00020000000002000000000000010000400000000400020800000000000000000008000200420000040080000000000000000000000000000000000000000040000029000000002000022800002000000,0000000000b121,000040080000000000000000000000000000000000000000800000000000000000000240402000,000000000000449e0401890020800008d62049681f,0,12,16,2,0,2,29,30,-9.125,-0.695,0,1.0,0.083536826,-,0.3821,-,0.3821,https://www.genome.jp/dbget-bin/www_bget?dr:D00592
2659,D03127, Biphenamine hydrochloride (USAN), Medicated shampoos,D11AC09,DERMATOLOGICALS,c1(cccc(c1O)C(=O)OCC[NH+](CC)CC)c1ccccc1,314.399,2.1407,93.3692,50.97,27,2,3,HLDCSYXMVXILQC-UHFFFAOYSA-O,C19H24NO3+,CC[NH+](CCOC(=O)c1cccc(c1O)c1ccccc1)CC,"InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3/p+1",-6.0183,-4.5781,-4.5531,-4.4948,-4.2235,-2.9,1.5831,1.5906,1.6899,1.8133,1.9235,D03127_D11AC09,00020000040200c00000060000420110410000000000081000200080000400000440400000000012200a022800000000000002400000000400100002000806100820080a081000000000010002800000008000400010200040080000000100000008000000000002004002009100000000060180000300200808000000200000,0500000432f005,01004002040000000000900000000000c001000000010000000000000000000000000240c03200,00000000000001200000324188582b660dc6fff71f,0,12,35,1,0,8,47,48,-11.124,-4.28,0,,0.015662061,+,0.3619,-,0.3619,https://www.genome.jp/dbget-bin/www_bget?dr:D03127
2660,D08556, Tacrolimus (INN)," Agents for dermatitis, excluding corticosteroids",D11AH01,DERMATOLOGICALS,C(=C\[C@@H]1CC[C@H]([C@@H](C1)OC)O)(/[C@@H]1[C@@H]([C@H](CC(=O)[C@@H](/C=C(\C)/C[C@H](C)C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1)C)OC)OC)CC=C)O)C)\C,804.018,4.5769,220.303,178.36,82,3,13,QJJXYPPXXYFBGM-LFZNUXCKSA-N,C44H69NO12,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",-4.4034,-4.2636,-4.238,-4.1772,-3.4936,-3.3855,2.137,2.1856,2.335,2.4576,2.8883,D08556_D11AH01,10228000004022240b00048000020000210000b00040c00000040000011420101c00100880800017100e041020010000012200001020c033000000800000a2100890282808140880020088022a80021600f0415000202040a800100140200004420400284028000200082000c0003d8000078180000190000050008140000500,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a402805,00000000020002018008105b8fe9bce78d5dbfff1d,0,0,122,7,0,7,126,129,-9.302999999999999,-0.171,14,1.0,0.919408917,+,6.9726,-,6.9726,https://www.genome.jp/dbget-bin/www_bget?dr:D08556
2661,D08556, Tacrolimus (INN), Calcineurin inhibitors,L04AD02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C\[C@@H]1CC[C@H]([C@@H](C1)OC)O)(/[C@@H]1[C@@H]([C@H](CC(=O)[C@@H](/C=C(\C)/C[C@H](C)C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1)C)OC)OC)CC=C)O)C)\C,804.018,4.5769,220.303,178.36,82,3,13,QJJXYPPXXYFBGM-LFZNUXCKSA-N,C44H69NO12,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",-4.4212,-4.2939,-4.2343,-4.1989,-3.5069,-3.3841,2.1149,2.2236,2.3480000000000003,2.3557,2.9399,D08556_L04AD02,10228000004022240b00048000020000210000b00040c00000040000011420101c00100880800017100e041020010000012200001020c033000000800000a2100890282808140880020088022a80021600f0415000202040a800100140200004420400284028000200082000c0003d8000078180000190000050008140000500,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a402805,00000000020002018008105b8fe9bce78d5dbfff1d,0,0,122,7,0,7,126,129,-9.302999999999999,-0.171,14,1.0,0.919408917,+,6.9726,-,6.9726,https://www.genome.jp/dbget-bin/www_bget?dr:D08556
2662,D00107, Tacrolimus (USAN/INN)," Agents for dermatitis, excluding corticosteroids",D11AH01,DERMATOLOGICALS,C(=C\[C@@H]1CC[C@H]([C@@H](C1)OC)O)(/[C@@H]1[C@@H]([C@H](CC(=O)[C@@H](/C=C(\C)/C[C@H](C)C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1)C)OC)OC)CC=C)O)C)\C,804.018,4.5769,220.303,178.36,82,3,13,QJJXYPPXXYFBGM-LFZNUXCKSA-N,C44H69NO12,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",-4.4197,-4.279,-4.2421,-4.1991,-3.5071,-3.3992,2.164,2.2173,2.3492,2.3497,2.9332,D00107_D11AH01,10228000004022240b00048000020000210000b00040c00000040000011420101c00100880800017100e041020010000012200001020c033000000800000a2100890282808140880020088022a80021600f0415000202040a800100140200004420400284028000200082000c0003d8000078180000190000050008140000500,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a402805,00000000020002018008105b8fe9bce78d5dbfff1d,0,0,122,7,0,7,126,129,-9.286,-0.17600000000000002,14,,0.919069767,+,6.9726,-,6.9726,https://www.genome.jp/dbget-bin/www_bget?dr:D00107
2663,D00107, Tacrolimus (USAN/INN), Calcineurin inhibitors,L04AD02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C\[C@@H]1CC[C@H]([C@@H](C1)OC)O)(/[C@@H]1[C@@H]([C@H](CC(=O)[C@@H](/C=C(\C)/C[C@H](C)C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1)C)OC)OC)CC=C)O)C)\C,804.018,4.5769,220.303,178.36,82,3,13,QJJXYPPXXYFBGM-LFZNUXCKSA-N,C44H69NO12,C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",-4.4603,-4.3221,-4.3123,-4.2157,-3.5142,-3.3997,2.1873,2.2135,2.3486,2.4057,2.9259,D00107_L04AD02,10228000004022240b00048000020000210000b00040c00000040000011420101c00100880800017100e041020010000012200001020c033000000800000a2100890282808140880020088022a80021600f0415000202040a800100140200004420400284028000200082000c0003d8000078180000190000050008140000500,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a402805,00000000020002018008105b8fe9bce78d5dbfff1d,0,0,122,7,0,7,126,129,-9.286,-0.17600000000000002,14,,0.919069767,+,6.9726,-,6.9726,https://www.genome.jp/dbget-bin/www_bget?dr:D00107
2664,D05480, Pimecrolimus (JAN/USAN/INN)," Agents for dermatitis, excluding corticosteroids",D11AH02,DERMATOLOGICALS,[C@@H]1(C[C@H]([C@H](CC1)Cl)OC)/C=C(/[C@@H]1[C@@H]([C@H](CC(=O)[C@@H](/C=C(/C[C@@H](C[C@@H]([C@H]2O[C@@](C(=O)C(=O)N3[C@H](C(=O)O1)CCCC3)([C@@H](C[C@@H]2OC)C)O)OC)C)\C)CC)O)C)\C,810.453,5.6573,219.605,158.13,80,2,12,KASDHRXLYQOAKZ-XDSKOBMDSA-N,C43H68ClNO11,CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)Cl)C)CCCC2,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",-4.4097,-4.2935,-4.2774,-4.2464,-3.4934,-3.4079,2.1583,2.211,2.351,2.4745,2.9182,D05480_D11AH02,102a8200004022240b00040000028000210000b00040c00000040008011420101c00100880800017100f041020010000012200001020c033000000800000a2100890282808140880020088022a80021600f0015000202040a800100140200004420400284028000200082000c0003c8200078180000190000050008140000f00,1400022c30a005,97a80000000001410000a00020000000000000000000000000000000000000000000c47a402805,00000000000002018008505bcfedbee7ad5dbfff1d,0,0,121,6,0,6,124,127,-9.385,-0.12,14,0.0,0.9543822409999999,+,6.7979,-,6.7979,https://www.genome.jp/dbget-bin/www_bget?dr:D05480
2665,D02815, Alitretinoin (USAN)," Agents for dermatitis, excluding corticosteroids",D11AH04,DERMATOLOGICALS,C1(=C(CCCC1(C)C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-ZVCIMWCZSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",-4.9058,-4.7149,-1.3251,-0.9313,-0.5676,-0.5585,0.4609,0.5259,0.5431,0.6958,2.3623,D02815_D11AH04,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.849,1.929,0,-3.0,8.340780000000001e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D02815
2666,D02815, Alitretinoin (USAN), Other antineoplastic agents,L01XX22,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(=C(CCCC1(C)C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C,300.435,5.6026,95.2818,37.3,29,1,2,SHGAZHPCJJPHSC-ZVCIMWCZSA-N,C20H28O2,CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",-4.8897,-4.7768,-1.3318,-0.9267,-0.5638,-0.5603,0.4623,0.5174,0.54,0.6935,2.3757,D02815_L01XX22,00000000000082240000000000000000000000800040400000000000001020001200000000804000000a000000000000010000009020090020000000000000000c000800000400000000022000800200000000400000000000001000000000010204000000000000010000000000004000000000000000000000040100040000,0400000c00a003,1b0000000000000000008800000000000001000000000000000000000000000000000040437800,0000000000000200020a000004882c84001434d21c,0,0,44,6,0,5,50,50,-4.849,1.929,0,-3.0,8.340780000000001e-05,+,1.2515,-,1.2515,https://www.genome.jp/dbget-bin/www_bget?dr:D02815
2667,D07213, Gamolenic acid (INN), Other dermatologicals,D11AX02,DERMATOLOGICALS,C(=C\CCCCC(=O)O)\C/C=C\C/C=C\CCCCC,278.43,5.6605,88.9898,37.3,31,1,2,VZCCETWTMQHEPK-QNEBEIHSSA-N,C18H30O2,CCCCCC=CCC=CCC=CCCCCC(=O)O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",-4.5501,-4.4044,-1.8546,-0.7628,-0.7626,-0.7603,0.48100000000000004,0.8867,0.8884,0.889,2.3765,D07213_D11AX02,00000000000000240000000000000000000000800040400000000000000020001008000000800001000a0000010000000100020000204000000000000000000008000800000400000000800008800204001000400000000000001000000000000204000000000000000000000000080000000000000000000000000102000100,0400000c00a002,130000000000000000008800000000000000000000000000000000000000000000000000432800,00000000000000000000000684082e84090404d608,0,0,45,4,0,13,50,49,-4.191,2.465,0,0.0,,-,1.8296,-,1.8296,https://www.genome.jp/dbget-bin/www_bget?dr:D07213
2668,D04926, Mequinol (USAN/INN), Other dermatologicals,D11AX06,DERMATOLOGICALS,c1c(ccc(c1)O)OC,124.137,1.4008,34.957,29.46,10,1,2,NWVVVBRKAWDGAB-UHFFFAOYSA-N,C7H8O2,COc1ccc(cc1)O,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",-1.028,-0.4642,-0.4449,-0.4301,-0.4026,-0.3955,0.3178,0.3363,0.4293,0.4787,0.4882,D04926_D11AX06,0000000200000000000002000002000000000000000008000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000010000010000000002000000008000000000000040080000000000000000000000000002000000000010000000020000080000200800000000000000,0000000452b001,000002000000000000000000000000000000000000010000000000000000000000000200402000,00000000000000000000001000000160004480d01e,0,6,11,0,0,1,17,17,-8.838,0.483,0,,0.004567334,+,0.212,-,0.212,https://www.genome.jp/dbget-bin/www_bget?dr:D04926
2669,D07214, Tiratricol (INN), Other dermatologicals,D11AX08,DERMATOLOGICALS,c1(c(ccc(c1)Oc1c(cc(cc1I)CC(=O)O)I)O)I,621.932,4.6254,104.677,66.76,12,2,4,UOWZUVNAGUAEQC-UHFFFAOYSA-N,C14H9I3O4,OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",-4.566,-4.5047,-1.3407,-0.8019,-0.6858,-0.5345,0.4796,0.5149,0.6194,1.2608,2.3826,D07214_D11AX08,000400020024200002040200000200000000200000001a0000000080000000001000400000000001002a000840004100000002000021000000000002000000085800080001000c410020000242800001009000480000000840080800000000004000000000000402080000004010000000020100080130a00800004800100000,0400000c92b003,020004000000000000008800000000000000000000210000000000000000000000000200402800,000000040000000000004000800401642ccca3561e,0,12,18,1,0,4,30,31,-4.851,1.3119999999999998,0,-2.0,0.000246069,+,0.2493,-,0.2493,https://www.genome.jp/dbget-bin/www_bget?dr:D07214
2670,D07214, Tiratricol (INN), Thyroid hormones,H03AA04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(c(ccc(c1)Oc1c(cc(cc1I)CC(=O)O)I)O)I,621.932,4.6254,104.677,66.76,12,2,4,UOWZUVNAGUAEQC-UHFFFAOYSA-N,C14H9I3O4,OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",-4.5557,-4.4988,-1.3392,-0.7911,-0.6941,-0.5353,0.4946,0.5728,0.6073,1.2623,2.3727,D07214_H03AA04,000400020024200002040200000200000000200000001a0000000080000000001000400000000001002a000840004100000002000021000000000002000000085800080001000c410020000242800001009000480000000840080800000000004000000000000402080000004010000000020100080130a00800004800100000,0400000c92b003,020004000000000000008800000000000000000000210000000000000000000000000200402800,000000040000000000004000800401642ccca3561e,0,12,18,1,0,4,30,31,-4.851,1.3119999999999998,0,-2.0,0.000246069,+,0.2493,-,0.2493,https://www.genome.jp/dbget-bin/www_bget?dr:D07214
2671,D07215, Oxaceprol (INN), Other dermatologicals,D11AX09,DERMATOLOGICALS,C1[C@@H](C[C@H](N1C(=O)C)C(=O)O)O,173.167,-1.0094,43.5936,77.84,15,2,5,BAPRUDZDYCKSOQ-RITPCOANSA-N,C7H11NO4,OC1CC(N(C1)C(=O)C)C(=O)O,"InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1",-4.5523,-4.4323,-3.9223,-3.8069,-2.4919,-2.3252,1.8074,2.2278,2.3184,2.3656,2.3793,D07215_D11AX09,00020000004000200100040000000000000000100000000000000000010000001800100080000003000e141000000000010200000000c000000000000000001008000800000028800200000112800006003001400000200080000000000000000000002000000000100000008000280000040000000010000050000100000500,0400002c00a003,032800000000000000008800120000000000000000000000000000000000000000000400402805,0000000000000000000414ce896818478d4daafb19,0,0,21,2,0,2,23,23,-4.737,4.925,2,1.0,4.80194e-08,-,0.4763,-,0.4763,https://www.genome.jp/dbget-bin/www_bget?dr:D07215
2672,D07215, Oxaceprol (INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX24,MUSCULO-SKELETAL SYSTEM,C1[C@@H](C[C@H](N1C(=O)C)C(=O)O)O,173.167,-1.0094,43.5936,77.84,15,2,5,BAPRUDZDYCKSOQ-RITPCOANSA-N,C7H11NO4,OC1CC(N(C1)C(=O)C)C(=O)O,"InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1",-4.5596,-4.4161,-3.9294,-3.802,-2.4918,-2.3263,1.8068,2.2282,2.3026,2.3678,2.3883,D07215_M01AX24,00020000004000200100040000000000000000100000000000000000010000001800100080000003000e141000000000010200000000c000000000000000001008000800000028800200000112800006003001400000200080000000000000000000002000000000100000008000280000040000000010000050000100000500,0400002c00a003,032800000000000000008800120000000000000000000000000000000000000000000400402805,0000000000000000000414ce896818478d4daafb19,0,0,21,2,0,2,23,23,-4.737,4.925,2,1.0,4.80194e-08,-,0.4763,-,0.4763,https://www.genome.jp/dbget-bin/www_bget?dr:D07215
2673,D00321, Finasteride (JAN/USP/INN), Other dermatologicals,D11AX10,DERMATOLOGICALS,[C@H]12[C@H]3[C@@H]([C@@]4([C@@H](CC3)NC(=O)C=C4)C)CC[C@@]1([C@H](CC2)C(=O)NC(C)(C)C)C,372.54400000000004,4.5342,113.181,58.2,40,2,4,DBEPLOCGEIEOCV-WSBQPABSSA-N,C23H36N2O2,O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",-4.7397,-4.3355,-4.135,-3.8459,-3.8428,-3.8092,1.0723,1.085,1.4751,1.635,2.6060000000000003,D00321_D11AX10,000200020000022401000401000000000000009000404800000000000000000018001000008000009006041000000000010200000220014240010000000000200001000000040000000001000a810204001001400000200080001000000000010004002080011800000000000000000000040000000010000090000910000100,0400000000a001,1f00000000000000000080002a0000000001000000000000000000000000000000004440436804,00000000000000000202008e96e93cc1857175ea1d,0,0,63,3,0,3,63,66,-9.906,0.183,7,-1.0,0.492375433,+,2.3757,-,2.3757,https://www.genome.jp/dbget-bin/www_bget?dr:D00321
2674,D00321, Finasteride (JAN/USP/INN), Testosterone-5-alpha reductase inhibitors,G04CB01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H]([C@@]4([C@@H](CC3)NC(=O)C=C4)C)CC[C@@]1([C@H](CC2)C(=O)NC(C)(C)C)C,372.54400000000004,4.5342,113.181,58.2,40,2,4,DBEPLOCGEIEOCV-WSBQPABSSA-N,C23H36N2O2,O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",-4.7389,-4.3334,-4.1342,-3.8455,-3.8424,-3.8087,1.0725,1.0856,1.4737,1.6349,2.6062,D00321_G04CB01,000200020000022401000401000000000000009000404800000000000000000018001000008000009006041000000000010200000220014240010000000000200001000000040000000001000a810204001001400000200080001000000000010004002080011800000000000000000000040000000010000090000910000100,0400000000a001,1f00000000000000000080002a0000000001000000000000000000000000000000004440436804,00000000000000000202008e96e93cc1857175ea1d,0,0,63,3,0,3,63,66,-9.906,0.183,7,-1.0,0.492375433,+,2.3757,-,2.3757,https://www.genome.jp/dbget-bin/www_bget?dr:D00321
2675,D00073, Hydroquinone (USP), Other dermatologicals,D11AX11,DERMATOLOGICALS,c1(ccc(cc1)O)O,110.111,1.0978,30.488000000000003,40.46,8,2,2,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,C6H6O2,Oc1ccc(cc1)O,"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",-0.5844,-0.5844,-0.46399999999999997,-0.46399999999999997,-0.445,-0.445,0.4723,0.4785,0.4786,0.4878,0.4879,D00073_D11AX11,0000000000000000000002000000000000000000000008000000000000000000000000000000000000000008000000000000020000000000000000000000000008000000000000000000000002000000008000000000000040080000000000000000000000000002000000000000000000020000000000200800000000000000,0000000402b001,000000000000000000000000000000000000000000010000000000000000000000000200400000,00000000000000000000000000000140044480501e,0,6,8,0,0,0,14,14,-8.933,0.374,0,0.0,0.002021935,+,0.3465,+,0.3465,https://www.genome.jp/dbget-bin/www_bget?dr:D00073
2676,D01938, Pyrithione zinc (USAN/INN), Other dermatologicals,D11AX12,DERMATOLOGICALS,c1ccc(=S)n(c1)O,127.164,1.4549,32.8087,57.25,6,1,3,YBBJKCMMCRQZMA-UHFFFAOYSA-N,C5H5NOS,S=c1ccccn1O,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H",-1.383,-1.0991,-0.9236,-0.5912,-0.5539999999999999,-0.4106,0.2702,0.2714,0.4121,0.5951,0.7842,D01938_D11AX12,0800018000000000000003000000000000000000000000000000000000000000000000000000802000800108002080400000000020002000800000010000001014000400000000004000000000080000000000000400000040000400000000000000000000000003000000000000040000020000004000000000000012001200,0000000000b001,000000000000000000008000000400000000000000008a00000000000000000000000640400000,0010800000400084510581202200014b00c528081f,0,6,6,1,0,0,13,13,-3.275,3.975,0,,0.005033109,-,0.3545,-,0.3545,https://www.genome.jp/dbget-bin/www_bget?dr:D01938
2677,D05072, Monobenzone (USP/INN), Other dermatologicals,D11AX13,DERMATOLOGICALS,c1ccc(cc1)COc1ccc(cc1)O,200.233,2.9712,59.443999999999996,29.46,14,1,2,VYQNWZOUAUKGHI-UHFFFAOYSA-N,C13H12O2,Oc1ccc(cc1)OCc1ccccc1,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",-1.5484,-0.58,-0.511,-0.4641,-0.4441,-0.4308,0.3605,0.4164,0.4304,0.4798,0.4871,D05072_D11AX13,00000002000000400000020000020000000000000000080000200080000000000010c0000000000020000008000000000000020000000000000000020000000008000802010000010000010002008000008000400000000040080000000100000000000000000002004000000010000000020100080100200800000000000004,0000000452b001,000002000000000000000000000000000000000000010000000000000000000000000200402000,00000000000000000000000000100160004481551e,0,12,16,0,0,3,27,28,-8.872,0.446,0,-2.0,0.124544322,+,0.2615,+,0.2615,https://www.genome.jp/dbget-bin/www_bget?dr:D05072
2678,D07883, Eflornithine (INN), Other dermatologicals,D11AX16,DERMATOLOGICALS,[C@@](CCC[NH3+])(C(=O)O)(C(F)F)[NH3+],184.18400000000003,-1.6611,40.798,92.58,15,3,2,VLCYCQAOQCDTCN-LURJTMIESA-P,C6H14F2N2O2++,[NH3+]CCCC(C(=O)O)(C(F)F)[NH3+],"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+2/t6-/m0/s1",-5.3633,-5.361000000000001,-5.3607,-5.351,-5.3453,-5.3392,2.3009,2.3786,2.5613,2.5957,3.502,D07883_D11AX16,0002000000000000000004020000000000000090a000000000000000000000001000380000000003000a0010000000000100000000004000000000000000000008000800000000000000000110800004003003400000000080000000000000000000000000000000000000000008080000040000000010000000000100000100,0500000c00e002,0201c0000400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000221000200024688c420042424447f09,2,0,24,1,0,5,26,25,-11.917,-4.655,1,0.0,,-,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D07883
2679,D07883, Eflornithine (INN), Other agents against leishmaniasis and trypanosomiasis,P01CX03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@](CCC[NH3+])(C(=O)O)(C(F)F)[NH3+],184.18400000000003,-1.6611,40.798,92.58,15,3,2,VLCYCQAOQCDTCN-LURJTMIESA-P,C6H14F2N2O2++,[NH3+]CCCC(C(=O)O)(C(F)F)[NH3+],"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+2/t6-/m0/s1",-5.3674,-5.3625,-5.3621,-5.3513,-5.3488,-5.3247,2.3134,2.372,2.5783,2.6081,3.5125,D07883_P01CX03,0002000000000000000004020000000000000090a000000000000000000000001000380000000003000a0010000000000100000000004000000000000000000008000800000000000000000110800004003003400000000080000000000000000000000000000000000000000008080000040000000010000000000100000100,0500000c00e002,0201c0000400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000221000200024688c420042424447f09,2,0,24,1,0,5,26,25,-11.917,-4.655,1,0.0,,-,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D07883
2680,D00829, Eflornithine hydrochloride (USAN), Other dermatologicals,D11AX16,DERMATOLOGICALS,[C@@](CCC[NH3+])(C(=O)O)(C(F)F)[NH3+],184.18400000000003,-1.6611,40.798,92.58,15,3,2,VLCYCQAOQCDTCN-LURJTMIESA-P,C6H14F2N2O2++,[NH3+]CCCC(C(=O)O)(C(F)F)[NH3+],"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+2/t6-/m0/s1",-5.3646,-5.3627,-5.3617,-5.3524,-5.3453,-5.3323,2.3174,2.3687,2.5812,2.5919,3.5143,D00829_D11AX16,0002000000000000000004020000000000000090a000000000000000000000001000380000000003000a0010000000000100000000004000000000000000000008000800000000000000000110800004003003400000000080000000000000000000000000000000000000000008080000040000000010000000000100000100,0500000c00e002,0201c0000400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000221000200024688c420042424447f09,2,0,24,1,0,5,26,25,-11.92,-4.654,1,,,-,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D00829
2681,D00829, Eflornithine hydrochloride (USAN), Other agents against leishmaniasis and trypanosomiasis,P01CX03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@](CCC[NH3+])(C(=O)O)(C(F)F)[NH3+],184.18400000000003,-1.6611,40.798,92.58,15,3,2,VLCYCQAOQCDTCN-LURJTMIESA-P,C6H14F2N2O2++,[NH3+]CCCC(C(=O)O)(C(F)F)[NH3+],"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/p+2/t6-/m0/s1",-5.3651,-5.3635,-5.3614,-5.3488,-5.3449,-5.3345,2.3073,2.3744,2.5794,2.5978,3.5099,D00829_P01CX03,0002000000000000000004020000000000000090a000000000000000000000001000380000000003000a0010000000000100000000004000000000000000000008000800000000000000000110800004003003400000000080000000000000000000000000000000000000000008080000040000000010000000000100000100,0500000c00e002,0201c0000400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000221000200024688c420042424447f09,2,0,24,1,0,5,26,25,-11.92,-4.654,1,,,-,0.5381,-,0.5381,https://www.genome.jp/dbget-bin/www_bget?dr:D00829
2682,D07816, Diclofenac (USAN/INN), Other dermatologicals,D11AX18,DERMATOLOGICALS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5675,-4.4007,-3.3868,-1.5517,-1.3304,-1.2614,1.0727,1.2187,1.2786,1.4669,2.3799,D07816_D11AX18,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,0.0,0.000487571,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07816
2683,D07816, Diclofenac (USAN/INN), Acetic acid derivatives and related substances,M01AB05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5306,-4.4732,-3.3666,-1.3869,-1.3324,-1.3152,0.8488,0.9386,1.2703,1.3843,2.3585,D07816_M01AB05,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,0.0,0.000487571,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07816
2684,D07816, Diclofenac (USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA15,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5807,-4.3896,-3.3679,-1.9785,-1.639,-1.3325,1.0495,1.0559,1.2878,1.8336,2.3707,D07816_M02AA15,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,0.0,0.000487571,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07816
2685,D07816, Diclofenac (USAN/INN)," Antiinflammatory agents, non-steroids",S01BC03,SENSORY ORGANS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5988,-4.3728,-3.3826,-1.8886,-1.611,-1.3309,1.0409,1.0464,1.2888,1.7882,2.3717,D07816_S01BC03,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,0.0,0.000487571,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07816
2686,D00903, Diclofenac potassium (USAN), Other dermatologicals,D11AX18,DERMATOLOGICALS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5618,-4.4425,-3.3789,-1.5530000000000002,-1.3357,-1.2917,1.0282,1.0731,1.2793,1.47,2.3813,D00903_D11AX18,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.052,0,0.0,0.000487223,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00903
2687,D00903, Diclofenac potassium (USAN), Acetic acid derivatives and related substances,M01AB05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5704,-4.3834,-3.3798,-1.3947,-1.3309,-1.2243,0.9532,0.9542,1.2806,1.3409,2.3688,D00903_M01AB05,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.052,0,0.0,0.000487223,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00903
2688,D00903, Diclofenac potassium (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA15,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.54,-4.4819,-3.3992,-1.8764,-1.5377,-0.8841,1.0713,1.2104,1.2316,1.2869,2.4038,D00903_M02AA15,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.052,0,0.0,0.000487223,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00903
2689,D00903, Diclofenac potassium (USAN)," Antiinflammatory agents, non-steroids",S01BC03,SENSORY ORGANS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5544,-4.4405,-3.3613,-1.8242,-1.6263,-1.3363,1.2793,1.3159999999999998,1.5001,1.7159,2.3701,D00903_S01BC03,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.052,0,0.0,0.000487223,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00903
2690,D00904, Diclofenac sodium (JP17/USP), Other dermatologicals,D11AX18,DERMATOLOGICALS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.553999999999999,-4.4621,-3.4023,-1.344,-1.338,-1.18,0.9236,0.9990000000000001,1.2790000000000001,1.2975,2.3815,D00904_D11AX18,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.05,0,,0.0004966009999999999,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00904
2691,D00904, Diclofenac sodium (JP17/USP), Acetic acid derivatives and related substances,M01AB05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5573,-4.3982,-3.3766,-1.8229,-1.3357,-1.2911,1.2881,1.4427,1.4861,1.4883,2.367,D00904_M01AB05,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.05,0,,0.0004966009999999999,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00904
2692,D00904, Diclofenac sodium (JP17/USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA15,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5457,-4.4639,-3.3709,-1.6915,-1.5746,-1.3306,0.9722,1.0387,1.2705,1.6953,2.3719,D00904_M02AA15,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.05,0,,0.0004966009999999999,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00904
2693,D00904, Diclofenac sodium (JP17/USP)," Antiinflammatory agents, non-steroids",S01BC03,SENSORY ORGANS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5721,-4.3659,-3.3714,-1.5356,-1.3262,-1.2666,0.9508,1.0584,1.2842,1.4414,2.3727,D00904_S01BC03,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.05,0,,0.0004966009999999999,+,0.3941,-,0.3941,https://www.genome.jp/dbget-bin/www_bget?dr:D00904
2694,D07817, Diclofenac diethylamine, Other dermatologicals,D11AX18,DERMATOLOGICALS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5704,-4.4391,-3.3781,-1.7486,-1.5888,-1.3339,1.0319,1.0408,1.2809,1.7209999999999999,2.3784,D07817_D11AX18,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,1.0,0.000487711,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07817
2695,D07817, Diclofenac diethylamine, Acetic acid derivatives and related substances,M01AB05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5335,-4.4479,-3.3846,-1.8641,-1.7791,-1.6119,1.2978,1.3022,1.6284,1.9545,2.3661,D07817_M01AB05,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,1.0,0.000487711,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07817
2696,D07817, Diclofenac diethylamine," Antiinflammatory preparations, non-steroids for topical use",M02AA15,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5197,-4.4775,-3.3949,-1.3313,-1.3312,-0.7888,0.9513,1.0229,1.1084,1.2694,2.3741,D07817_M02AA15,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,1.0,0.000487711,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07817
2697,D07817, Diclofenac diethylamine," Antiinflammatory agents, non-steroids",S01BC03,SENSORY ORGANS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5561,-4.4271,-3.3682,-1.889,-1.6124,-1.3339,1.0435,1.0464,1.2833,1.7838,2.3680000000000003,D07817_S01BC03,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.404,2.051,0,1.0,0.000487711,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07817
2698,D07818, Diclofenac hydroxyethylpyrrolidine, Other dermatologicals,D11AX18,DERMATOLOGICALS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.566,-4.251,-3.3581,-1.32,-1.2635,-1.0161,0.7109,0.8866,1.1520000000000001,1.2999,2.3399,D07818_D11AX18,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.052,0,1.0,0.000496665,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07818
2699,D07818, Diclofenac hydroxyethylpyrrolidine, Acetic acid derivatives and related substances,M01AB05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5476,-4.4604,-3.3699,-1.867,-1.7409999999999999,-1.5506,1.2297,1.2812,1.4256,1.6616,2.3982,D07818_M01AB05,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.052,0,1.0,0.000496665,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07818
2700,D07818, Diclofenac hydroxyethylpyrrolidine," Antiinflammatory preparations, non-steroids for topical use",M02AA15,MUSCULO-SKELETAL SYSTEM,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5815,-4.426,-3.3788,-1.8801,-1.6155,-1.3368,1.0482,1.0518,1.2809,1.7916,2.3869,D07818_M02AA15,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.052,0,1.0,0.000496665,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07818
2701,D07818, Diclofenac hydroxyethylpyrrolidine," Antiinflammatory agents, non-steroids",S01BC03,SENSORY ORGANS,c1cccc(c1Nc1c(cccc1Cl)Cl)CC(=O)O,296.149,4.4371,77.5505,49.33,13,2,2,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",-4.5547,-4.4824,-3.3889,-1.8727,-1.7635,-1.3946,1.2838,1.3204,1.5106,1.556,2.4043,D07818_S01BC03,00040220002000000210260008800000801000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020080040808000800400006400004000004800003009800400400210841080800002000004000000810000000200000004000000000020100000100000000000002800000,0400000c00b023,020040100000000000008800000000000000000000040000000000000000000000000200402800,000000000000000000004002c00400047c84617e1f,0,12,18,1,0,4,30,31,-4.4030000000000005,2.052,0,1.0,0.000496665,+,0.4052,-,0.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D07818
2702,D07540, Brimonidine (INN), Other dermatologicals,D11AX21,DERMATOLOGICALS,c12c(ccc(c1Br)NC1=[NH]CCN1)nccn2,293.143,1.815,78.7341,73.69,16,3,4,QKHOMOWUMAGFET-UHFFFAOYSA-N,C11H11BrN5,Brc1c(ccc2c1nccn2)NC1=[NH]CCN1,"InChI=1S/C11H11BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4,15-17H,5-6H2",-8.5075,-8.4978,-6.5585,-5.4067,-5.4047,-3.7433,2.7221,2.9478,2.9701,3.2754,3.3058,D07540_D11AX21,4042000d0881040000000e009080000a80000000808006400000000080201000200008000000822100800528000122c00400000000002008080040000008040804001400c000848008004000142800000080004014002010420802010000020001200001048402000000000040000400000e0000000000001080800406c00000,0000000000b001,000040010000000000000000000000000040000000109000000000000000000000004600403800,000000010024200001f046869a47e00174a3652917,0,11,18,1,0,2,28,30,-12.665,-5.811,0,0.0,0.001147763,+,0.7316,-,0.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D07540
2703,D07540, Brimonidine (INN), Sympathomimetics in glaucoma therapy,S01EA05,SENSORY ORGANS,c12c(ccc(c1Br)NC1=[NH]CCN1)nccn2,293.143,1.815,78.7341,73.69,16,3,4,QKHOMOWUMAGFET-UHFFFAOYSA-N,C11H11BrN5,Brc1c(ccc2c1nccn2)NC1=[NH]CCN1,"InChI=1S/C11H11BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4,15-17H,5-6H2",-8.5076,-8.4993,-6.558,-5.4069,-5.405,-3.7436,2.7213,2.9482,2.9703,3.2762,3.3053,D07540_S01EA05,4042000d0881040000000e009080000a80000000808006400000000080201000200008000000822100800528000122c00400000000002008080040000008040804001400c000848008004000142800000080004014002010420802010000020001200001048402000000000040000400000e0000000000001080800406c00000,0000000000b001,000040010000000000000000000000000040000000109000000000000000000000004600403800,000000010024200001f046869a47e00174a3652917,0,11,18,1,0,2,28,30,-12.665,-5.811,0,0.0,0.001147763,+,0.7316,-,0.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D07540
2704,D02076, Brimonidine tartrate (JAN/USAN), Other dermatologicals,D11AX21,DERMATOLOGICALS,c12c(ccc(c1Br)NC1=[NH]CCN1)nccn2,293.143,1.815,78.7341,73.69,16,3,4,QKHOMOWUMAGFET-UHFFFAOYSA-N,C11H11BrN5,Brc1c(ccc2c1nccn2)NC1=[NH]CCN1,"InChI=1S/C11H11BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4,15-17H,5-6H2",-8.5065,-8.4833,-6.5547,-5.4135,-5.4074,-3.7411,2.7328,2.9441,2.9646,3.261,3.3141,D02076_D11AX21,4042000d0881040000000e009080000a80000000808006400000000080201000200008000000822100800528000122c00400000000002008080040000008040804001400c000848008004000142800000080004014002010420802010000020001200001048402000000000040000400000e0000000000001080800406c00000,0000000000b001,000040010000000000000000000000000040000000109000000000000000000000004600403800,000000010024200001f046869a47e00174a3652917,0,11,18,1,0,2,28,30,-12.663,-5.811,0,,0.001146795,+,0.7316,-,0.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D02076
2705,D02076, Brimonidine tartrate (JAN/USAN), Sympathomimetics in glaucoma therapy,S01EA05,SENSORY ORGANS,c12c(ccc(c1Br)NC1=[NH]CCN1)nccn2,293.143,1.815,78.7341,73.69,16,3,4,QKHOMOWUMAGFET-UHFFFAOYSA-N,C11H11BrN5,Brc1c(ccc2c1nccn2)NC1=[NH]CCN1,"InChI=1S/C11H11BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4,15-17H,5-6H2",-8.5078,-8.4991,-6.5586,-5.4072,-5.4048,-3.7435,2.7219,2.9485,2.9705,3.2761,3.3058,D02076_S01EA05,4042000d0881040000000e009080000a80000000808006400000000080201000200008000000822100800528000122c00400000000002008080040000008040804001400c000848008004000142800000080004014002010420802010000020001200001048402000000000040000400000e0000000000001080800406c00000,0000000000b001,000040010000000000000000000000000040000000109000000000000000000000004600403800,000000010024200001f046869a47e00174a3652917,0,11,18,1,0,2,28,30,-12.663,-5.811,0,,0.001146795,+,0.7316,-,0.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D02076
2706,D02199, Carbenicillin phenyl sodium (USAN), Antibiotics,G01AA08,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)Oc1ccccc1)c1ccccc1,454.496,2.3363,120.876,138.31,30,2,9,NZDASSHFKWDBBU-PFRQMTDMSA-N,C23H22N2O6S,O=C(C(C(=O)Oc1ccccc1)c1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15-,16+,17-,20+/m0/s1",-4.5359,-4.4299,-4.4101,-3.8978,-3.8959,-3.7956,2.1238,2.2083,2.2276,2.3612,2.373,D02199_G01AA08,c026019310600020230006000012000c0000000000400000200000800112000018004087a1070013000e203800000040090342001000c004000200020004221c0820480001001dc101210c0006e0811f00b004400100200840480e0a80010000480000000012200200002002c01000004006310c684316200870004600100004,0400000c50b107,0500010000000000030098002a0000800000000000000000000000000000000000004600402805,8004040008400000024295c901a19167946dfbfa1f,0,12,41,4,0,8,54,57,-4.758,1.9269999999999998,4,,0.002949529,-,3.0828,-,3.0828,https://www.genome.jp/dbget-bin/www_bget?dr:D02199
2707,D01829, Pentamycin (JAN), Antibiotics,G01AA11,GENITO URINARY SYSTEM AND SEX HORMONES,O1[C@@H]([C@@H](O)/C=C/C=C/C=C/C=C/C=C(/[C@H]([C@@H]([C@H](O)C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H]([C@H](C1=O)[C@@H](CCCCC)O)O)O)O)O)O)O)O)\C)C,670.828,0.8588,178.778,228.6,70,10,12,AGJUUQSLGVCRQA-SWOUQTJZSA-N,C35H58O12,CCCCCC(C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O,"InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1",-4.4191,-3.0075,-2.8673,-2.8577,-2.2976,-2.1261,1.805,2.0342,2.0379,2.0401,2.3279,D01829_G01AA11,00000004000082240000000000020000200000800060400000000000001400001200000800a04005001a00002000000001a000009020400100000000000082000c900800040400000000820228800214009000400002000000001001000000000004000000000000010000004000284000030100000500000000048140040100,0400002c30a005,17280000000100000000a000000000000000000000000000000000000000000000000440432805,00000000000032018008000784082ec40d5db6d618,0,0,99,6,0,5,105,105,-8.022,-1.516,12,1.0,0.097365528,-,3.7351,+,3.7351,https://www.genome.jp/dbget-bin/www_bget?dr:D01829
2708,D00581, Iodoquinol (USP), Quinoline derivatives,G01AC01,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c2c(c1O)nccc2)I)I,396.95099999999996,3.1496,69.2,33.12,7,1,2,UXZFQZANDVDGMM-UHFFFAOYSA-N,C9H5I2NO,Ic1cc(I)c2c(c1O)nccc2,"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",-2.0479,-1.9794,-1.0588,-1.003,-0.649,-0.4588,0.318,0.3214,0.4819,0.5574,0.8808,D00581_G01AC01,000000040000240000000200000000000000000000000001000000000004000000000080000080200880000840000340000002000001200000000000000000000c000400400008200000400242080000008000000400000040080000000000000000200000000002040000000000040000020000004030600800000002100000,0000000402b001,000000000000000000000000000000000000000000219000000000000000000000004600400000,0000000400000000010040401205014120c5a1181f,0,11,8,0,0,0,18,19,-9.232000000000001,-1.1159999999999999,0,0.0,0.386968672,+,0.1897,-,0.1897,https://www.genome.jp/dbget-bin/www_bget?dr:D00581
2709,D00111, Lactic acid (JP17/USP), Organic acids,G01AD01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H](C(=O)O)(C)O,90.0779,-0.5482,19.4686,57.53,8,2,3,JVTAAEKCZFNVCJ-REOHCLBHSA-N,C3H6O3,OC(=O)C(O)C,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",-4.5644,-4.4178,-2.6408,-2.3427,-1.4934,-1.33,1.6137,1.7463,2.0339,2.1136,2.3596,D00111_G01AD01,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000000000000000000000000000000000008000800000000000000000000800000005000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400002c00a002,012800000000000000008800000000200000000000000000000000000000000000000000402804,00000000000020008000000000000004040482d208,0,0,10,1,0,1,12,11,-4.244,7.615,1,1.0,,+,0.4708,-,0.4708,https://www.genome.jp/dbget-bin/www_bget?dr:D00111
2710,D00010," Acetic acid, glacial (USP)", Organic acids,G01AD02,GENITO URINARY SYSTEM AND SEX HORMONES,C(=O)(C)O,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5656,-4.4318,-1.3341,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D00010_G01AD02,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.244,0,0.0,2.3133e-12,+,0.9440000000000001,-,0.9440000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00010
2711,D00010," Acetic acid, glacial (USP)", Antiinfectives,S02AA10,SENSORY ORGANS,C(=O)(C)O,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5659,-4.4316,-1.334,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D00010_S02AA10,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.244,0,0.0,2.3133e-12,+,0.9440000000000001,-,0.9440000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00010
2712,D01127, Sulfatolamide (JAN/INN), Sulfonamides,G01AE01,GENITO URINARY SYSTEM AND SEX HORMONES,c1(S(=O)(=O)NC(=S)N)ccc(cc1)N,231.295,2.5439,57.2405,138.68,15,3,6,UEMLYRZWLVXWRU-UHFFFAOYSA-N,C7H9N3O2S2,NC(=S)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)",-9.9496,-9.3678,-9.3464,-5.7711,-5.5633,-5.3809,2.8477,2.9276,2.9719,3.8615,3.8795,D01127_G01AE01,680001000000000000000620000400004c000000000000000000000000000000080040080000002000000108002800c00062000000004000000000020028000000000000400020804100000000000000008000a004200000400800000000000000200000800000000000000010000000000ab002000000010020800012000000,0000000000b021,000040080000000000000000000000000040000000000000000020000000000000000240402800,000000800144449e1411892021821008d62048681f,0,6,14,3,0,3,23,23,-8.552,-1.569,0,0.0,0.046191692,-,1.0537,-,1.0537,https://www.genome.jp/dbget-bin/www_bget?dr:D01127
2713,D05274, Ornidazole (USAN/INN), Imidazole derivatives,G01AF06,GENITO URINARY SYSTEM AND SEX HORMONES,n1(c(cnc1C)[N](=O)O)C[C@H](O)CCl,220.63400000000001,1.114,51.2683,87.71,15,2,3,ZZONOJIVLMLICG-ZCFIWIBFSA-N,C7H11ClN3O3,ClCC(Cn1c(C)ncc1[N](=O)O)O,"InChI=1S/C7H11ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3,(H,13,14)/t6-/m1/s1",-5.6581,-4.6061,-1.9398,-1.909,-1.8294,-1.6665,1.0285,1.064,1.2256,1.2718,2.0534,D05274_G01AF06,0000020900000840000846000c4000003000001000000440800000c80000000010000006000000231001001000000680000020800000400000080000000000001c800c00800aa24000009000001001000090014008800008e010060100010054000c08000000000000000000c000080120040110000030801200000006400a00,0100002c00f001,812800000000000000000000000000000000000000009800000000000000000000000640c03a04,000080002000814071d414e4e900c80b7ea7aafd1b,0,5,19,1,0,4,25,25,-10.097000000000001,-1.7919999999999998,1,1.0,0.036746892999999996,-,0.3771,-,0.3771,https://www.genome.jp/dbget-bin/www_bget?dr:D05274
2714,D05274, Ornidazole (USAN/INN), Imidazole derivatives,J01XD03,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)C[C@H](O)CCl,220.63400000000001,1.114,51.2683,87.71,15,2,3,ZZONOJIVLMLICG-ZCFIWIBFSA-N,C7H11ClN3O3,ClCC(Cn1c(C)ncc1[N](=O)O)O,"InChI=1S/C7H11ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3,(H,13,14)/t6-/m1/s1",-5.6911,-4.6489,-1.9509,-1.9095,-1.8418,-1.679,1.0528,1.0607,1.2545,1.2816,2.0684,D05274_J01XD03,0000020900000840000846000c4000003000001000000440800000c80000000010000006000000231001001000000680000020800000400000080000000000001c800c00800aa24000009000001001000090014008800008e010060100010054000c08000000000000000000c000080120040110000030801200000006400a00,0100002c00f001,812800000000000000000000000000000000000000009800000000000000000000000640c03a04,000080002000814071d414e4e900c80b7ea7aafd1b,0,5,19,1,0,4,25,25,-10.097000000000001,-1.7919999999999998,1,1.0,0.036746892999999996,-,0.3771,-,0.3771,https://www.genome.jp/dbget-bin/www_bget?dr:D05274
2715,D05274, Ornidazole (USAN/INN), Nitroimidazole derivatives,P01AB03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)C[C@H](O)CCl,220.63400000000001,1.114,51.2683,87.71,15,2,3,ZZONOJIVLMLICG-ZCFIWIBFSA-N,C7H11ClN3O3,ClCC(Cn1c(C)ncc1[N](=O)O)O,"InChI=1S/C7H11ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3,(H,13,14)/t6-/m1/s1",-5.6949,-4.6448,-1.9509,-1.9132,-1.8407,-1.6795,0.9895,1.1409,1.162,1.2678,2.0797,D05274_P01AB03,0000020900000840000846000c4000003000001000000440800000c80000000010000006000000231001001000000680000020800000400000080000000000001c800c00800aa24000009000001001000090014008800008e010060100010054000c08000000000000000000c000080120040110000030801200000006400a00,0100002c00f001,812800000000000000000000000000000000000000009800000000000000000000000640c03a04,000080002000814071d414e4e900c80b7ea7aafd1b,0,5,19,1,0,4,25,25,-10.097000000000001,-1.7919999999999998,1,1.0,0.036746892999999996,-,0.3771,-,0.3771,https://www.genome.jp/dbget-bin/www_bget?dr:D05274
2716,D03028, Azanidazole (USAN/INN), Imidazole derivatives,G01AF13,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(n(c(n1)/C=C/c1nc(ncc1)N)C)[N](=O)O,247.233,1.8667,66.0949,119.28,17,2,5,TWMNKGOPCBFFTD-NSCUHMNNSA-N,C10H11N6O2,Nc1nccc(n1)C=Cc1ncc(n1C)[N](=O)O,"InChI=1S/C10H11N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H,17,18)(H2,11,12,14)/b3-2+",-6.7649,-5.6642,-5.1335,-5.1313,-4.8205,-4.8187,2.1123,2.1142,2.3408,2.533,3.4611,D03028_G01AF13,a020000a00000044000846000c4001000002000001204440830000c200000000000101004008a0211000001600000680000020800000420000080002000400001c000c00020002800000100000100300009800400c8000006010000004010054000c0808202000c00040000044000001201e0510000920001208000046411000,0100000000f021,100000080000000000000000000000000000000000009800000000000000000000000640c33a00,000080012000814071d41cf02702c00b56a568e81f,0,11,17,2,0,3,29,30,-9.378,-2.039,0,-3.0,0.06041351,+,0.9186,-,0.9186,https://www.genome.jp/dbget-bin/www_bget?dr:D03028
2717,D03028, Azanidazole (USAN/INN), Nitroimidazole derivatives,P01AB04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(n(c(n1)/C=C/c1nc(ncc1)N)C)[N](=O)O,247.233,1.8667,66.0949,119.28,17,2,5,TWMNKGOPCBFFTD-NSCUHMNNSA-N,C10H11N6O2,Nc1nccc(n1)C=Cc1ncc(n1C)[N](=O)O,"InChI=1S/C10H11N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H,17,18)(H2,11,12,14)/b3-2+",-6.7637,-5.6646,-5.1332,-5.1308,-4.8204,-4.8188,2.113,2.1149,2.3407,2.5325,3.4606,D03028_P01AB04,a020000a00000044000846000c4001000002000001204440830000c200000000000101004008a0211000001600000680000020800000420000080002000400001c000c00020002800000100000100300009800400c8000006010000004010054000c0808202000c00040000044000001201e0510000920001208000046411000,0100000000f021,100000080000000000000000000000000000000000009800000000000000000000000640c33a00,000080012000814071d41cf02702c00b56a568e81f,0,11,17,2,0,3,29,30,-9.378,-2.039,0,-3.0,0.06041351,+,0.9186,-,0.9186,https://www.genome.jp/dbget-bin/www_bget?dr:D03028
2718,D07430, Propenidazole (INN), Imidazole derivatives,G01AF14,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(n(c(n1)/C=C(\C(=O)C)/C(=O)OCC)C)[N](=O)O,268.246,1.2784,66.3415,110.85,20,1,5,ZNGVBYFZHPNOQZ-VMPITWQZSA-N,C11H14N3O5,CCOC(=O)C(=Cc1ncc(n1C)[N](=O)O)C(=O)C,"InChI=1S/C11H14N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3,(H,17,18)/b8-5+",-5.6832,-4.6901,-4.6081,-3.2908,-3.2319999999999998,-1.9955,1.2076,1.2844,1.5354,1.9673,2.0554,D07430_G01AF14,1000000a00000044000846800c4201000082000000004440800000c2001400001000010000800021100a001020000680010020a01000412000080008000002001c100c0000000200000010000090011c00900040088000406010100004010055000c080820000042000030004100040120070110000020001200000046411000,1500000030f005,110000000000010000009000000000000001000000009800000000000000000000000640c07a01,000080002000834071dc14f12510c22fd2bdbaff1b,0,5,24,4,0,6,33,33,-9.988999999999999,-2.09,0,1.0,0.040550273,+,1.0812,-,1.0812,https://www.genome.jp/dbget-bin/www_bget?dr:D07430
2719,D07430, Propenidazole (INN), Nitroimidazole derivatives,P01AB05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(n(c(n1)/C=C(\C(=O)C)/C(=O)OCC)C)[N](=O)O,268.246,1.2784,66.3415,110.85,20,1,5,ZNGVBYFZHPNOQZ-VMPITWQZSA-N,C11H14N3O5,CCOC(=O)C(=Cc1ncc(n1C)[N](=O)O)C(=O)C,"InChI=1S/C11H14N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3,(H,17,18)/b8-5+",-5.6781,-4.6878,-4.6058,-3.2916,-3.2238,-2.0091,1.1912,1.3421,1.5385,1.9482,2.0598,D07430_P01AB05,1000000a00000044000846800c4201000082000000004440800000c2001400001000010000800021100a001020000680010020a01000412000080008000002001c100c0000000200000010000090011c00900040088000406010100004010055000c080820000042000030004100040120070110000020001200000046411000,1500000030f005,110000000000010000009000000000000001000000009800000000000000000000000640c07a01,000080002000834071dc14f12510c22fd2bdbaff1b,0,5,24,4,0,6,33,33,-9.988999999999999,-2.09,0,1.0,0.040550273,+,1.0812,-,1.0812,https://www.genome.jp/dbget-bin/www_bget?dr:D07430
2720,D07598, Butoconazole (INN), Imidazole derivatives,G01AF15,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H](Sc1c(cccc1Cl)Cl)(Cn1ccnc1)CCc1ccc(cc1)Cl,411.776,6.6370000000000005,108.669,43.12,19,0,3,SWLMUYACZKCSHZ-INIZCTEOSA-N,C19H17Cl3N2S,Clc1ccc(cc1)CCC(Sc1c(Cl)cccc1Cl)Cn1cncc1,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1",-0.6056,-0.5936,-0.5760000000000001,-0.5722,-0.5699,-0.4586,0.2519,0.2598,0.4217,0.546,0.5469,D07598_G01AF15,2004030300000850320046000100000000108001000004000000088000200000190040000001802110018018000100a00100020000404000000000020000000404000c00800000060004a400271001020088016008a05008c0480800000910040000000000000000202000004000080040061180030102200002a00102800000,00000000003101,020008002000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5804804a00321a12d2517,0,17,27,0,0,7,42,44,-8.888,-0.64,1,1.0,0.981362402,+,4.0328,-,4.0328,https://www.genome.jp/dbget-bin/www_bget?dr:D07598
2721,D00880, Butoconazole nitrate (USP), Imidazole derivatives,G01AF15,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H](Sc1c(cccc1Cl)Cl)(Cn1ccnc1)CCc1ccc(cc1)Cl,411.776,6.6370000000000005,108.669,43.12,19,0,3,SWLMUYACZKCSHZ-INIZCTEOSA-N,C19H17Cl3N2S,Clc1ccc(cc1)CCC(Sc1c(Cl)cccc1Cl)Cn1cncc1,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1",-0.6053,-0.5904,-0.574,-0.5734,-0.5720000000000001,-0.4635,0.2518,0.2597,0.3386,0.5417,0.5522,D00880_G01AF15,2004030300000850320046000100000000108001000004000000088000200000190040000001802110018018000100a00100020000404000000000020000000404000c00800000060004a400271001020088016008a05008c0480800000910040000000000000000202000004000080040061180030102200002a00102800000,00000000003101,020008002000000000000000000000000000000000049800000000000000000000000600403004,00000000000000840154d5804804a00321a12d2517,0,17,27,0,0,7,42,44,-8.887,-0.635,1,,0.9813794490000001,+,4.0328,-,4.0328,https://www.genome.jp/dbget-bin/www_bget?dr:D00880
2722,D00888, Terconazole (USAN/INN), Triazole derivatives,G01AG02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1(c2c(cc(cc2)Cl)Cl)(O[C@H](CO1)COc1ccc(cc1)N1CC[N@H+](CC1)C(C)C)Cn1cncn1,533.47,4.6798,147.808,66.08,38,1,7,BLSQLHNBWJLIBQ-OZXSUGGESA-O,C26H32Cl2N5O3+,Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CC[NH+](CC1)C(C)C)Cn1cncn1,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/p+1/t23-,26-/m0/s1",-6.0444,-4.5336,-4.4978,-4.4919,-3.963,-3.9219999999999997,1.7289,1.7316,1.7452,1.9317,2.5312,D00888_G01AG02,00070202000080c00a0006000082000ca000802500000c0000220080002400101200408f6000002760010038381410c0001022000200401900000002009024000c202902c110200100240900a6008002008900400c002008e00a080100212000484000000028000224c000025010080000068184280100e00802800006c00004,0100040070f021,010042020500804000000000000000000000000000049800000000000000000000000600c03204,000000000000092181d676e5cbdca9ef79e3fffd1f,0,17,55,0,0,8,68,72,-11.469000000000001,-3.905,2,5.0,0.415305346,+,3.5849,-,3.5849,https://www.genome.jp/dbget-bin/www_bget?dr:D00888
2723,D03462, Chlordantoin (USAN), Other antiinfectives and antiseptics,G01AX01,GENITO URINARY SYSTEM AND SEX HORMONES,N1(C(=O)[C@@H](NC1=O)[C@H](CCCC)CC)SC(Cl)(Cl)Cl,347.689,4.3658,89.2107,74.71,22,1,5,VOGJJBHRUDVEFM-YUMQZZPRSA-N,C11H17Cl3N2O2S,CCCCC(C1NC(=O)N(C1=O)SC(Cl)(Cl)Cl)CC,"InChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)/t7-,8-/m0/s1",-5.2731,-4.6126,-3.8417,-3.8160000000000003,-2.6363,-2.635,1.7647,1.9179,2.4969,2.5299,2.6252,D03462_G01AX01,5002030020400a2001000400000000080c046010000000000000000060080102380010000000300010070530000102000100000000202000002000000000000200800000000000004000000008900004003401c000002000808040002000000000304000040002000000000000000000000c3000000010000030000100000100,0400000000a041,870000000000006000008000000000000040000000000000000000800000000000000400402804,0000008011000080045485ef41aebecba1617cee19,0,0,34,2,0,7,36,36,-9.606,-1.2990000000000002,2,,0.525407076,-,1.1743,-,1.1743,https://www.genome.jp/dbget-bin/www_bget?dr:D03462
2724,D01050, Nifuratel (USAN), Other antiinfectives and antiseptics,G01AX05,GENITO URINARY SYSTEM AND SEX HORMONES,C1(=O)N(/N=C/c2oc(cc2)[N](=O)O)C[C@@H](O1)CSC,286.284,2.0580000000000003,72.5975,130.0,19,1,6,AOZHKHLFSQLMQY-ORMNHXAVSA-N,C10H12N3O5S,CSCC1CN(C(=O)O1)N=Cc1ccc(o1)[N](=O)O,"InChI=1S/C10H12N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3,(H,15,16)/b11-4+/t8-/m1/s1",-5.6702,-5.235,-4.601,-3.5256,-2.7116,-2.4084,1.4556,1.5551,1.6023,1.8495,2.0408,D01050_G01AX05,00020315000221806b000e040e02000110200008102000540208404010002000184048400002c462100c021800000a0101080010001c07000000008201500a041a0118422010002000010490008401c000d080406c10200461400000004700150a402021010000004090000080014210c0c6100802031a00305a62000e808800,0100000030f101,00000100100000000000000000000000004000010000a000000000000000000000000640c32a04,0000c00000008941f024a4f8296ad44fda6faaff1b,0,5,24,3,0,5,31,32,-8.976,-2.355,1,0.0,0.11113435,-,1.1413,-,1.1413,https://www.genome.jp/dbget-bin/www_bget?dr:D01050
2725,D00830, Furazolidone (USP/INN), Other antiinfectives and antiseptics,G01AX06,GENITO URINARY SYSTEM AND SEX HORMONES,C1(=O)N(/N=C/c2oc(cc2)[N](=O)O)CCO1,226.166,1.3264,55.3925,104.7,14,1,5,JSDMYKCORNGAEJ-WEVVVXLNSA-N,C8H8N3O5,O=C1OCCN1N=Cc1ccc(o1)[N](=O)O,"InChI=1S/C8H8N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2,(H,13,14)/b9-5+",-5.6715,-5.2272,-4.599,-3.5175,-2.7022,-2.4079,1.4649,1.5487,1.6021,1.8425,2.0408,D00830_G01AX06,00020014000221800b000e0408020001100000081020005402084040100000000840484000004462100c020800000a0100080010001407000000008201500a001a0118422010002000010010008401c000d080406400200421000000004700150a40200101000000401000008001021080c6000000030a00304a62000e808800,0100000030f001,00000000000000000000000000000000004000010000a000000000000000000000000640c32a00,0000c00000008941f02404e82972f04fda6fae7b1b,0,5,17,3,0,3,24,25,-10.379000000000001,-2.343,0,-1.0,0.040164832000000004,+,0.7551,-,0.7551,https://www.genome.jp/dbget-bin/www_bget?dr:D00830
2726,D07216, Protiofate (INN), Other antiinfectives and antiseptics,G01AX13,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c(c(c(s1)C(=O)OCCC)O)O)C(=O)OCCC,288.317,2.2929,70.152,121.3,22,2,7,GUFHWUFYAOUKTI-UHFFFAOYSA-N,C12H16O6S,CCCOC(=O)c1sc(c(c1O)O)C(=O)OCCC,"InChI=1S/C12H16O6S/c1-3-5-17-11(15)9-7(13)8(14)10(19-9)12(16)18-6-4-2/h13-14H,3-6H2,1-2H3",-5.4142,-5.377000000000001,-3.6668,-3.657,-1.953,-1.9453,1.3769,1.4280000000000002,1.5355,1.5385,1.7806,D07216_G01AX13,0000c102080000c00008020000020000040000800000080000200004000400021400401000001001800a8068282001001000800000000000088000020008038108a00826002000010400010030800000808000400002000008008020001100000008000080000000004882005002000000020560008100200808004c40000100,0400000436b005,03000000000000000000900000000000c00100000003c000000000000000000000000640403000,000000000800200080008581001027648ccfb6d71a,0,5,28,2,0,8,35,35,-9.146,-1.256,0,0.0,0.07302101,-,1.5716,-,1.5716,https://www.genome.jp/dbget-bin/www_bget?dr:D07216
2727,D08207, Methylergometrine (INN), Ergot alkaloids,G02AB01,GENITO URINARY SYSTEM AND SEX HORMONES,c12c3C4=C[C@H](C[N@H+]([C@@H]4Cc1c[nH]c2ccc3)C)C(=O)N[C@@H](CC)CO,340.439,2.4677,104.32799999999999,69.56,29,4,3,UNBRKDKAWYKMIV-QWQRMKEZSA-O,C20H26N3O2+,CCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CO,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/p+1/t13-,14+,18-/m1/s1",-6.0434,-5.7172,-4.6149,-4.564,-4.3507,-3.8362,1.8414,1.973,1.9991,2.0391,2.4638,D08207_G02AB01,2026010200020424130c260000404004000000c048204808000000800030240118004091008080230886201a00050040010200001204620044010002000400300c020e0042000800000861000289029800900041040030086a091900c008400002040000c02008800000000080110400100691410203900100dc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008400000000000000000000004640c02a04,0000000200003300018c36de9f719e03052759ff1f,0,10,42,2,0,5,51,54,-11.312000000000001,-3.931,4,0.0,0.006792885,+,1.3599,-,1.3599,https://www.genome.jp/dbget-bin/www_bget?dr:D08207
2728,D00680, Methylergonovine maleate (USP), Ergot alkaloids,G02AB01,GENITO URINARY SYSTEM AND SEX HORMONES,c12c3C4=C[C@H](C[N@H+]([C@@H]4Cc1c[nH]c2ccc3)C)C(=O)N[C@@H](CC)CO,340.439,2.4677,104.32799999999999,69.56,29,4,3,UNBRKDKAWYKMIV-QWQRMKEZSA-O,C20H26N3O2+,CCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CO,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/p+1/t13-,14+,18-/m1/s1",-6.0455,-5.7256,-4.6226,-4.5604,-4.3655,-3.8255,1.8526,1.8949,1.9959,2.0425,2.4,D00680_G02AB01,2026010200020424130c260000404004000000c048204808000000800030240118004091008080230886201a00050040010200001204620044010002000400300c020e0042000800000861000289029800900041040030086a091900c008400002040000c02008800000000080110400100691410203900100dc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008400000000000000000000004640c02a04,0000000200003300018c36de9f719e03052759ff1f,0,10,42,2,0,5,51,54,-11.321,-3.984,4,0.0,0.006621738,+,1.3599,-,1.3599,https://www.genome.jp/dbget-bin/www_bget?dr:D00680
2729,D07906, Ergotamine (INN), Ergot alkaloids,G02AB02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c3c(C[C@@H]4C1=C[C@H](C[N@H+]4C)C(=O)N[C@@]1(O[C@@]4(N(C1=O)[C@H](C(=O)N1[C@H]4CCC1)Cc1ccccc1)O)C)c[nH]c3ccc2,582.669,2.4096,171.305,119.41,44,4,8,XCGSFFUVFURLIX-VFGNJEKYSA-O,C33H36N5O5+,O=C(C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/p+1/t21-,25-,26+,27+,32-,33+/m1/s1",-6.0586,-5.9823,-5.7333,-5.6664,-4.8722,-4.6115,2.5946,2.6077,2.8289,3.0708,3.4198,D07906_G02AB02,20260102004204a41b0c26000042400c210020f04820c81802100880003c24313c00509323808033b886243a20050040010200001a0d660044010882400480300c123e184a101880032b61010e8902be00f0014104203008ea091900c00ac0000e0400a0c0300a801080030080110c00100791c50203900100fed02912000002,0500000c30f001,1700400204000000030080002a0000000000000000008400000000000000000000004640c02a04,000040020000130181cc36df9fe3bcc7956fffff1f,0,16,66,4,0,5,79,86,-11.18,-3.636,7,0.0,0.348259151,+,5.6157,-,5.6157,https://www.genome.jp/dbget-bin/www_bget?dr:D07906
2730,D07906, Ergotamine (INN), Ergot alkaloids,N02CA02,NERVOUS SYSTEM,c12c3c(C[C@@H]4C1=C[C@H](C[N@H+]4C)C(=O)N[C@@]1(O[C@@]4(N(C1=O)[C@H](C(=O)N1[C@H]4CCC1)Cc1ccccc1)O)C)c[nH]c3ccc2,582.669,2.4096,171.305,119.41,44,4,8,XCGSFFUVFURLIX-VFGNJEKYSA-O,C33H36N5O5+,O=C(C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/p+1/t21-,25-,26+,27+,32-,33+/m1/s1",-6.0541,-5.9801,-5.7954,-5.675,-4.8607,-4.6451,2.6018,2.6198,2.8469,3.0788,3.4443,D07906_N02CA02,20260102004204a41b0c26000042400c210020f04820c81802100880003c24313c00509323808033b886243a20050040010200001a0d660044010882400480300c123e184a101880032b61010e8902be00f0014104203008ea091900c00ac0000e0400a0c0300a801080030080110c00100791c50203900100fed02912000002,0500000c30f001,1700400204000000030080002a0000000000000000008400000000000000000000004640c02a04,000040020000130181cc36df9fe3bcc7956fffff1f,0,16,66,4,0,5,79,86,-11.18,-3.636,7,0.0,0.348259151,+,5.6157,-,5.6157,https://www.genome.jp/dbget-bin/www_bget?dr:D07906
2731,D07905, Ergometrine (INN), Ergot alkaloids,G02AB03,GENITO URINARY SYSTEM AND SEX HORMONES,c1cc2c3c(c1)C1=C[C@@H](C(=O)N[C@H](CO)C)C[N@H+]([C@@H]1Cc3c[nH]2)C,326.413,2.0776,99.5209,69.56,27,4,3,WVVSZNPYNCNODU-XTQGRXLLSA-O,C19H24N3O2+,OCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)C,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/p+1/t11-,13+,17+/m0/s1",-6.0435,-5.7226,-4.6278,-4.548,-4.3261,-3.8362,1.8514,1.9037,2.0047,2.0855,2.3985,D07905_G02AB03,2026010200020424130c260000404004000000c048204808000000800030240118004091008080230886201a00050040010200001204220044010002000400300c020e0042000800000861000289029800900041040030086a091900c008400002040000c02008800000000080110400100691410203900100cc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008400000000000000000000004640c02a04,0000000200003300018c36de9f719c03052759ff1f,0,10,39,2,0,4,48,51,-11.289000000000001,-3.9160000000000004,4,0.0,0.003558714,+,1.3487,-,1.3487,https://www.genome.jp/dbget-bin/www_bget?dr:D07905
2732,D01163, Ergonovine maleate (USP), Ergot alkaloids,G02AB03,GENITO URINARY SYSTEM AND SEX HORMONES,c1cc2c3c(c1)C1=C[C@@H](C(=O)N[C@H](CO)C)C[N@H+]([C@@H]1Cc3c[nH]2)C,326.413,2.0776,99.5209,69.56,27,4,3,WVVSZNPYNCNODU-XTQGRXLLSA-O,C19H24N3O2+,OCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)C,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/p+1/t11-,13+,17+/m0/s1",-6.0448,-5.7314,-4.6179,-4.5666,-4.3462,-3.8424,1.8525,1.9162,1.993,2.0285,2.4497,D01163_G02AB03,2026010200020424130c260000404004000000c048204808000000800030240118004091008080230886201a00050040010200001204220044010002000400300c020e0042000800000861000289029800900041040030086a091900c008400002040000c02008800000000080110400100691410203900100cc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008400000000000000000000004640c02a04,0000000200003300018c36de9f719c03052759ff1f,0,10,39,2,0,4,48,51,-11.290999999999999,-3.915,4,,0.0035578520000000002,+,1.3487,-,1.3487,https://www.genome.jp/dbget-bin/www_bget?dr:D01163
2733,D00081, Dinoprost (JP17/USAN/INN), Prostaglandins,G02AD01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O,354.481,3.0429,100.449,97.99,38,4,5,PXGPLTODNUVGFL-YNNPMVKQSA-N,C20H34O5,CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",-4.6009,-4.4993,-2.9009,-2.0095,-1.9380000000000002,-1.9233,1.2329999999999999,1.4142,1.4375,2.1567,2.376,D00081_G02AD01,00000000000002240000000100000000000000800042400000040000001020001000000000800001000a0000000000000120000010204001000000000000000008000800040400000000800000800204001000400002000008801000000000000204002800000000000000000000280000000000000800000000008100000100,0400002c00a003,172800000000000000008800000000000000000000000000000000000000000000000000432804,00000000000010000000008784082ec40d4ca6d618,0,0,56,3,0,12,59,59,-4.333,3.2689999999999997,5,-2.0,0.000472884,-,1.225,-,1.225,https://www.genome.jp/dbget-bin/www_bget?dr:D00081
2734,D01352, Dinoprost tromethamine (JAN/USP), Prostaglandins,G02AD01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@H](CCCCC)O)C/C=C/CCCC(=O)O,354.481,3.0429,100.449,97.99,38,4,5,PXGPLTODNUVGFL-UAAPODJFSA-N,C20H34O5,CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18-,19+/m0/s1",-4.5212,-4.4721,-2.8592,-1.9666,-1.9306,-1.8988,1.2148,1.2219,1.4408,1.8306,2.3665,D01352_G02AD01,00000000000002240000000100000000000000800042400000040000001020001000000000800001000a0000000000000120000010204001000000000000000008000800040400000000800000800204001000400002000008801000000000000204002800000000000000000000280000000000000800000000008100000100,0400002c00a003,172800000000000000008800000000000000000000000000000000000000000000000000432804,00000000000010000000008784082ec40d4ca6d618,0,0,56,3,0,12,59,59,-4.314,3.185,5,,0.000506174,-,1.225,-,1.225,https://www.genome.jp/dbget-bin/www_bget?dr:D01352
2735,D00079, Dinoprostone (JAN/USP/INN), Prostaglandins,G02AD02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O)C/C=C/CCCC(=O)O,352.465,3.2511,99.4874,94.83,36,3,5,XEYBRNLFEZDVAW-BRNHSORCSA-N,C20H32O5,CCCCCC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,19+/m0/s1",-4.5881,-4.5135,-3.0501,-2.8555,-1.9598,-1.3729,1.2131,1.2138,1.2619,1.2797,2.3785,D00079_G02AD02,00000000000002240000008100000000000000800042400000040000001020001000000000800001000a0000000000000100000210204000000000000000000008000800040400000000800008800214001000400002000008801000000000000204002800000000000000000000080000000000000800000000000100000500,1400002c00a003,172800000000010000008800000000000000000000000000000000000000000000000000432805,00000000000000000000008784082ec48d4ca6d618,0,0,53,4,0,12,57,57,-4.349,2.1430000000000002,4,1.0,0.000531027,-,1.4154,-,1.4154,https://www.genome.jp/dbget-bin/www_bget?dr:D00079
2736,D03269, Dinoprostone betadex (JAN), Prostaglandins,G02AD02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@@H](O)[C@@H](O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]6[C@@H]([C@@H](O)[C@@H](O2)O[C@@H]6CO)O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO)[C@@H]([C@H]3O)O)CO)O[C@@H]1CO)O)CO)CO,1134.98,-15.2306,226.68400000000003,554.05,105,21,35,WHGYBXFWUBPSRW-FOUAGVGXSA-N,C42H70O35,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",-3.2032,-3.1677,-3.1636,-3.1631,-3.1614,-3.1562,2.2932,2.3134,2.4577,2.4901,2.4937,D03269_G02AD02,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,154,0,0,7,147,154,-10.261,0.667,35,,1.65352e-05,+,14.7538,-,14.7538,https://www.genome.jp/dbget-bin/www_bget?dr:D03269
2737,D02073, Gemeprost (JAN/USAN/INN), Prostaglandins,G02AD03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H]([C@@H](CC1=O)O)/C=C/[C@H](C(CCCC)(C)C)O)CCCC/C=C/C(=O)OC,394.545,3.9756,113.162,83.83,43,2,5,KYBOHGVERHWSSV-VNIVIJDLSA-N,C23H38O5,CCCCC(C(C=CC1C(O)CC(=O)C1CCCCC=CC(=O)OC)O)(C)C,"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13+/t17-,18-,20-,21-/m1/s1",-4.798,-3.2009,-2.9979,-2.8696,-1.9189,-1.4132,1.0693,1.2155,1.2227,1.2363,1.3294,D02073_G02AD03,10000000000002240000008100020000000000800040400000040000001020001000000000800001800a0000000000000100000210204100000000000000020008000800040400000000800008800214009000400002004000801000000000010204002880000000000800000000080000000000000800000000000100000500,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000000040437805,00000000000000000202009784882ee48d5cb6d618,0,0,62,4,0,13,66,66,-10.168,0.033,4,,0.69609195,-,1.5038,-,1.5038,https://www.genome.jp/dbget-bin/www_bget?dr:D02073
2738,D02343, Carboprost (USAN/INN), Prostaglandins,G02AD04,GENITO URINARY SYSTEM AND SEX HORMONES,C(CCC(=O)O)/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@@](CCCCC)(C)O,368.50800000000004,3.4330000000000003,105.294,97.99,40,4,5,DLJKPYFALUEJCK-IIELGFQLSA-N,C21H36O5,CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)(O)C,"InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1",-4.5747,-4.4141,-2.8616,-1.9385,-1.9252,-1.8457,1.0699,1.1725,1.2327,1.4502,2.386,D02343_G02AD04,00000000000002240000000100000000000000800042400000040000001020001000000000800001000a0000000000000120000010204001000000000000000008000800040400000000800000800204001000400002000008801000000000000204002800000000000000000000280000000000000800000000008100000100,0400006c00a003,176800000000000000008800000000000000000000000000000000000000000000000000432804,00000000000010000200008784882ec40d4cb6d618,0,0,59,3,0,12,62,62,-4.354,3.395,5,,0.000560042,-,1.3698,-,1.3698,https://www.genome.jp/dbget-bin/www_bget?dr:D02343
2739,D00682, Carboprost tromethamine (USP), Prostaglandins,G02AD04,GENITO URINARY SYSTEM AND SEX HORMONES,C(CCC(=O)O)/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@@](CCCCC)(C)O,368.50800000000004,3.4330000000000003,105.294,97.99,40,4,5,DLJKPYFALUEJCK-IIELGFQLSA-N,C21H36O5,CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)(O)C,"InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1",-4.7419,-4.2891,-2.8438,-1.9809,-1.9274,-1.7834,1.1892,1.2167,1.6951,1.8430000000000002,2.4419,D00682_G02AD04,00000000000002240000000100000000000000800042400000040000001020001000000000800001000a0000000000000120000010204001000000000000000008000800040400000000800000800204001000400002000008801000000000000204002800000000000000000000280000000000000800000000008100000100,0400006c00a003,176800000000000000008800000000000000000000000000000000000000000000000000432804,00000000000010000200008784882ec40d4cb6d618,0,0,59,3,0,12,62,62,-4.354,3.395,5,,0.000559945,-,1.3698,-,1.3698,https://www.genome.jp/dbget-bin/www_bget?dr:D00682
2740,D03399, Carboprost methyl (USAN), Prostaglandins,G02AD04,GENITO URINARY SYSTEM AND SEX HORMONES,C(CCC(=O)OC)/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@@](CCCCC)(C)O,382.534,3.5214,109.61399999999999,86.99,43,3,5,QQCOAAFKJZXJFP-XAYIDPIISA-N,C22H38O5,CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)OC)O)(O)C,"InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1",-4.3829,-3.0369,-2.8560000000000003,-1.9378,-1.9207,-1.2158,1.0812,1.1305,1.1792,1.2304,1.5245,D03399_G02AD04,00000000000002240000000100020000000000800042400000040000001020001000000000800001000a0000000000000120000010204001000000000000820008000800040400000000800000800204009000400002000008801000000000000204002800000000000000000000280000010100000800000000008100000100,0400006c30a005,176800000000000000009000000000000000000000000000000000000000000000000000432805,00000000000010000200009784882ee40d5cb6d618,0,0,62,3,0,13,65,65,-9.551,0.9329999999999999,5,,0.29973802,-,1.3676,-,1.3676,https://www.genome.jp/dbget-bin/www_bget?dr:D03399
2741,D02725, Sulprostone (USAN/INN), Prostaglandins,G02AD05,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1([C@H](C(=O)C[C@H]1O)C/C=C\CCCC(=O)NS(=O)(=O)C)/C=C/[C@H](COc1ccccc1)O,465.56,3.2127,121.273,138.38,39,3,8,UQZVCDCIMBLVNR-MCOQOZQRSA-N,C23H31NO7S,O=C(NS(=O)(=O)C)CCCC=CCC1C(=O)CC(C1C=CC(COc1ccccc1)O)O,"InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13+/t17-,19-,20-,22-/m1/s1",-9.1126,-8.6736,-8.5902,-6.0597,-4.9544,-4.7349,2.4223,2.8061,2.8933,2.9998,3.5802,D02725_G02AD05,700201000000022400000681000200000c0080800042400000040000001020021000001800a00005000600180000000001c002021020410000000000000000020820080005046081010080000a8082140090014000230000c8885000000000000214002800000002000000020010080000063101080800200800000100000504,1400002c50b001,162802000000010000008000000000000000000000000000000020000000000000000200432805,000000800100441a940180bfa4fa31e88f4ceeff1f,0,6,52,6,0,13,63,64,-9.177999999999999,-1.5819999999999999,4,1.0,0.42299965,-,1.7505,-,1.7505,https://www.genome.jp/dbget-bin/www_bget?dr:D02725
2742,D02359, Ritodrine (USAN/INN)," Sympathomimetics, labour repressants",G02CA01,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@@H]([NH2+]CCc2ccc(cc2)O)C)O)ccc(cc1)O,288.361,1.3258,84.3902,77.3,25,4,3,IOVGROKTTNBUGK-SJCJKPOMSA-O,C17H22NO3+,Oc1ccc(cc1)CC[NH2+]C(C(c1ccc(cc1)O)O)C,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17-/m0/s1",-5.6992,-5.685,-4.3537,-4.3318,-2.8868,-2.1786,1.5659999999999998,1.5677,1.585,1.7733,1.9561,D02359_G02CA01,0026000000000040020006000000000400000000000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000a44884829400444c7fd1f,0,12,32,0,0,6,43,44,-12.022,-3.845,2,2.0,0.000915872,-,0.3227,-,0.3227,https://www.genome.jp/dbget-bin/www_bget?dr:D02359
2743,D01263, Ritodrine hydrochloride (JP17/USP)," Sympathomimetics, labour repressants",G02CA01,GENITO URINARY SYSTEM AND SEX HORMONES,c1([C@H]([C@@H]([NH2+]CCc2ccc(cc2)O)C)O)ccc(cc1)O,288.361,1.3258,84.3902,77.3,25,4,3,IOVGROKTTNBUGK-SJCJKPOMSA-O,C17H22NO3+,Oc1ccc(cc1)CC[NH2+]C(C(c1ccc(cc1)O)O)C,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17-/m0/s1",-5.7052,-5.6777,-4.3777,-4.3231,-2.8919,-2.1998,1.5619,1.5687,1.5928,1.776,1.9609999999999999,D01263_G02CA01,0026000000000040020006000000000400000000000052000000008000000000100040810000000320002018000100000102020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000008000000000060100000110200800000000000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000210000000a44884829400444c7fd1f,0,12,32,0,0,6,43,44,-12.024000000000001,-3.844,2,,0.000915793,-,0.3227,-,0.3227,https://www.genome.jp/dbget-bin/www_bget?dr:D01263
2744,D04157, Fenoterol (USAN/INN)," Sympathomimetics, labour repressants",G02CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.6864,-5.686,-4.3485,-4.3221,-2.9014,-2.1753,1.5494,1.5596,1.5822,1.781,1.9861,D04157_G02CA03,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.104000000000001,-3.923,2,2.0,7.49198e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D04157
2745,D04157, Fenoterol (USAN/INN), Selective beta-2-adrenoreceptor agonists,R03AC04,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.6891,-5.6825,-4.3668,-4.3359,-2.8988,-2.2002,1.5576,1.5677,1.5887,1.7796,1.9848,D04157_R03AC04,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.104000000000001,-3.923,2,2.0,7.49198e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D04157
2746,D04157, Fenoterol (USAN/INN), Selective beta-2-adrenoreceptor agonists,R03CC04,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.6999,-5.6609,-4.3756,-4.3341,-2.8935,-2.2199,1.5549,1.5588,1.5925,1.7966,1.9822,D04157_R03CC04,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.104000000000001,-3.923,2,2.0,7.49198e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D04157
2747,D01428, Fenoterol hydrobromide (JAN)," Sympathomimetics, labour repressants",G02CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.7105,-5.6592,-4.3485,-4.3327,-2.8949,-2.2137,1.5625,1.5683,1.5899,1.7941,1.9776,D01428_G02CA03,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.105,-3.924,2,,7.4891899999999995e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D01428
2748,D01428, Fenoterol hydrobromide (JAN), Selective beta-2-adrenoreceptor agonists,R03AC04,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.7046,-5.6687,-4.3598,-4.3309,-2.9048,-2.1909,1.5581,1.5621,1.5875,1.7791,1.9781,D01428_R03AC04,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.105,-3.924,2,,7.4891899999999995e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D01428
2749,D01428, Fenoterol hydrobromide (JAN), Selective beta-2-adrenoreceptor agonists,R03CC04,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@H]([NH2+]C[C@@H](c1cc(cc(c1)O)O)O)C)O,304.361,1.0314,86.4132,97.53,26,5,4,LSLYOANBFKQKPT-DIFFPNOSSA-O,C17H22NO4+,CC(Cc1ccc(cc1)O)[NH2+]CC(c1cc(O)cc(c1)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1",-5.6936,-5.6775,-4.3335,-4.3009,-2.8891,-2.1999,1.5564,1.5691,1.5757,1.7874,1.9781,D01428_R03CC04,002600000000004002000600000000040000000000001200000000800000000010004081000000022000201800010000010a020000000000000000020000001008000800000008000000000002000000008000400000300840080800800900000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,032840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000000a4188400d400d4cc3fd1f,0,12,33,0,0,6,44,45,-12.105,-3.924,2,,7.4891899999999995e-06,-,0.6637,+,0.6637,https://www.genome.jp/dbget-bin/www_bget?dr:D01428
2750,D03165, Bromocriptine (USAN/INN), Prolactine inhibitors,G02CB01,GENITO URINARY SYSTEM AND SEX HORMONES,N12[C@]([C@H]3N(C(=O)[C@@H]2CC(C)C)CCC3)(O[C@](C1=O)(NC(=O)[C@@H]1C=C2c3c4c(C[C@H]2[N@@H+](C1)C)c([nH]c4ccc3)Br)C(C)C)O,655.602,3.6116,178.553,119.41,49,4,8,OZVBMTJYIDMWIL-AYFBDAFISA-O,C32H41BrN5O5+,CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/p+1/t18-,23-,24+,25+,31-,32+/m1/s1",-6.0325,-5.9596,-5.7565,-5.7291,-4.8869,-4.6283,2.5860000000000003,2.6144,2.8512,3.0774,3.4127,D03165_G02CB01,2026011a084204a4130c26000042400c210020f04820da1802100880003424313c00509323808033f886243a3005004001420000160d660044050982400480300c123e184a1258c0032b61013e8902be00f6014104203008ea091900c00ac0000a0420a0c0388ac01080030080110c00100791c50203900100fcd02952400102,0500000c30f001,1700400204000000030080002a0000000000000000108400000000000000000000004640c02a04,000040020020130181ce76df9fe7bcc7b5ffffff1f,0,10,76,4,0,6,84,90,-11.308,-3.628,7,,0.035570677,+,5.4045,-,5.4045,https://www.genome.jp/dbget-bin/www_bget?dr:D03165
2751,D03165, Bromocriptine (USAN/INN), Dopamine agonists,N04BC01,NERVOUS SYSTEM,N12[C@]([C@H]3N(C(=O)[C@@H]2CC(C)C)CCC3)(O[C@](C1=O)(NC(=O)[C@@H]1C=C2c3c4c(C[C@H]2[N@@H+](C1)C)c([nH]c4ccc3)Br)C(C)C)O,655.602,3.6116,178.553,119.41,49,4,8,OZVBMTJYIDMWIL-AYFBDAFISA-O,C32H41BrN5O5+,CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/p+1/t18-,23-,24+,25+,31-,32+/m1/s1",-6.0209,-5.9846,-5.7286,-5.7279,-4.863,-4.619,2.6122,2.6286,2.8335,3.0624,3.4194,D03165_N04BC01,2026011a084204a4130c26000042400c210020f04820da1802100880003424313c00509323808033f886243a3005004001420000160d660044050982400480300c123e184a1258c0032b61013e8902be00f6014104203008ea091900c00ac0000a0420a0c0388ac01080030080110c00100791c50203900100fcd02952400102,0500000c30f001,1700400204000000030080002a0000000000000000108400000000000000000000004640c02a04,000040020020130181ce76df9fe7bcc7b5ffffff1f,0,10,76,4,0,6,84,90,-11.308,-3.628,7,,0.035570677,+,5.4045,-,5.4045,https://www.genome.jp/dbget-bin/www_bget?dr:D03165
2752,D00780, Bromocriptine mesylate (USP), Prolactine inhibitors,G02CB01,GENITO URINARY SYSTEM AND SEX HORMONES,N12[C@]([C@H]3N(C(=O)[C@@H]2CC(C)C)CCC3)(O[C@](C1=O)(NC(=O)[C@@H]1C=C2c3c4c(C[C@H]2[N@@H+](C1)C)c([nH]c4ccc3)Br)C(C)C)O,655.602,3.6116,178.553,119.41,49,4,8,OZVBMTJYIDMWIL-AYFBDAFISA-O,C32H41BrN5O5+,CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/p+1/t18-,23-,24+,25+,31-,32+/m1/s1",-6.0476,-5.9874,-5.7059,-5.7033,-4.8437,-4.6391,2.6061,2.6276,2.8471,3.0827,3.4277,D00780_G02CB01,2026011a084204a4130c26000042400c210020f04820da1802100880003424313c00509323808033f886243a3005004001420000160d660044050982400480300c123e184a1258c0032b61013e8902be00f6014104203008ea091900c00ac0000a0420a0c0388ac01080030080110c00100791c50203900100fcd02952400102,0500000c30f001,1700400204000000030080002a0000000000000000108400000000000000000000004640c02a04,000040020020130181ce76df9fe7bcc7b5ffffff1f,0,10,76,4,0,6,84,90,-11.312999999999999,-3.627,7,0.0,0.035568714,+,5.4045,-,5.4045,https://www.genome.jp/dbget-bin/www_bget?dr:D00780
2753,D00780, Bromocriptine mesylate (USP), Dopamine agonists,N04BC01,NERVOUS SYSTEM,N12[C@]([C@H]3N(C(=O)[C@@H]2CC(C)C)CCC3)(O[C@](C1=O)(NC(=O)[C@@H]1C=C2c3c4c(C[C@H]2[N@@H+](C1)C)c([nH]c4ccc3)Br)C(C)C)O,655.602,3.6116,178.553,119.41,49,4,8,OZVBMTJYIDMWIL-AYFBDAFISA-O,C32H41BrN5O5+,CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/p+1/t18-,23-,24+,25+,31-,32+/m1/s1",-5.9852,-5.9836,-5.7462,-5.7379999999999995,-4.8428,-4.6312,2.6255,2.8134,2.8173,3.0756,3.4116,D00780_N04BC01,2026011a084204a4130c26000042400c210020f04820da1802100880003424313c00509323808033f886243a3005004001420000160d660044050982400480300c123e184a1258c0032b61013e8902be00f6014104203008ea091900c00ac0000a0420a0c0388ac01080030080110c00100791c50203900100fcd02952400102,0500000c30f001,1700400204000000030080002a0000000000000000108400000000000000000000004640c02a04,000040020020130181ce76df9fe7bcc7b5ffffff1f,0,10,76,4,0,6,84,90,-11.312999999999999,-3.627,7,0.0,0.035568714,+,5.4045,-,5.4045,https://www.genome.jp/dbget-bin/www_bget?dr:D00780
2754,D08132, Lisuride (INN), Prolactine inhibitors,G02CB02,GENITO URINARY SYSTEM AND SEX HORMONES,c1cc2c3c(c1)C1=C[C@H](NC(=O)N(CC)CC)C[N@H+]([C@@H]1Cc3c[nH]2)C,339.455,3.3844,106.45100000000001,52.57,30,3,3,BKRGVLQUQGGVSM-KBXCAEBGSA-O,C20H27N4O+,CCN(C(=O)NC1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/p+1/t14-,18+/m0/s1",-5.9335,-5.782,-5.2629,-4.7227,-4.6684,-4.6424,2.041,2.3499,2.6489999999999996,2.8810000000000002,2.9762,D08132_G02CB02,202601000002042c030c26000040400c000101c048204808000000800020240118004093018080200884213a00010040011280004204220044050002100400200c010e00420000000028610002a9029800800041040030084a085b01800840000a240000842008800000000040110400100e91450203100200e8102932000000,0100000000f041,130040020400000000000000000000000040040000008400000000000000000000004640c02a04,0000000210002300015c36969e639e03153359af1f,0,10,43,2,0,5,52,55,-11.450999999999999,-3.926,3,0.0,0.008148622,+,1.3766,-,1.3766,https://www.genome.jp/dbget-bin/www_bget?dr:D08132
2755,D08132, Lisuride (INN), Ergot alkaloids,N02CA07,NERVOUS SYSTEM,c1cc2c3c(c1)C1=C[C@H](NC(=O)N(CC)CC)C[N@H+]([C@@H]1Cc3c[nH]2)C,339.455,3.3844,106.45100000000001,52.57,30,3,3,BKRGVLQUQGGVSM-KBXCAEBGSA-O,C20H27N4O+,CCN(C(=O)NC1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/p+1/t14-,18+/m0/s1",-5.9567,-5.7716,-5.2801,-4.743,-4.6628,-4.6341,2.05,2.3734,2.6496,2.9595,3.1139,D08132_N02CA07,202601000002042c030c26000040400c000101c048204808000000800020240118004093018080200884213a00010040011280004204220044050002100400200c010e00420000000028610002a9029800800041040030084a085b01800840000a240000842008800000000040110400100e91450203100200e8102932000000,0100000000f041,130040020400000000000000000000000040040000008400000000000000000000004640c02a04,0000000210002300015c36969e639e03153359af1f,0,10,43,2,0,5,52,55,-11.450999999999999,-3.926,3,0.0,0.008148622,+,1.3766,-,1.3766,https://www.genome.jp/dbget-bin/www_bget?dr:D08132
2756,D01462, Lisuride maleate (JAN), Prolactine inhibitors,G02CB02,GENITO URINARY SYSTEM AND SEX HORMONES,c1cc2c3c(c1)C1=C[C@H](NC(=O)N(CC)CC)C[N@H+]([C@@H]1Cc3c[nH]2)C,339.455,3.3844,106.45100000000001,52.57,30,3,3,BKRGVLQUQGGVSM-KBXCAEBGSA-O,C20H27N4O+,CCN(C(=O)NC1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/p+1/t14-,18+/m0/s1",-5.9458,-5.8239,-5.2406,-4.7425,-4.6811,-4.6608,2.0532,2.3819999999999997,2.6402,2.9513,3.1312,D01462_G02CB02,202601000002042c030c26000040400c000101c048204808000000800020240118004093018080200884213a00010040011280004204220044050002100400200c010e00420000000028610002a9029800800041040030084a085b01800840000a240000842008800000000040110400100e91450203100200e8102932000000,0100000000f041,130040020400000000000000000000000040040000008400000000000000000000004640c02a04,0000000210002300015c36969e639e03153359af1f,0,10,43,2,0,5,52,55,-11.434000000000001,-3.8680000000000003,3,-1.0,0.008711483,+,1.3766,-,1.3766,https://www.genome.jp/dbget-bin/www_bget?dr:D01462
2757,D01462, Lisuride maleate (JAN), Ergot alkaloids,N02CA07,NERVOUS SYSTEM,c1cc2c3c(c1)C1=C[C@H](NC(=O)N(CC)CC)C[N@H+]([C@@H]1Cc3c[nH]2)C,339.455,3.3844,106.45100000000001,52.57,30,3,3,BKRGVLQUQGGVSM-KBXCAEBGSA-O,C20H27N4O+,CCN(C(=O)NC1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/p+1/t14-,18+/m0/s1",-5.9458,-5.8127,-5.3052,-4.7617,-4.683,-4.57,2.0363,2.3575,2.6497,2.9671,3.0573,D01462_N02CA07,202601000002042c030c26000040400c000101c048204808000000800020240118004093018080200884213a00010040011280004204220044050002100400200c010e00420000000028610002a9029800800041040030084a085b01800840000a240000842008800000000040110400100e91450203100200e8102932000000,0100000000f041,130040020400000000000000000000000040040000008400000000000000000000004640c02a04,0000000210002300015c36969e639e03153359af1f,0,10,43,2,0,5,52,55,-11.434000000000001,-3.8680000000000003,3,-1.0,0.008711483,+,1.3766,-,1.3766,https://www.genome.jp/dbget-bin/www_bget?dr:D01462
2758,D00987, Cabergoline (JAN/USAN/INN), Prolactine inhibitors,G02CB03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12c3c4c(C[C@H]1[N@@H+](C[C@@H](C2)C(=O)N(C(=O)NCC)CCC[NH+](C)C)CC=C)c[nH]c4ccc3,453.62,2.3198,138.855,74.08,43,4,4,KORNTPPJEAJQIU-KJXAQDMKSA-P,C26H39N5O2++,C=CC[NH+]1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCC[NH+](C)C,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/p+2/t19-,21-,23-/m1/s1",-6.0398,-6.0321,-5.8383,-5.2984,-4.602,-4.5936,1.8796,1.9046,2.0308,2.2091,2.2716,D00987_G02CB03,2026400200021e04130006000200400400008010400008080000008000300500180050910000802138862d1800010240010200005024200004010002000000000c000e0040000000000861001a98009c0090015004003008e00909008008500000240020042000000000000000110400100e814102011000005c002102000100,0500000000f041,170040020400000000008000000000000040040000008400000000000000000000004600c02a05,00000000120001000196369f9f6bbe8385335def1f,0,10,62,3,0,11,72,75,-12.71,-6.449,4,,0.000421117,+,2.0879,-,2.0879,https://www.genome.jp/dbget-bin/www_bget?dr:D00987
2759,D00987, Cabergoline (JAN/USAN/INN), Dopamine agonists,N04BC06,NERVOUS SYSTEM,[C@@H]12c3c4c(C[C@H]1[N@@H+](C[C@@H](C2)C(=O)N(C(=O)NCC)CCC[NH+](C)C)CC=C)c[nH]c4ccc3,453.62,2.3198,138.855,74.08,43,4,4,KORNTPPJEAJQIU-KJXAQDMKSA-P,C26H39N5O2++,C=CC[NH+]1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCC[NH+](C)C,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/p+2/t19-,21-,23-/m1/s1",-6.0477,-6.0338,-5.7126,-5.6723,-4.6442,-4.6358,1.9489,2.0222,2.1139,2.1631,2.4995,D00987_N04BC06,2026400200021e04130006000200400400008010400008080000008000300500180050910000802138862d1800010240010200005024200004010002000000000c000e0040000000000861001a98009c0090015004003008e00909008008500000240020042000000000000000110400100e814102011000005c002102000100,0500000000f041,170040020400000000008000000000000040040000008400000000000000000000004600c02a05,00000000120001000196369f9f6bbe8385335def1f,0,10,62,3,0,11,72,75,-12.71,-6.449,4,,0.000421117,+,2.0879,-,2.0879,https://www.genome.jp/dbget-bin/www_bget?dr:D00987
2760,D07217, Quinagolide (INN/BAN), Prolactine inhibitors,G02CB04,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1O)C[C@@H]1[C@@H](C2)[N@@H+](C[C@H](C1)NS(=O)(=O)N(CC)CC)CCC,396.56699999999995,3.7599,114.288,82.46,39,3,5,GDFGTRDCCWFXTG-ZIFCJYIRSA-O,C20H34N3O3S+,CCC[NH+]1CC(CC2C1Cc1cccc(c1C2)O)NS(=O)(=O)N(CC)CC,"InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/p+1/t16-,17+,19-/m1/s1",-12.2543,-11.5152,-10.275,-10.1848,-6.0276,-5.7866,3.373,3.4841,3.5853,4.2435,4.3968,D07217_G02CB04,60260100040002400ac006400200000c100000100000000001000080000000003000d0b301400000100020380001000001420200002000040000000200020000082004022000402001002000020000004080835000207008c0090800800830000102002000000202020000c020000000000621010201102608020043a0000000,0100000402f001,070040020400000000000000000000000000000000010000004001000000000000004600c02a04,000000000100611a1455b326bacb3fcb97f7dffd1f,0,6,55,2,0,7,61,63,-11.991,-4.11,4,1.0,0.009448863,-,1.1882,-,1.1882,https://www.genome.jp/dbget-bin/www_bget?dr:D07217
2761,D08457, Quinagolide hydrochloride (BAN), Prolactine inhibitors,G02CB04,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1O)C[C@@H]1[C@@H](C2)[N@@H+](C[C@H](C1)NS(=O)(=O)N(CC)CC)CCC,396.56699999999995,3.7599,114.288,82.46,39,3,5,GDFGTRDCCWFXTG-ZIFCJYIRSA-O,C20H34N3O3S+,CCC[NH+]1CC(CC2C1Cc1cccc(c1C2)O)NS(=O)(=O)N(CC)CC,"InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/p+1/t16-,17+,19-/m1/s1",-12.2648,-11.597000000000001,-10.3805,-10.1073,-5.9879999999999995,-5.8744,3.4502,3.4519,3.5908,4.2489,4.3708,D08457_G02CB04,60260100040002400ac006400200000c100000100000000001000080000000003000d0b301400000100020380001000001420200002000040000000200020000082004022000402001002000020000004080835000207008c0090800800830000102002000000202020000c020000000000621010201102608020043a0000000,0100000402f001,070040020400000000000000000000000000000000010000004001000000000000004600c02a04,000000000100611a1455b326bacb3fcb97f7dffd1f,0,6,55,2,0,7,61,63,-11.99,-4.111000000000001,4,1.0,0.008644595,-,1.1882,-,1.1882,https://www.genome.jp/dbget-bin/www_bget?dr:D08457
2762,D07218, Metergoline (INN), Prolactine inhibitors,G02CB05,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12c3c4c(C[C@H]1[N@@H+](C[C@@H](C2)CNC(=O)OCc1ccccc1)C)cn(c4ccc3)C,404.525,4.6077,124.096,47.7,33,2,4,WZHJKEUHNJHDLS-QTGUNEKASA-O,C25H30N3O2+,O=C(OCc1ccccc1)NCC1C[NH+](C)C2C(C1)c1cccc3c1c(C2)cn3C,"InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/p+1/t18-,21+,23+/m0/s1",-6.0411,-6.0162,-5.2715,-4.6162,-4.6032,-4.495,1.8,2.0326,2.0552,2.0653,2.2908,D07218_G02CB05,20260000000206c053000600020240040000a0104000000802200080002004001c00509101008021f88c2c180001004001020000802c200004048882000002000c001e0a4000000000086100028800980080015004003008e0090900800b5000000000200020000000c00000005104001006814102011000005c402102000001,0100000030f001,060040020400000000000000000000000040000100008800000000000000000000004600c02a04,0000400000001100018436929a7b9ca7052359ff1f,0,16,47,1,0,6,60,64,-11.187000000000001,-3.3360000000000003,4,0.0,0.122544117,+,1.6925,-,1.6925,https://www.genome.jp/dbget-bin/www_bget?dr:D07218
2763,D01348, Terguride (JAN/INN), Prolactine inhibitors,G02CB06,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2[C@@H]3[C@@H](Cc4c2c1[nH]c4)[N@@H+](C[C@H](C3)NC(=O)N(CC)CC)C,341.47,3.4747,106.133,52.57,32,3,3,JOAHPSVPXZTVEP-YXJHDRRASA-O,C20H29N4O+,CCN(C(=O)NC1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)CC,"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/p+1/t14-,16+,18+/m0/s1",-5.9652,-5.2836,-4.7798,-4.6619,-4.6254,-4.6038,2.0432,2.3808,2.6378,2.972,3.1630000000000003,D01348_G02CB06,2026000000020e000b0006000200400c0000801040000008000000800020050018005093010080211884253800010040010200004024200004000002100000000c000e00400000000028600002b800980080035004003008c0080b008008700008200020042000000000000000110400100e814502011000007a002102000000,0100000000f041,070040020400000000000000000000000040040000008400000000000000000000004600c02a04,0000000010002100015436969a6b9e83153359af1f,0,10,46,1,0,5,54,57,-11.44,-3.59,4,-1.0,0.016546758,+,1.2855,-,1.2855,https://www.genome.jp/dbget-bin/www_bget?dr:D01348
2764,D00118, Naproxen (JP17/USP/INN), Antiinflammatory products for vaginal administration,G02CC02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5521,-4.4304,-1.3356,-1.026,-0.7862,-0.6898,0.4653,0.47,0.5975,1.2677,2.379,D00118_G02CC02,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.434,2.3890000000000002,1,3.0,2.87515e-05,-,0.2506,-,0.2506,https://www.genome.jp/dbget-bin/www_bget?dr:D00118
2765,D00118, Naproxen (JP17/USP/INN), Propionic acid derivatives,M01AE02,MUSCULO-SKELETAL SYSTEM,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5541,-4.4302,-1.3347,-1.0253,-0.7869,-0.6886,0.4724,0.47600000000000003,0.5992,1.266,2.3785,D00118_M01AE02,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.434,2.3890000000000002,1,3.0,2.87515e-05,-,0.2506,-,0.2506,https://www.genome.jp/dbget-bin/www_bget?dr:D00118
2766,D00118, Naproxen (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA12,MUSCULO-SKELETAL SYSTEM,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5545,-4.4246,-1.3353,-1.0272,-0.7868,-0.6907,0.4686,0.4724,0.5994,1.2704,2.3779,D00118_M02AA12,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.434,2.3890000000000002,1,3.0,2.87515e-05,-,0.2506,-,0.2506,https://www.genome.jp/dbget-bin/www_bget?dr:D00118
2767,D00970, Naproxen sodium (USP), Antiinflammatory products for vaginal administration,G02CC02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5607,-4.4071,-1.3335,-1.0277,-0.7859999999999999,-0.6890000000000001,0.4728,0.4767,0.5989,1.2691,2.3771,D00970_G02CC02,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.4319999999999995,2.391,1,,2.54598e-05,-,0.2352,-,0.2352,https://www.genome.jp/dbget-bin/www_bget?dr:D00970
2768,D00970, Naproxen sodium (USP), Propionic acid derivatives,M01AE02,MUSCULO-SKELETAL SYSTEM,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5518,-4.4294,-1.3345,-1.0261,-0.7854,-0.69,0.4749,0.4753,0.5978,1.2679,2.3792,D00970_M01AE02,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.4319999999999995,2.391,1,,2.54598e-05,-,0.2352,-,0.2352,https://www.genome.jp/dbget-bin/www_bget?dr:D00970
2769,D00970, Naproxen sodium (USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA12,MUSCULO-SKELETAL SYSTEM,c12c(cc(cc2)OC)ccc(c1)[C@@H](C(=O)O)C,230.25900000000001,3.0365,66.7918,46.53,16,1,3,CMWTZPSULFXXJA-VIFPVBQESA-N,C14H14O3,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",-4.5509,-4.4098,-1.3335,-1.0259,-0.7849,-0.6890000000000001,0.4713,0.473,0.5969,1.2699,2.3788,D00970_M02AA12,00040000002000000200020000020000000000000000000000000080000000001000400000000001080a0008000000000000020000000000000000020000000808000800010004410000000002800001009000400000000840080800000000000000000000000002000000004010000000020100080100200800000000000000,0400000c50b003,050002000000000000008800000000000000000000000000000000000000000000004200402804,00000000000000000000001010010164004493d21e,0,11,20,1,0,3,31,32,-4.4319999999999995,2.391,1,,2.54598e-05,-,0.2352,-,0.2352,https://www.genome.jp/dbget-bin/www_bget?dr:D00970
2770,D10017, Naproxen etemesil (USAN), Antiinflammatory products for vaginal administration,G02CC02,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)cc(cc2)[C@@H](C(=O)OCCS(=O)(=O)C)C)OC,336.403,3.6205,89.69,78.05,25,0,5,JGBUBSOKFSVXKS-LBPRGKRZSA-N,C17H20O5S,COc1ccc2c(c1)ccc(c2)C(C(=O)OCCS(=O)(=O)C)C,"InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1",-7.0514,-7.0197,-4.4227,-2.9871,-2.0028,-1.6849,1.2343,1.2763,1.5393,1.6230000000000002,2.2201,D10017_G02CC02,20040304002000000200020200020000002000002000000080000080000400001000500000008001080a0008200001000000020000000004000000020000020c08000800110004c10000048002800001009000400030000840480800000000004000000000000002000000004010000000021100090100200800000400000000,04000000703105,050002000000000000009000000000000000000000000000800000000000000000004200402805,000000000000441a0401a01130992d6c8a5a9fd71e,0,11,30,3,0,7,43,44,-8.66,-1.6340000000000001,1,2.0,0.258958638,-,0.6829,-,0.6829,https://www.genome.jp/dbget-bin/www_bget?dr:D10017
2771,D10017, Naproxen etemesil (USAN), Propionic acid derivatives,M01AE02,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)cc(cc2)[C@@H](C(=O)OCCS(=O)(=O)C)C)OC,336.403,3.6205,89.69,78.05,25,0,5,JGBUBSOKFSVXKS-LBPRGKRZSA-N,C17H20O5S,COc1ccc2c(c1)ccc(c2)C(C(=O)OCCS(=O)(=O)C)C,"InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1",-7.056,-7.0049,-4.4203,-2.9856,-2.0052,-1.6834,1.2297,1.2722,1.5419999999999998,1.6179,2.2121,D10017_M01AE02,20040304002000000200020200020000002000002000000080000080000400001000500000008001080a0008200001000000020000000004000000020000020c08000800110004c10000048002800001009000400030000840480800000000004000000000000002000000004010000000021100090100200800000400000000,04000000703105,050002000000000000009000000000000000000000000000800000000000000000004200402805,000000000000441a0401a01130992d6c8a5a9fd71e,0,11,30,3,0,7,43,44,-8.66,-1.6340000000000001,1,2.0,0.258958638,-,0.6829,-,0.6829,https://www.genome.jp/dbget-bin/www_bget?dr:D10017
2772,D10017, Naproxen etemesil (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA12,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)cc(cc2)[C@@H](C(=O)OCCS(=O)(=O)C)C)OC,336.403,3.6205,89.69,78.05,25,0,5,JGBUBSOKFSVXKS-LBPRGKRZSA-N,C17H20O5S,COc1ccc2c(c1)ccc(c2)C(C(=O)OCCS(=O)(=O)C)C,"InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1",-7.0652,-7.0108,-4.4161,-2.9854,-2.002,-1.6886,1.2389,1.2766,1.5387,1.6198,2.2317,D10017_M02AA12,20040304002000000200020200020000002000002000000080000080000400001000500000008001080a0008200001000000020000000004000000020000020c08000800110004c10000048002800001009000400030000840480800000000004000000000000002000000004010000000021100090100200800000400000000,04000000703105,050002000000000000009000000000000000000000000000800000000000000000004200402805,000000000000441a0401a01130992d6c8a5a9fd71e,0,11,30,3,0,7,43,44,-8.66,-1.6340000000000001,1,2.0,0.258958638,-,0.6829,-,0.6829,https://www.genome.jp/dbget-bin/www_bget?dr:D10017
2773,D07219, Flunoxaprofen (INN), Antiinflammatory products for vaginal administration,G02CC04,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccc2c(c1)nc(o2)c1ccc(cc1)F)[C@@H](C(=O)O)C,285.27,3.822,75.7548,63.33,14,1,4,ARPYQKTVRGFPIS-VIFPVBQESA-N,C16H12FNO3,OC(=O)C(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)C,"InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1",-4.5617,-4.4073,-2.615,-1.3453,-1.3327,-1.2486,0.6553,0.9017,1.0061,1.2689,2.3775,D07219_G02CC04,20060000402814400284020104200000010000185401000400000080102000001000580400408023200a000a00002440000050408002200000280042004000080c000c0260000ec0009060010084014100b000402400000850080a10204108000002880000040000104000006002040300020152000118000008000002004000,0400000c00b003,05000000000000000000880000000000000000000008b000000000000000000000004600403804,0000000000020021010044c810259005200583da1f,1,16,18,1,0,3,33,35,-4.5969999999999995,1.212,1,1.0,0.000425692,+,18.5833,-,18.5833,https://www.genome.jp/dbget-bin/www_bget?dr:D07219
2774,D07219, Flunoxaprofen (INN), Propionic acid derivatives,M01AE15,MUSCULO-SKELETAL SYSTEM,c1(ccc2c(c1)nc(o2)c1ccc(cc1)F)[C@@H](C(=O)O)C,285.27,3.822,75.7548,63.33,14,1,4,ARPYQKTVRGFPIS-VIFPVBQESA-N,C16H12FNO3,OC(=O)C(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)C,"InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1",-4.5525,-4.4305,-2.6162,-1.3486,-1.334,-1.2494,0.6564,0.9197,1.0052,1.2661,2.3809,D07219_M01AE15,20060000402814400284020104200000010000185401000400000080102000001000580400408023200a000a00002440000050408002200000280042004000080c000c0260000ec0009060010084014100b000402400000850080a10204108000002880000040000104000006002040300020152000118000008000002004000,0400000c00b003,05000000000000000000880000000000000000000008b000000000000000000000004600403804,0000000000020021010044c810259005200583da1f,1,16,18,1,0,3,33,35,-4.5969999999999995,1.212,1,1.0,0.000425692,+,18.5833,-,18.5833,https://www.genome.jp/dbget-bin/www_bget?dr:D07219
2775,D03008, Atosiban (USAN/INN), Other gynecologicals,G02CX01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]1(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](NC(=O)CCSSC1)Cc1ccc(cc1)OCC)[C@@H](C)O)CC(=O)N)C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C(=O)NCC(=O)N)CCC[NH3+],995.197,0.0029,275.639,417.89,92,11,24,VWXRQYYUEIYXCZ-XJVHBRCDSA-O,C43H68N11O12S2+,[NH3+]CCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(cc2)OCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)C(O)C)C(CC)C,"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/p+1/t23-,24+,27-,28+,29-,30-,31-,35-,36+/m0/s1",-5.3802,-5.3758,-5.3731,-4.8538,-4.7878,-4.356,2.6334,2.6449,2.8476,2.8793,2.9203,D03008_G02CX01,0026c103004000203b8006000202000c00000010000412000000808001180000180050878306000320062c384001004001234e0018008000010000020000001008000c0001001881012004001680801e00b0034000003008c0090f02800820000c00002000000402100100008010000000071144080110601876008100000304,0500002c50f201,0728c20044000000000080003e0000400000000000000000000000800000000000000600c02a04,002000000800310004c49ecf8970b7eb8d7ffeff1f,0,6,122,10,0,21,136,138,-11.182,-4.756,9,,0.045865972000000005,-,16.447,-,16.447,https://www.genome.jp/dbget-bin/www_bget?dr:D03008
2776,D02577, Flibanserin (USAN/INN), Other gynecologicals,G02CX02,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc(cc1)C(F)(F)F)N1CC[NH+](CC1)CCn1c2c([nH]c1=O)cccc2,391.41,3.3877,110.37299999999999,45.47,24,2,3,PPRRDFIXUUSXRA-UHFFFAOYSA-O,C20H22F3N4O+,O=c1[nH]c2c(n1CC[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2,"InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)/p+1",-5.9828,-4.6753,-4.5702,-4.5317,-4.5213,-4.1921,1.7345,1.9053,1.9346,2.0932,3.0711,D02577_G02CX02,800a00000000184010004600008040088000009000000000000000c00000040c020060022300802130000038000010c01000000000006008000000020000040004000c00c00830000020400102900000048001400c90200df00a00000101200400000000000400000040000040001c0000060144200110400004000002400000,0100000000f021,000140020500000000000000000000000040040000008d00000000000000000000004640e02a00,0000000010020120015436869ae7b1c375e36d2f1f,3,16,36,1,0,5,50,53,-11.805,-4.123,0,1.0,0.055922687,-,1.4544,-,1.4544,https://www.genome.jp/dbget-bin/www_bget?dr:D02577
2777,D00182, Norethindrone (USP), Progestogens,G03AC01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCC1=CC(=O)CC[C@H]21)C,298.41900000000004,3.4925,88.6258,37.3,28,1,2,VIKNJXKGJWUCNN-XGXHKTLJSA-N,C20H26O2,C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-3.3280000000000003,-3.3177,-0.9023,-0.8206,-0.6557,-0.5453,0.4853,0.508,0.6011,0.66,0.8293,D00182_G03AC01,0000000000080224000200010000000000000080004040000000000000002000100000000080000180020000080000000100000000204102200000000000000008000900000400000000800008800204001000408000000000801000000000010204000080000000000000000020480000000000000000000000000100000100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040405805,00000102000002000208008694892cc00944a5d21c,0,0,48,2,1,0,48,51,-9.988,0.032,6,,0.612821043,-,1.4422,-,1.4422,https://www.genome.jp/dbget-bin/www_bget?dr:D00182
2778,D00182, Norethindrone (USP), Estren derivatives,G03DC02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCC1=CC(=O)CC[C@H]21)C,298.41900000000004,3.4925,88.6258,37.3,28,1,2,VIKNJXKGJWUCNN-XGXHKTLJSA-N,C20H26O2,C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-3.3280000000000003,-3.3177,-0.9023,-0.8206,-0.6557,-0.5453,0.4853,0.508,0.6011,0.66,0.8293,D00182_G03DC02,0000000000080224000200010000000000000080004040000000000000002000100000000080000180020000080000000100000000204102200000000000000008000900000400000000800008800204001000408000000000801000000000010204000080000000000000000020480000000000000000000000000100000100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040405805,00000102000002000208008694892cc00944a5d21c,0,0,48,2,1,0,48,51,-9.988,0.032,6,,0.612821043,-,1.4422,-,1.4422,https://www.genome.jp/dbget-bin/www_bget?dr:D00182
2779,D00953, Norethindrone acetate (USP), Progestogens,G03AC01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]12([C@](CC[C@H]1[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)(OC(=O)C)C#C)C,340.45599999999996,4.0633,98.363,43.37,31,0,3,IMONTRJLAWHYGT-ZCPXKWAGSA-N,C22H28O3,C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)OC(=O)C,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",-4.43,-3.3033,-3.0059,-2.0477,-1.361,-0.9325,0.489,0.5161,0.5413,0.6397,1.5323,D00953_G03AC01,00000000000802240202000100020000080000800040400000010000000420001000000000800001800a0000280000000100000000204102200000000000820008100900000400000000800008800204009000408000000000801000000000010204000080000000000000000020480000030100000140000000000100000100,14000000302005,3f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000102000002000208008014892ce48940b7d21c,0,0,52,3,1,2,53,56,-10.033,-0.052000000000000005,6,0.0,0.764024258,-,1.6823,-,1.6823,https://www.genome.jp/dbget-bin/www_bget?dr:D00953
2780,D00953, Norethindrone acetate (USP), Estren derivatives,G03DC02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]12([C@](CC[C@H]1[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)(OC(=O)C)C#C)C,340.45599999999996,4.0633,98.363,43.37,31,0,3,IMONTRJLAWHYGT-ZCPXKWAGSA-N,C22H28O3,C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)OC(=O)C,"InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",-4.4259,-3.3028,-3.0077,-2.0405,-1.3738,-0.937,0.5034,0.5124,0.5663,0.6382,1.53,D00953_G03DC02,00000000000802240202000100020000080000800040400000010000000420001000000000800001800a0000280000000100000000204102200000000000820008100900000400000000800008800204009000408000000000801000000000010204000080000000000000000020480000030100000140000000000100000100,14000000302005,3f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000102000002000208008014892ce48940b7d21c,0,0,52,3,1,2,53,56,-10.033,-0.052000000000000005,6,0.0,0.764024258,-,1.6823,-,1.6823,https://www.genome.jp/dbget-bin/www_bget?dr:D00953
2781,D08285, Norethisterone enantate, Progestogens,G03AC01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]12([C@](CC[C@H]1[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)(OC(=O)CCCCCC)C#C)C,410.589,6.0138,122.398,43.37,41,0,3,APTGJECXMIKIET-WOSSHHRXSA-N,C27H38O3,CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1",-4.4293,-3.3028,-3.0039,-2.0285,-1.3748,-0.9452,0.511,0.5142,0.5734,0.6379,1.5309,D08285_G03AC01,02000000000802240202000100020000080000800040400000010000000420001000000000800001800a0000280000000100000000204102200000000000820008100900000400000000800008800204009000408000000000801000000000010204000080000000000000000020480000030100000140000000000140000100,14000000302005,3f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000102000002000208008014892ee48940b7d61c,0,0,67,3,1,7,68,71,-10.057,-0.040999999999999995,6,0.0,0.9723955390000001,-,2.2155,-,2.2155,https://www.genome.jp/dbget-bin/www_bget?dr:D08285
2782,D08285, Norethisterone enantate, Estren derivatives,G03DC02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]12([C@](CC[C@H]1[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)CC1)(OC(=O)CCCCCC)C#C)C,410.589,6.0138,122.398,43.37,41,0,3,APTGJECXMIKIET-WOSSHHRXSA-N,C27H38O3,CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1",-4.425,-3.3032,-3.0057,-2.041,-1.3784,-0.9345,0.5098,0.5123,0.5693,0.6363,1.5299,D08285_G03DC02,02000000000802240202000100020000080000800040400000010000000420001000000000800001800a0000280000000100000000204102200000000000820008100900000400000000800008800204009000408000000000801000000000010204000080000000000000000020480000030100000140000000000140000100,14000000302005,3f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000102000002000208008014892ee48940b7d61c,0,0,67,3,1,7,68,71,-10.057,-0.040999999999999995,6,0.0,0.9723955390000001,-,2.2155,-,2.2155,https://www.genome.jp/dbget-bin/www_bget?dr:D08285
2783,D01580, Lynestrenol (JAN/USAN), Progestogens,G03AC02,GENITO URINARY SYSTEM AND SEX HORMONES,C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@](CC2)(C#C)O)C,284.436,4.3135,88.4258,20.23,29,1,1,YNVGQYHLRCDXFQ-XGXHKTLJSA-N,C20H28O,C#CC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12,"InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-3.3198,-0.9261,-0.5716,-0.4785,-0.4634,-0.4169,0.4194,0.4305,0.5233,0.8484,0.8582,D01580_G03AC02,0000000000080224000200010000000000000080004040000000000000002000100000000080000100000000080000000100000000204002200000000000000008000900000400000000800000000200000000408000000000001000000000000204000000000000000000000020480000000000000000000000000100000000,0000004c00a001,3f4800000000000000000000000000000000000000000000000000000000000000004000400004,00000102000002000208008694892cc00944a5901c,0,0,50,1,1,0,49,52,-9.297,1.3430000000000002,6,1.0,0.739303887,-,1.4418,-,1.4418,https://www.genome.jp/dbget-bin/www_bget?dr:D01580
2784,D01580, Lynestrenol (JAN/USAN), Estren derivatives,G03DC03,GENITO URINARY SYSTEM AND SEX HORMONES,C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@](CC2)(C#C)O)C,284.436,4.3135,88.4258,20.23,29,1,1,YNVGQYHLRCDXFQ-XGXHKTLJSA-N,C20H28O,C#CC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12,"InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",-3.3199,-0.9258,-0.5716,-0.4779,-0.4632,-0.41700000000000004,0.4186,0.4305,0.5223,0.8476,0.8583,D01580_G03DC03,0000000000080224000200010000000000000080004040000000000000002000100000000080000100000000080000000100000000204002200000000000000008000900000400000000800000000200000000408000000000001000000000000204000000000000000000000020480000000000000000000000000100000000,0000004c00a001,3f4800000000000000000000000000000000000000000000000000000000000000004000400004,00000102000002000208008694892cc00944a5901c,0,0,50,1,1,0,49,52,-9.297,1.3430000000000002,6,1.0,0.739303887,-,1.4418,-,1.4418,https://www.genome.jp/dbget-bin/www_bget?dr:D01580
2785,D00950, Levonorgestrel (JAN/USP/INN), Progestogens,G03AC03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C#C)CC,312.44599999999997,3.8826,93.4328,37.3,30,1,2,WWYNJERNGUHSAO-XUDSTZEESA-N,C21H28O2,C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",-3.3024,-3.2807,-0.941,-0.8008,-0.7404,-0.6517,0.489,0.5141,0.6389,0.7440000000000001,0.8373,D00950_G03AC03,0000000000080224000200010000000000000080004040000000000000002000100000000080000180020000080000000100000000204102200000000000000008000900000400000000800008800204001000408000000000801000000000010204000080000000000000000020480000000000000000000000000100000100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000102000002000208008694892ac00944a5d61c,0,0,51,2,1,1,51,54,-10.017999999999999,-0.065,6,,0.7131745820000001,-,1.4225,-,1.4225,https://www.genome.jp/dbget-bin/www_bget?dr:D00950
2786,D00950, Levonorgestrel (JAN/USP/INN), Emergency contraceptives,G03AD01,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C#C)CC,312.44599999999997,3.8826,93.4328,37.3,30,1,2,WWYNJERNGUHSAO-XUDSTZEESA-N,C21H28O2,C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",-3.3024,-3.2806,-0.941,-0.8008,-0.7405,-0.6517,0.489,0.5141,0.6389,0.7442,0.8373,D00950_G03AD01,0000000000080224000200010000000000000080004040000000000000002000100000000080000180020000080000000100000000204102200000000000000008000900000400000000800008800204001000408000000000801000000000010204000080000000000000000020480000000000000000000000000100000100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000102000002000208008694892ac00944a5d61c,0,0,51,2,1,1,51,54,-10.017999999999999,-0.065,6,,0.7131745820000001,-,1.4225,-,1.4225,https://www.genome.jp/dbget-bin/www_bget?dr:D00950
2787,D05679, Quingestanol acetate (USAN), Progestogens,G03AC04,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=CC2=CC[C@@H]3[C@@H]([C@H]2C1)CC[C@]1([C@H]3CC[C@]1(C#C)OC(=O)C)C)OC1CCCC1,408.57300000000004,5.9472,120.695,35.53,39,0,3,FLGJKPPXEKYCBY-AKCFYGDASA-N,C27H36O3,C#CC1(CCC2C1(C)CCC1C2CC=C2C1CCC(=C2)OC1CCCC1)OC(=O)C,"InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1",-4.4222,-3.0039,-2.044,-1.3892,-1.0042,-0.9351,0.4247,0.4285,0.5186,0.5547,1.536,D05679_G03AC04,00000000000802240202000140420000080000800042400000010080000420001200000000800001000a000028000000010000008060400220000000040082000c100901000400020000800000800280008000408000000848001000080000000204000000000000010000000120484001030100000140000000040140000000,04000000302005,3f0000000000000000029000000000000000000000000000000000000000000000004040402805,00000102000002000208008014892ce40940b7d21c,0,0,66,3,1,4,66,70,-8.105,0.42100000000000004,6,0.0,,-,2.3344,-,2.3344,https://www.genome.jp/dbget-bin/www_bget?dr:D05679
2788,D08167, Megestrol (INN), Progestogens,G03AC05,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@]([C@](CC3)(C(=O)C)O)(CC[C@@H]1[C@@]1(C(=CC(=O)CC1)C(=C2)C)C)C,342.472,4.0045,99.5438,54.37,33,1,3,VXIMPSPISRVBPZ-NWUMPJBXSA-N,C22H30O3,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",-3.3029,-2.9804,-2.3282,-1.8178,-1.149,-0.9893,0.5216,0.5267,0.9888,1.0,1.4234,D08167_G03AC05,000000000000022400000001000000000000008000424000000000000000200012000000008000018002000000000000010000008020490220000000000000000c000800000400000000802008800204005000400000000008801000000000010204000080000000010000000000084000000000000000000000040100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040406805,00000002000002008208008694892cc08954b7d21c,0,0,54,4,0,1,55,58,-9.195,-0.677,6,1.0,0.396902829,-,2.178,-,2.178,https://www.genome.jp/dbget-bin/www_bget?dr:D08167
2789,D08167, Megestrol (INN), Pregnadien derivatives,G03DB02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@]([C@](CC3)(C(=O)C)O)(CC[C@@H]1[C@@]1(C(=CC(=O)CC1)C(=C2)C)C)C,342.472,4.0045,99.5438,54.37,33,1,3,VXIMPSPISRVBPZ-NWUMPJBXSA-N,C22H30O3,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",-3.3029,-2.9804,-2.3282,-1.8178,-1.149,-0.9893,0.5216,0.5267,0.9888,1.0,1.4234,D08167_G03DB02,000000000000022400000001000000000000008000424000000000000000200012000000008000018002000000000000010000008020490220000000000000000c000800000400000000802008800204005000400000000008801000000000010204000080000000010000000000084000000000000000000000040100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040406805,00000002000002008208008694892cc08954b7d21c,0,0,54,4,0,1,55,58,-9.195,-0.677,6,1.0,0.396902829,-,2.178,-,2.178,https://www.genome.jp/dbget-bin/www_bget?dr:D08167
2790,D08167, Megestrol (INN), Progestogens,L02AB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]12[C@H]3[C@@]([C@](CC3)(C(=O)C)O)(CC[C@@H]1[C@@]1(C(=CC(=O)CC1)C(=C2)C)C)C,342.472,4.0045,99.5438,54.37,33,1,3,VXIMPSPISRVBPZ-NWUMPJBXSA-N,C22H30O3,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",-3.3029,-2.9804,-2.3282,-1.8178,-1.149,-0.9893,0.5216,0.5267,0.9888,1.0,1.4234,D08167_L02AB01,000000000000022400000001000000000000008000424000000000000000200012000000008000018002000000000000010000008020490220000000000000000c000800000400000000802008800204005000400000000008801000000000010204000080000000010000000000084000000000000000000000040100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040406805,00000002000002008208008694892cc08954b7d21c,0,0,54,4,0,1,55,58,-9.195,-0.677,6,1.0,0.396902829,-,2.178,-,2.178,https://www.genome.jp/dbget-bin/www_bget?dr:D08167
2791,D00952, Megestrol acetate (USAN), Progestogens,G03AC05,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)C)C)C)(OC(=O)C)C(=O)C,384.50800000000004,4.5753,109.281,60.44,36,0,4,RQZAXGRLVPAYTJ-GQFGMJRRSA-N,C24H32O4,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",-4.4592,-3.3022,-3.0036,-2.9861,-1.4476,-1.435,1.0038,1.3193,1.3955,1.4039,1.4186,D00952_G03AC05,00000002000002240200000100020000000000800042400000000000000420001600000000800001800a000020000000010000008020490220000080000082000c10080000040000000080200880020400d000400000000008801000000000010204000080000000010000000000084000030100000100000000040100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040406805,00000002000002008208008014892ce48958b7d21c,0,0,58,5,0,3,60,63,-9.203,-0.6809999999999999,6,0.0,0.5352796320000001,+,2.7657,-,2.7657,https://www.genome.jp/dbget-bin/www_bget?dr:D00952
2792,D00952, Megestrol acetate (USAN), Pregnadien derivatives,G03DB02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)C)C)C)(OC(=O)C)C(=O)C,384.50800000000004,4.5753,109.281,60.44,36,0,4,RQZAXGRLVPAYTJ-GQFGMJRRSA-N,C24H32O4,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",-4.4634,-3.3015,-3.0263,-2.9813,-1.4643,-1.3432,0.9705,1.2972,1.3334,1.3781,1.3992,D00952_G03DB02,00000002000002240200000100020000000000800042400000000000000420001600000000800001800a000020000000010000008020490220000080000082000c10080000040000000080200880020400d000400000000008801000000000010204000080000000010000000000084000030100000100000000040100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040406805,00000002000002008208008014892ce48958b7d21c,0,0,58,5,0,3,60,63,-9.203,-0.6809999999999999,6,0.0,0.5352796320000001,+,2.7657,-,2.7657,https://www.genome.jp/dbget-bin/www_bget?dr:D00952
2793,D00952, Megestrol acetate (USAN), Progestogens,L02AB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)C)C)C)(OC(=O)C)C(=O)C,384.50800000000004,4.5753,109.281,60.44,36,0,4,RQZAXGRLVPAYTJ-GQFGMJRRSA-N,C24H32O4,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",-4.4533,-3.3015,-2.9969,-2.9718,-1.4433,-1.2371,0.987,1.0189,1.2915,1.3381,1.3969999999999998,D00952_L02AB01,00000002000002240200000100020000000000800042400000000000000420001600000000800001800a000020000000010000008020490220000080000082000c10080000040000000080200880020400d000400000000008801000000000010204000080000000010000000000084000030100000100000000040100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040406805,00000002000002008208008014892ce48958b7d21c,0,0,58,5,0,3,60,63,-9.203,-0.6809999999999999,6,0.0,0.5352796320000001,+,2.7657,-,2.7657,https://www.genome.jp/dbget-bin/www_bget?dr:D00952
2794,D08166, Medroxyprogesterone (INN), Progestogens,G03AC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(O)C(=O)C,344.48800000000006,4.0844,100.01799999999999,54.37,35,1,3,FRQMUZJSZHZSGN-HBNHAYAOSA-N,C22H32O3,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",-3.3041,-2.9808,-2.338,-1.8055,-1.1405,-0.8429,0.6341,0.7365,0.9635,0.9929,1.4126,D08166_G03AC06,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208008694892cc08954b7d21c,0,0,57,3,0,1,57,60,-10.081,-0.017,7,1.0,0.445493698,-,2.0567,-,2.0567,https://www.genome.jp/dbget-bin/www_bget?dr:D08166
2795,D08166, Medroxyprogesterone (INN), Pregnen (4) derivatives,G03DA02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(O)C(=O)C,344.48800000000006,4.0844,100.01799999999999,54.37,35,1,3,FRQMUZJSZHZSGN-HBNHAYAOSA-N,C22H32O3,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",-3.3066,-2.9807,-2.3155,-1.8593,-1.1428,-0.9852,0.637,0.6929,0.9952,1.0088,1.4185,D08166_G03DA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208008694892cc08954b7d21c,0,0,57,3,0,1,57,60,-10.081,-0.017,7,1.0,0.445493698,-,2.0567,-,2.0567,https://www.genome.jp/dbget-bin/www_bget?dr:D08166
2796,D08166, Medroxyprogesterone (INN), Progestogens,L02AB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(O)C(=O)C,344.48800000000006,4.0844,100.01799999999999,54.37,35,1,3,FRQMUZJSZHZSGN-HBNHAYAOSA-N,C22H32O3,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1",-3.3066,-2.9807,-2.3157,-1.8587,-1.1428,-0.9843,0.637,0.6959,0.9954,1.0086,1.4184,D08166_L02AB02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208008694892cc08954b7d21c,0,0,57,3,0,1,57,60,-10.081,-0.017,7,1.0,0.445493698,-,2.0567,-,2.0567,https://www.genome.jp/dbget-bin/www_bget?dr:D08166
2797,D00951, Medroxyprogesterone acetate (JP17/USP), Progestogens,G03AC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(OC(=O)C)C(=O)C,386.524,4.6552,109.755,60.44,38,0,4,PSGAAPLEWMOORI-PEINSRQWSA-N,C24H34O4,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",-4.4194,-3.305,-3.0251,-2.9698,-1.454,-1.2357,0.9824,1.0309,1.2926,1.329,1.3952,D00951_G03AC06,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080000040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ce48958b7d21c,0,0,61,4,0,3,62,65,-10.21,-0.068,7,0.0,0.624405324,-,2.5924,-,2.5924,https://www.genome.jp/dbget-bin/www_bget?dr:D00951
2798,D00951, Medroxyprogesterone acetate (JP17/USP), Pregnen (4) derivatives,G03DA02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(OC(=O)C)C(=O)C,386.524,4.6552,109.755,60.44,38,0,4,PSGAAPLEWMOORI-PEINSRQWSA-N,C24H34O4,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",-4.4463,-3.3049,-3.0039,-2.9712,-1.4527,-1.251,0.9583,1.0931,1.3145,1.3707,1.3878,D00951_G03DA02,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080000040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ce48958b7d21c,0,0,61,4,0,3,62,65,-10.21,-0.068,7,0.0,0.624405324,-,2.5924,-,2.5924,https://www.genome.jp/dbget-bin/www_bget?dr:D00951
2799,D00951, Medroxyprogesterone acetate (JP17/USP), Progestogens,L02AB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)[C@H](C1)C)C)C)(OC(=O)C)C(=O)C,386.524,4.6552,109.755,60.44,38,0,4,PSGAAPLEWMOORI-PEINSRQWSA-N,C24H34O4,O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",-4.4423,-3.3047,-3.0165,-2.9682,-1.4555,-1.2376,0.9831,1.0454,1.3026,1.3304,1.3867,D00951_L02AB02,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080000040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ce48958b7d21c,0,0,61,4,0,3,62,65,-10.21,-0.068,7,0.0,0.624405324,-,2.5924,-,2.5924,https://www.genome.jp/dbget-bin/www_bget?dr:D00951
2800,D07220, Norgestrienone (INN), Progestogens,G03AC07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@@H](CC[C@@]1(O)C#C)[C@H]1C(=C3C(=CC(=O)CC3)CC1)C=C2)C,294.387,3.3327,87.6778,37.3,24,1,2,GVDMJXQHPUYPHP-FYQPLNBISA-N,C20H22O2,C#CC1(O)CCC2C1(C)C=CC1=C3CCC(=O)C=C3CCC21,"InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1",-3.3142,-3.2685,-0.9387,-0.7052,-0.6542,-0.5710000000000001,0.5416,0.5424,0.59,0.7384,0.8442,D07220_G03AC07,000000040008822400020081000000000000008000424000000000000000200012000000008000018002000008000000010000028020490020000000000000000c000900040400000000802008800204001000408002000008801000000000010204080080000000010000000020485000000000000800000000040100040100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040435805,000001020000020002080086948928c00944a5d21c,0,0,42,4,1,0,44,47,-8.516,-1.013,4,-1.0,0.47864058600000003,-,1.5945,-,1.5945,https://www.genome.jp/dbget-bin/www_bget?dr:D07220
2801,D04104, Etonogestrel (USAN/INN), Progestogens,G03AC08,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@]([C@@](CC3)(C#C)O)(CC(=C)[C@@H]1[C@@H]1C(=CC(=O)CC1)CC2)CC,324.457,4.0487,97.7658,37.3,30,1,2,GCKFUYQCUCGESZ-BPIQYHPVSA-N,C22H28O2,C#CC1(O)CCC2C1(CC)CC(=C)C1C2CCC2=CC(=O)CCC12,"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",-3.3269,-3.3097,-0.9573,-0.8014,-0.6527,-0.5976,0.5406,0.5677,0.6384,0.8501,0.8873,D04104_G03AC08,0000000000080224000200010000000000000080004060000000000000002000100000000080000180020000080000000100000000204102200000000000000008000900000400000000800008800204001040408000000000801000000000010204000080000000000000000020490000000000000000000000008100000100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000102020002000208008694892ac00944a5d61c,0,0,51,3,1,1,52,55,-9.908,-0.065,6,,0.775643468,-,1.5137,-,1.5137,https://www.genome.jp/dbget-bin/www_bget?dr:D04104
2802,D02367, Desogestrel (USAN/INN), Progestogens,G03AC09,GENITO URINARY SYSTEM AND SEX HORMONES,C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1=C)([C@](CC2)(O)C#C)CC,310.473,4.8697,97.5658,20.23,31,1,1,RPLCPCMSCLEKRS-BPIQYHPVSA-N,C22H30O,CCC12CC(=C)C3C(C1CCC2(O)C#C)CCC1=CCCCC31,"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",-3.2802,-0.9415,-0.5969,-0.5968,-0.5723,-0.4861,0.5556,0.6367,0.8401,0.852,0.8878,D02367_G03AC09,0000000000080224000200010000000000000080004060000000000000002000100000000080000100000000080000000100000000204002200000000000000008000900000400000000800000000200000040408000000000001000000000000204000000000000000000000020490000000000000000000000008100000000,0000004c00a001,3f4800000000000000000000000000000000000000000000000000000000000000004000402004,00000102020002000208008694892ac00944a5941c,0,0,53,2,1,1,53,56,-9.344,1.093,6,,,-,1.429,-,1.429,https://www.genome.jp/dbget-bin/www_bget?dr:D02367
2803,D03917, Drospirenone (JAN/USP/INN), Progestogens,G03AC10,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@@]3([C@@H]([C@H]4[C@@H]1C4)[C@H]1[C@H](CC3)[C@@]3(C(=CC(=O)CC3)[C@H]3[C@@H]1C3)C)C)OC(=O)CC2,366.49300000000005,4.3059,103.213,43.37,33,0,3,METQSPRSQINEEU-LLBXZQHGSA-N,C24H30O3,O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15?,16+,18+,20-,21+,22-,23+,24+/m1/s1",-4.3812,-3.3167,-2.9882,-1.6071,-0.8912,-0.7994,0.4901,0.4947,0.6449,0.687,1.534,D03917_G03AC10,00000000000002240200000100020000001000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000408000000800108800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000500,14000000302005,1f000000000001000000a000000000000001000000000000000000000000000000006440405805,00002402000002010208048014892cc4894197d21c,0,0,60,3,0,3,57,63,-9.59,-0.153,10,,0.554906189,+,8.7154,-,8.7154,https://www.genome.jp/dbget-bin/www_bget?dr:D03917
2804,D09567, Ulipristal (USAN/INN), Emergency contraceptives,G03AD02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C2=C3C(=CC(=O)CC3)CC[C@H]2[C@H]2[C@@](C1)([C@](CC2)(C(=O)C)O)C)c1ccc(cc1)N(C)C,433.582,4.9722,128.884,57.61,39,1,4,HKDLNTKNLJPAIY-FRINSPPISA-N,C28H35NO3,O=C1CCC2=C3C(CC4(C(C3CCC2=C1)CCC4(O)C(=O)C)C)c1ccc(cc1)N(C)C,"InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27+,28-/m0/s1",-3.3285,-3.0404,-3.0369,-2.9813,-2.3255,-1.8007,0.8714,0.9844,0.9977,1.0181,1.4163,D09567_G03AD02,000400000000022402000681028000008000008000424000000000800000200012004000008000218002000800010040010800028020690a20001002000004000c000800420400000080a0200880020400d000400400300848889800000800010204000081000000010080000000084000020140020100000008040102000100,1400004c00b021,1f4840000100010000000000000000000001000000000000000000000000000000004240407805,0000000200000220820a309694892cc2d954bffa1f,0,6,61,4,0,3,67,71,-8.584,-0.5920000000000001,5,1.0,0.82052964,-,2.9625,-,2.9625,https://www.genome.jp/dbget-bin/www_bget?dr:D09567
2805,D09567, Ulipristal (USAN/INN), Progesterone receptor modulators,G03XB02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C2=C3C(=CC(=O)CC3)CC[C@H]2[C@H]2[C@@](C1)([C@](CC2)(C(=O)C)O)C)c1ccc(cc1)N(C)C,433.582,4.9722,128.884,57.61,39,1,4,HKDLNTKNLJPAIY-FRINSPPISA-N,C28H35NO3,O=C1CCC2=C3C(CC4(C(C3CCC2=C1)CCC4(O)C(=O)C)C)c1ccc(cc1)N(C)C,"InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27+,28-/m0/s1",-3.3172,-3.0435,-3.0408,-2.9789999999999996,-2.3468,-1.7952,0.8928,0.9416,0.9979,1.0005,1.4064,D09567_G03XB02,000400000000022402000681028000008000008000424000000000800000200012004000008000218002000800010040010800028020690a20001002000004000c000800420400000080a0200880020400d000400400300848889800000800010204000081000000010080000000084000020140020100000008040102000100,1400004c00b021,1f4840000100010000000000000000000001000000000000000000000000000000004240407805,0000000200000220820a309694892cc2d954bffa1f,0,6,61,4,0,3,67,71,-8.584,-0.5920000000000001,5,1.0,0.82052964,-,2.9625,-,2.9625,https://www.genome.jp/dbget-bin/www_bget?dr:D09567
2806,D09687, Ulipristal acetate (JAN/USAN), Emergency contraceptives,G03AD02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C2=C3C(=CC(=O)CC3)CC[C@H]2[C@H]2[C@@](C1)([C@](CC2)(C(=O)C)OC(=O)C)C)c1ccc(cc1)N(C)C,475.619,5.542999999999999,138.621,63.68,42,0,5,OOLLAFOLCSJHRE-RPZAWWRESA-N,C30H37NO4,CC(=O)OC1(CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21)C(=O)C,"InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29+,30-/m0/s1",-4.4472,-3.3038,-3.0466,-3.0411,-3.0119,-2.9801,0.9344,1.1532,1.2492,1.2863,1.4277,D09687_G03AD02,00040002000002240200068102820000800000800042400000000080000420001600400000800021800a000820010040010800028020690a20001082000086000c100800420400000080a0200880020400d000400400300848889800000800010204000081000000010080000000084000030140020100000008040102000100,14000000303025,1f0040000100010000009000000000000001000000000000000000000000000000004240407805,0000000200000220820a309014892ce6d958bffa1f,0,6,65,5,0,5,72,76,-8.693,-0.698,5,1.0,0.882472575,+,3.6783,-,3.6783,https://www.genome.jp/dbget-bin/www_bget?dr:D09687
2807,D09687, Ulipristal acetate (JAN/USAN), Progesterone receptor modulators,G03XB02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]1(C2=C3C(=CC(=O)CC3)CC[C@H]2[C@H]2[C@@](C1)([C@](CC2)(C(=O)C)OC(=O)C)C)c1ccc(cc1)N(C)C,475.619,5.542999999999999,138.621,63.68,42,0,5,OOLLAFOLCSJHRE-RPZAWWRESA-N,C30H37NO4,CC(=O)OC1(CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21)C(=O)C,"InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29+,30-/m0/s1",-4.3281,-3.3027,-3.0373,-3.0343,-3.0306,-2.975,1.0454,1.3093,1.4159,1.4731,1.5279,D09687_G03XB02,00040002000002240200068102820000800000800042400000000080000420001600400000800021800a000820010040010800028020690a20001082000086000c100800420400000080a0200880020400d000400400300848889800000800010204000081000000010080000000084000030140020100000008040102000100,14000000303025,1f0040000100010000009000000000000001000000000000000000000000000000004240407805,0000000200000220820a309014892ce6d958bffa1f,0,6,65,5,0,5,72,76,-8.693,-0.698,5,1.0,0.882472575,+,3.6783,-,3.6783,https://www.genome.jp/dbget-bin/www_bget?dr:D09687
2808,D00327, Fluoxymesterone (JP17/USP/INN), 3-oxoandrosten (4) derivatives,G03BA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@H]([C@H]3[C@](C[C@@H]2O)([C@@](CC3)(C)O)C)CCC2=CC(=O)CC[C@]12C)F,336.441,3.3322,91.4546,57.53,32,2,3,YLRFCQOZQXIBAB-RBZZARIASA-N,C20H29FO3,O=C1CCC2(C(=C1)CCC1C2(F)C(O)CC2(C1CCC2(C)O)C)C,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",-3.3295,-1.9278,-1.8994,-1.3234,-1.1944,-0.8712,0.8096,0.8248,0.8772,0.9686,1.0842,D00327_G03BA01,0002000000000224000000030000000000000090204040000200000000002000100052000080000180020000000000000120000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000014280000100000000010000000408100000100,1400006c00a001,1f6900000000010000000000000000000001000000000000000000000000000000004040405805,000000020002020002084086948d2cc02d54b7d21c,1,0,54,2,0,0,53,56,-10.16,-0.099,7,1.0,0.386482984,-,2.1168,-,2.1168,https://www.genome.jp/dbget-bin/www_bget?dr:D00327
2809,D00408, Methyltestosterone (JP17/USP/INN), 3-oxoandrosten (4) derivatives,G03BA02,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C)C)C,302.45099999999996,4.2693,90.2038,37.3,32,1,2,GCKMFJBGXUYNAG-HLXURNFRSA-N,C20H30O2,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",-3.3859,-1.9345,-0.8019,-0.6438,-0.5508,-0.4658,0.3987,0.4742,0.4869,0.5587,0.653,D00408_G03BA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00954b5d21c,0,0,53,2,0,0,52,55,-10.135,-0.025,6,,0.501471519,-,1.8421,-,1.8421,https://www.genome.jp/dbget-bin/www_bget?dr:D00408
2810,D00408, Methyltestosterone (JP17/USP/INN), Androgens and female sex hormones in combination with other drugs,G03EK01,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C)C)C,302.45099999999996,4.2693,90.2038,37.3,32,1,2,GCKMFJBGXUYNAG-HLXURNFRSA-N,C20H30O2,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",-3.3869,-1.9347,-0.802,-0.6435,-0.5508,-0.4658,0.3987,0.4742,0.48700000000000004,0.5588,0.6531,D00408_G03EK01,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00954b5d21c,0,0,53,2,0,0,52,55,-10.135,-0.025,6,,0.501471519,-,1.8421,-,1.8421,https://www.genome.jp/dbget-bin/www_bget?dr:D00408
2811,D00075, Testosterone (JAN/USP), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)[C@H](CC2)O)C,288.42400000000004,3.8792,85.3588,37.3,30,1,2,MUMGGOZAMZWBJJ-DYKIIFRCSA-N,C19H28O2,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",-3.2741,-1.9105,-0.8024,-0.6432,-0.5139,-0.457,0.3977,0.4683,0.4846,0.527,0.6448,D00075_G03BA03,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00944b5d21c,0,0,50,2,0,0,49,52,-10.106,-0.001,6,,0.424975604,-,1.5628,-,1.5628,https://www.genome.jp/dbget-bin/www_bget?dr:D00075
2812,D00957, Testosterone cypionate (USP), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2OC(=O)CCC1CCCC1)C,412.605,6.4005,121.824,43.37,43,0,3,HPFVBGJFAYZEBE-ZLQWOROUSA-N,C27H40O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)CCC1CCCC1,"InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1",-4.438,-3.3052,-2.9916,-1.2106,-0.8415,-0.8004,0.514,0.5426,0.6381,0.6917,1.12,D00957_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ce48940b7d61c,0,0,71,3,0,5,70,74,-10.181000000000001,-0.10400000000000001,6,1.0,0.95187372,+,2.8743,-,2.8743,https://www.genome.jp/dbget-bin/www_bget?dr:D00957
2813,D00958, Testosterone enanthate (JP17/USP), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2OC(=O)CCCCCC)C,400.594,6.4005,119.131,43.37,43,0,3,VOCBWIIFXDYGNZ-IXKNJLPQSA-N,C26H40O3,CCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1",-4.4441,-3.3027,-2.9734,-1.2028,-0.8519,-0.7993,0.4927,0.5063,0.6387,0.6433,1.1218,D00958_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48950b7d61c,0,0,69,3,0,7,69,72,-10.154,-0.069,6,0.0,0.919721425,-,2.4297,-,2.4297,https://www.genome.jp/dbget-bin/www_bget?dr:D00958
2814,D00959, Testosterone propionate (JP17/USP), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]([C@H]3[C@](CC2)([C@H](CC3)OC(=O)CC)C)CCC2=CC(=O)CC[C@]12C,344.48800000000006,4.8401,99.90299999999999,43.37,35,0,3,PDMMFKSKQVNJMI-BLQWBTBKSA-N,C22H32O3,CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",-4.4177,-3.3024,-3.0022,-1.2078,-0.8455,-0.7995,0.4562,0.4755,0.4897,0.6391,1.1177,D00959_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48950b7d61c,0,0,57,3,0,3,57,60,-10.179,-0.10800000000000001,6,0.0,0.6262370939999999,-,1.8353,-,1.8353,https://www.genome.jp/dbget-bin/www_bget?dr:D00959
2815,D06085, Testosterone ketolaurate (USAN/INN), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2OC(=O)CC(=O)CCCCCCCCC)C,484.71,7.53,143.366,60.44,52,0,4,LTGBMQYUNNUCHA-DQUDHZTESA-N,C31H48O4,CCCCCCCCCC(=O)CC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C31H48O4/c1-4-5-6-7-8-9-10-11-23(32)21-29(34)35-28-15-14-26-25-13-12-22-20-24(33)16-18-30(22,2)27(25)17-19-31(26,28)3/h20,25-28H,4-19,21H2,1-3H3/t25-,26-,27-,28-,30-,31-/m0/s1",-4.4832,-3.3083,-2.9774,-2.9693,-1.7005,-1.2112,0.7759,0.9518,1.1327,1.189,1.5356,D06085_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a00002000000001000000002041022000000000008200081008000004000000008000088002140090004000000000008010000001000102040000800000000000200000000c0000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407807,00000002000002000208008114892ee48958b7d61c,0,0,82,4,0,12,83,86,-10.226,-0.14400000000000002,6,1.0,0.981653035,-,3.7011,-,3.7011,https://www.genome.jp/dbget-bin/www_bget?dr:D06085
2816,D06086, Testosterone phenylacetate (USAN), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2OC(=O)Cc1ccccc1)C,406.55699999999996,5.6728,119.583,43.37,37,0,3,WIJSFCWRMNIREB-ZLQWOROUSA-N,C27H34O3,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2OC(=O)Cc1ccccc1)C)C,"InChI=1S/C27H34O3/c1-26-14-12-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)30-25(29)16-18-6-4-3-5-7-18/h3-7,17,21-24H,8-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1",-4.4183,-3.3049,-2.9859,-1.214,-0.8513,-0.7981,0.4875,0.4902,0.6371,1.1258,1.284,D06086_G03BA03,00040000002002240200020100020000000000800040400000000080000420001000400000800001800a0008200001000100000000204106200000020000820808100800000404400000800008800205009000400000000840881800000000014204000080000000000000004000080000030100000100000000000140000100,14000000303005,1f0000000000010000009000000000000001000000000000000000000000000000004240407805,00000002000002000208008014892ce48940b7d61e,0,6,59,3,0,4,64,68,-9.974,-0.067,6,1.0,0.941256106,+,2.3882,-,2.3882,https://www.genome.jp/dbget-bin/www_bget?dr:D06086
2817,D06087, Testosterone undecanoate (USAN), 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2OC(=O)CCCCCCCCCC)C,456.7,7.9609,138.359,43.37,51,0,3,UDSFVOAUHKGBEK-CNQKSJKFSA-N,C30H48O3,CCCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",-4.4339,-3.3076,-2.9798,-1.2153,-0.8497,-0.8004,0.4751,0.491,0.5806,0.6386,1.1256,D06087_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48950b7d61c,0,0,81,3,0,11,81,84,-10.168,-0.096,6,1.0,0.9031393529999999,-,3.4373,-,3.4373,https://www.genome.jp/dbget-bin/www_bget?dr:D06087
2818,D08573, Testosterone decanoate, 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCC)C)C,442.67400000000004,7.5708,133.55200000000002,43.37,49,0,3,LBERVHLCXUMDOT-MPZZESAYSA-N,C29H46O3,CCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1",-4.3857,-3.3024,-3.0234,-1.2011,-0.8268,-0.7987,0.4896,0.5618,0.6389,0.6885,1.103,D08573_G03BA03,00000000000002240200000100020000000000800040400000000000000420001000000000800001800a0000200000000100000000204102200000000000820008100800000400000000800008800204009000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ee48950b7d61c,0,0,78,3,0,10,78,81,-10.131,-0.083,6,-1.0,0.9785220029999999,-,3.2016,-,3.2016,https://www.genome.jp/dbget-bin/www_bget?dr:D08573
2819,D08574, Testosterone phenylpropionate, 3-oxoandrosten (4) derivatives,G03BA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCc1ccccc1)C)C,420.584,6.0629,124.39,43.37,39,0,3,HHSXYDOROIURIP-FEZCWRLCSA-N,C28H36O3,O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)CCc1ccccc1,"InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1",-4.4514,-3.3071,-2.9968,-1.2071,-0.8451,-0.8009,0.5282,0.5468,0.6113,0.639,1.1166,D08574_G03BA03,00040000000002240200020100020000000000800040400000000080000c20001000400040800001800a0008200100000100000008204102200000020000820008100800000400000000800008800204009000400000100840881800000800010204000080000000000000000000080000030100000100000800000140000100,14000000303005,1f0000000000010000009000000000000001000000000000000000000000000000004240407805,00000002000002000208008014892ce48940b7d61e,0,6,62,3,0,5,67,71,-9.985,-0.067,6,-2.0,0.963804185,+,2.4518,-,2.4518,https://www.genome.jp/dbget-bin/www_bget?dr:D08574
2820,D04947, Mesterolone (USAN/INN), 5-androstanon (3) derivatives,G03BB01,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C[C@H]2[C@]([C@H]1C)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)[C@H](CC2)O)C,304.467,4.2051,90.6398,37.3,34,1,2,UXYRZJKIQKRJCF-TZPFWLJSSA-N,C20H32O2,O=C1CC(C)C2(C(C1)CCC1C2CCC2(C1CCC2O)C)C,"InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1",-2.9302,-1.9164,-0.4832,-0.2935,-0.2445,-0.2085,0.2213,0.2574,0.2595,0.2602,0.5411,D04947_G03BB01,0000000000000200000000010000000000000000000000000000000000000000100000000000000100020000000000000100000000204002000000000000000008000800000000000000800008800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,1400002c00a001,0f2800000000010000000000000000000000000000000000000000000000000000004000400805,00000000000000000200008690892cc00954b5d21c,0,0,56,1,0,0,54,57,-10.323,0.772,8,0.0,0.49264729,-,1.584,-,1.584,https://www.genome.jp/dbget-bin/www_bget?dr:D04947
2821,D00554, Ethinyl estradiol (USP)," Natural and semisynthetic estrogens, plain",G03CA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCc1c2ccc(c1)O)C,296.403,3.6126,88.8408,40.46,26,2,2,BFPYWIDHMRZLRN-SLHNCBLASA-N,C20H24O2,C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",-3.3168,-0.9268,-0.4878,-0.46399999999999997,-0.4611,-0.4478,0.4699,0.4791,0.4883,0.5166,0.8340000000000001,D00554_G03CA01,0004000000080200020202010200000000000000000012000100008000000000100040000040000100000008080100000102020000204002000000020002000008000900200000000000a00002000000008000408000100840080800000800000100000000000002020000400020480000020100020100200800004300000000,0000004c02b001,2f4800000000000000000000000000000000000000010000000000000000000000004200400004,00000100000000000200008690892dc00dc4a5d01e,0,6,42,0,1,0,46,49,-9.167,0.523,5,-1.0,0.6646553279999999,-,1.3569,-,1.3569,https://www.genome.jp/dbget-bin/www_bget?dr:D00554
2822,D00554, Ethinyl estradiol (USP), Estrogens,L02AA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCc1c2ccc(c1)O)C,296.403,3.6126,88.8408,40.46,26,2,2,BFPYWIDHMRZLRN-SLHNCBLASA-N,C20H24O2,C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",-3.2834,-0.9396,-0.4638,-0.4628,-0.4592,-0.4519,0.4784,0.4884,0.5146,0.5622,0.8348,D00554_L02AA03,0004000000080200020202010200000000000000000012000100008000000000100040000040000100000008080100000102020000204002000000020002000008000900200000000000a00002000000008000408000100840080800000800000100000000000002020000400020480000020100020100200800004300000000,0000004c02b001,2f4800000000000000000000000000000000000000010000000000000000000000004200400004,00000100000000000200008690892dc00dc4a5d01e,0,6,42,0,1,0,46,49,-9.167,0.523,5,-1.0,0.6646553279999999,-,1.3569,-,1.3569,https://www.genome.jp/dbget-bin/www_bget?dr:D00554
2823,D07928, Ethinylestradiol propanesulfonate," Natural and semisynthetic estrogens, plain",G03CA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCc1c2ccc(c1)OS(=O)(=O)C(C)C)C,402.54699999999997,5.1048,111.88799999999999,71.98,34,1,4,KPEUDULLQDHKAZ-VROINQGHSA-N,C23H30O4S,C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)C(C)C,"InChI=1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1",-8.8969,-8.8961,-3.3052,-3.2308,-1.1151,-0.9794,0.9847,0.9936,1.0759,1.1627,1.4228,D07928_G03CA01,200401000008020002060201020000000000000000041210010000800200080011004008104000010000000808010000010202000020c002000000020002000208000900200008800200a40002000000408080408020100840088800000800000102000000000082022000482020482000025100020300200800024700000000,0000004c00b001,2f4800000000000000000000000000000000000000000000000028000000000000004200402805,00000100c080441a06038186b08b2de88bdcbfd01e,0,6,52,2,1,3,58,61,-9.799,-1.188,5,0.0,0.821921349,-,1.2674,-,1.2674,https://www.genome.jp/dbget-bin/www_bget?dr:D07928
2824,D07928, Ethinylestradiol propanesulfonate, Estrogens,L02AA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]12[C@@]([C@@](CC2)(C#C)O)(CC[C@H]2[C@H]1CCc1c2ccc(c1)OS(=O)(=O)C(C)C)C,402.54699999999997,5.1048,111.88799999999999,71.98,34,1,4,KPEUDULLQDHKAZ-VROINQGHSA-N,C23H30O4S,C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)C(C)C,"InChI=1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1",-8.8964,-8.8942,-3.3015,-3.2274,-1.1103,-0.9737,0.9853,0.9931,1.0619,1.1591,1.4215,D07928_L02AA03,200401000008020002060201020000000000000000041210010000800200080011004008104000010000000808010000010202000020c002000000020002000208000900200008800200a40002000000408080408020100840088800000800000102000000000082022000482020482000025100020300200800024700000000,0000004c00b001,2f4800000000000000000000000000000000000000000000000028000000000000004200402805,00000100c080441a06038186b08b2de88bdcbfd01e,0,6,52,2,1,3,58,61,-9.799,-1.188,5,0.0,0.821921349,-,1.2674,-,1.2674,https://www.genome.jp/dbget-bin/www_bget?dr:D07928
2825,D00105, Estradiol (JAN/USP/INN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C)O,272.382,3.6092,81.0268,40.46,26,2,2,VOXZDWNPVJITMN-ZBRFXRBCSA-N,C18H24O2,Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",-1.9516,-0.4629,-0.4494,-0.4291,-0.4132,-0.4004,0.3127,0.4261,0.4768,0.4908,0.5138,D00105_G03CA03,0004000000000200020002010200000000000000000012000100008000000000100040000040000100000008000100000102020000204002000000020002000008000800200000000000a00002000000008000400000100840080800000800000100000000000002020000400000080000020100020100200800004300000000,0000002c02b001,0f2800000000000000000000000000000000000000010000000000000000000000004200400004,00000000000000000200008690892dc00dc4a5d01e,0,6,41,0,0,0,44,47,-9.136000000000001,0.57,5,0.0,0.41940742700000005,-,1.3489,-,1.3489,https://www.genome.jp/dbget-bin/www_bget?dr:D00105
2826,D01413, Estradiol valerate (JAN/USP/INN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)OC(=O)CCCC)C,356.49800000000005,5.3503,105.185,46.53,35,1,3,RSEPBGGWRJCQGY-RBRWEJTLSA-N,C23H32O3,CCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1",-4.4036,-3.0112,-1.2016,-0.8314,-0.5714,-0.46399999999999997,0.4532,0.4599,0.4785,0.4887,1.1092,D01413_G03CA03,00040000000002000200020102020000000000000000120001000080000400001000400000400001000a0008200100000102020000204002000000020002820008100800200000000000a00002800004009000400000100840080800000800000100000000000002020000400000080000030100020100200800004340000100,0400000432b005,0f0000000000000000009000000000000000000000010000000000000000000000004200402805,00000000000000000200008410892fe409c4b7d61e,0,6,54,1,0,5,58,61,-9.174,0.522,5,1.0,0.783682048,-,1.591,-,1.591,https://www.genome.jp/dbget-bin/www_bget?dr:D01413
2827,D01617, Estradiol dipropionate (JAN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)[C@H](CC2)OC(=O)CC)OC(=O)CC,384.50800000000004,5.1799,109.854,52.6,36,0,4,JQIYNMYZKRGDFK-RUFWAXPRSA-N,C24H32O4,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OC(=O)CC)C,"InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1",-4.4441,-4.3928,-2.986,-1.5785,-1.1964,-0.8402,0.4394,0.5277,0.5468,0.8087,1.1078,D01617_G03CA03,00040010000002000200020102020000000000000000120001000080000400001000400000400011000a0008200100000102020000204802000000020002820008300800210001018000a020028280000090004000001008400808000008000001000000000004020200004200100800000301000a0100200800004340000004,04000000703005,0f0000000000000000009000000000000000000000000000000000000000000000004200402805,00000000000000000200008010892fe489d8b7d61e,0,6,55,2,0,6,60,63,-9.607000000000001,0.252,5,,0.8506355290000001,+,1.7122,-,1.7122,https://www.genome.jp/dbget-bin/www_bget?dr:D01617
2828,D01953, Estradiol benzoate (JP17)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)O)C)CCc1c2ccc(c1)OC(=O)c1ccccc1,376.48800000000006,5.1228,110.404,46.53,31,1,3,UYIFTLBWAOGQBI-BZDYCCQFSA-N,C25H28O3,O=C(c1ccccc1)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1",-4.2635,-1.9395,-1.5327,-0.5546,-0.5443,-0.5203,0.4965,0.4971,0.5126,0.5321,0.8132,D01953_G03CA03,00040010000002c00200020102020000000000000000120001200080000000001410c00000400011200a0208000100000102020000204802000000020002020008000802210001018000a120028280000080004000001008400808000009000001000000000004020240004000100800000201000a0100200808004300000004,0400002c50b005,0f2800000000000000009000000000000001000000000000000000000000000000004240402004,00000000000000000200008690892de409c4a7d21e,0,12,47,1,0,3,56,60,-9.55,-0.326,5,1.0,0.928273082,-,1.8149,-,1.8149,https://www.genome.jp/dbget-bin/www_bget?dr:D01953
2829,D04061, Estradiol acetate (USAN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)OC(=O)C)CC[C@@]1([C@H](CC2)O)C,314.41900000000004,3.8289,90.5028,46.53,29,1,3,FHXBMXJMKMWVRG-SLHNCBLASA-N,C20H26O3,CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1",-4.4285,-1.9269,-1.5808,-0.5378,-0.5086,-0.4806,0.3862,0.4264,0.4673,0.5156,0.8122,D04061_G03CA03,00040010000002000200020102020000000000000000120001000080000000001000400000400011000a0008000100000102020000204802000000020002020008000800210001018000a020028280000080004000001008400808000008000001000000000004020200004000100800000201000a0100200800004300000004,0400002c50b005,0f2800000000000000009000000000000000000000000000000000000000000000004200402805,00000000000000000200008690892de409c4b7d21e,0,6,45,1,0,2,49,52,-9.559,0.276,5,,0.554842651,-,1.3888,-,1.3888,https://www.genome.jp/dbget-bin/www_bget?dr:D04061
2830,D04063, Estradiol cypionate (USP)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCC1CCCC1)C)O,396.56199999999995,6.1305,117.492,46.53,39,1,3,UOACKFBJUYNSLK-XRKIENNPSA-N,C26H36O3,O=C(OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)CCC1CCCC1,"InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1",-4.4483,-2.9973,-1.2071,-0.8358,-0.46399999999999997,-0.4524,0.4058,0.4304,0.4806,0.4867,1.1148,D04063_G03CA03,00040000000002000200020102020000000000000000120001000080000400001000400000400001000a0008200100000102020000204002000000020002820008100800200000000000a0000a800004009000400000100840080800000800000100000000000002020000400000080000030100020100200800004340000100,0400000432b005,0f0000000000000000009000000000000000000000010000000000000000000000004200402805,00000000000000000200008410892de409c4a7d61e,0,6,62,1,0,5,65,69,-9.163,0.523,5,,0.94592154,+,2.3163,-,2.3163,https://www.genome.jp/dbget-bin/www_bget?dr:D04063
2831,D04064, Estradiol enanthate (USAN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCC)C)O,384.55199999999996,6.1305,114.79899999999999,46.53,39,1,3,RFWTZQAOOLFXAY-BZDYCCQFSA-N,C25H36O3,CCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1",-4.4409,-2.991,-1.2082,-0.8403,-0.4641,-0.4477,0.4059,0.4294,0.4797,0.4879,1.1169,D04064_G03CA03,00040000000002000200020102020000000000000000120001000080000400001000400000400001000a0008200100000102020000204002000000020002820008100800200000000000a0000a800004009000400000100840080800000800000100000000000002020000400000080000030100020100200800004340000100,0400000432b005,0f0000000000000000009000000000000000000000010000000000000000000000004200402805,00000000000000000200008410892fe409c4b7d61e,0,6,60,1,0,7,64,67,-9.168,0.517,5,5.0,0.915365875,-,1.8975,-,1.8975,https://www.genome.jp/dbget-bin/www_bget?dr:D04064
2832,D04065, Estradiol undecylate (USAN/INN)," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCCC)C)O,440.658,7.6909,134.02700000000002,46.53,47,1,3,TXHUMRBWIWWBGW-GVGNIZHQSA-N,C29H44O3,CCCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27+,29+/m1/s1",-4.4127,-2.9988,-1.2121,-0.8655,-0.4643,-0.4481,0.3934,0.4298,0.4793,0.4888,1.1338,D04065_G03CA03,00040000000002000200020102020000000000000000120001000080000400001000400000400001000a0008200100000102020000204002000000020002820008100800200000000000a0000a800004009000400000100840080800000800000100000000000002020000400000080000030100020100200800004340000100,0400000432b005,0f0000000000000000009000000000000000000000010000000000000000000000004200402805,00000000000000000200008410892fe409c4b7d61e,0,6,72,1,0,11,76,79,-9.166,0.516,5,,0.9855673909999999,-,2.8141,-,2.8141,https://www.genome.jp/dbget-bin/www_bget?dr:D04065
2833,D07918, Estradiol hemihydrate," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)O)C,272.382,3.6092,81.0268,40.46,26,2,2,VOXZDWNPVJITMN-ZBRFXRBCSA-N,C18H24O2,Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",-1.9412,-0.4642,-0.4456,-0.4321,-0.4035,-0.3871,0.3167,0.4331,0.474,0.479,0.4882,D07918_G03CA03,0004000000000200020002010200000000000000000012000100008000000000100040000040000100000008000100000102020000204002000000020002000008000800200000000000a00002000000008000400000100840080800000800000100000000000002020000400000080000020100020100200800004300000000,0000002c02b001,0f2800000000000000000000000000000000000000010000000000000000000000004200400004,00000000000000000200008690892dc00dc4a5d01e,0,6,41,0,0,0,44,47,-9.121,0.5820000000000001,5,2.0,0.42356953,-,1.3489,-,1.3489,https://www.genome.jp/dbget-bin/www_bget?dr:D07918
2834,D07919, Estradiol 17 beta-hemisuccinate," Natural and semisynthetic estrogens, plain",G03CA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)OC(=O)CCC(=O)O)C,372.455,4.0249,102.15,83.83,32,2,5,YJPIDPAGJSWWBE-FNIAAEIWSA-N,C22H28O5,OC(=O)CCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1",-4.584,-4.4078,-4.3949,-3.0087,-2.4206,-2.0540000000000003,1.534,1.9886,2.0016,2.0585,2.3712,D07919_G03CA03,00040000000002000200020102020000000000000000120001000080000400001000400000400001000a0008200100000102020000204012000100020002820008100800200000000000a00002800004009000400000100840080800000800000100000000000002020000400000280000030100020100200800004340000400,0400000c32b007,0f0000000000000000009800000000000000000000010000000000000000000000004200402805,00000000000000000200008690892de48dcca7d61e,0,6,50,2,0,5,55,58,-4.4910000000000005,1.75,5,0.0,0.000929135,-,1.6961,-,1.6961,https://www.genome.jp/dbget-bin/www_bget?dr:D07919
2835,D00185, Estriol (JP17/USP)," Natural and semisynthetic estrogens, plain",G03CA04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)O)O)C,288.381,2.58,82.1886,60.69,27,3,3,PROQIPRRNZUXQM-ZXXIGWHRSA-N,C18H24O3,Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",-1.9213,-1.9068,-1.1341,-1.1237,-0.9439,-0.9258,0.5427,0.5679,0.7329,0.8084,0.8122,D00185_G03CA04,0004000000000200020002010200000000000000000012000100008000000000100040000040000500000008000100000102020000204002000000020002000008000800200000000000a00202000000008000400000100840080800000800000100000000000002020000400000080000020100020100200800004300000000,0000002c02b001,0f2800000001000000000000000000000000000000010000000000000000000000004200400004,00000000000020008200008690892dc00dc4a7d01e,0,6,42,0,0,0,45,48,-9.092,0.598,6,0.0,0.23230138399999997,-,1.3585,-,1.3585,https://www.genome.jp/dbget-bin/www_bget?dr:D00185
2836,D00185, Estriol (JP17/USP)," Estrogens, combinations with other drugs",G03CC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)O)O)C,288.381,2.58,82.1886,60.69,27,3,3,PROQIPRRNZUXQM-ZXXIGWHRSA-N,C18H24O3,Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",-1.9213,-1.9068,-1.1341,-1.1237,-0.9439,-0.9258,0.5427,0.5679,0.7329,0.8084,0.8122,D00185_G03CC06,0004000000000200020002010200000000000000000012000100008000000000100040000040000500000008000100000102020000204002000000020002000008000800200000000000a00202000000008000400000100840080800000800000100000000000002020000400000080000020100020100200800004300000000,0000002c02b001,0f2800000001000000000000000000000000000000010000000000000000000000004200400004,00000000000020008200008690892dc00dc4a7d01e,0,6,42,0,0,0,45,48,-9.092,0.598,6,0.0,0.23230138399999997,-,1.3585,-,1.3585,https://www.genome.jp/dbget-bin/www_bget?dr:D00185
2837,D01986, Estriol tripropionate (JAN)," Natural and semisynthetic estrogens, plain",G03CA04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)OC(=O)CC)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CC)OC(=O)CC)C,456.57099999999997,5.1116,125.56,78.9,42,0,6,ONMZMZJEZHMWQL-REUUDLSRSA-N,C27H36O6,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2OC(=O)CC)OC(=O)CC)C,"InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1",-4.4863,-4.4106,-4.3967,-3.0038,-3.0015,-1.5836,1.0144,1.0964,1.1257,1.2808,1.5342,D01986_G03CA04,00040010000002000200020102020000200000000000120001000080000400001000400800400015000a0008200100000102020000204802000000020002820008b00800210001018000a022028280000090004000001008400808000028000041000000000004020200004200100800000301000a0500200800004340000004,04000000703005,0f0000000000000000009000000000000000000000000000000000000000000000004200402805,00000000000000008200008010892fe489d8b7d61e,0,6,63,3,0,9,69,72,-9.615,0.22899999999999998,6,1.0,0.855127215,+,2.4286,-,2.4286,https://www.genome.jp/dbget-bin/www_bget?dr:D01986
2838,D01986, Estriol tripropionate (JAN)," Estrogens, combinations with other drugs",G03CC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)OC(=O)CC)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CC)OC(=O)CC)C,456.57099999999997,5.1116,125.56,78.9,42,0,6,ONMZMZJEZHMWQL-REUUDLSRSA-N,C27H36O6,CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2OC(=O)CC)OC(=O)CC)C,"InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1",-4.495,-4.4178,-4.4154,-2.9892,-2.9828,-1.5865,0.8162,1.0587,1.0912,1.093,1.5278,D01986_G03CC06,00040010000002000200020102020000200000000000120001000080000400001000400800400015000a0008200100000102020000204802000000020002820008b00800210001018000a022028280000090004000001008400808000028000041000000000004020200004200100800000301000a0500200800004340000004,04000000703005,0f0000000000000000009000000000000000000000000000000000000000000000004200402805,00000000000000008200008010892fe489d8b7d61e,0,6,63,3,0,9,69,72,-9.615,0.22899999999999998,6,1.0,0.855127215,+,2.4286,-,2.4286,https://www.genome.jp/dbget-bin/www_bget?dr:D01986
2839,D01989, Estriol diacetate benzoate (JAN)," Natural and semisynthetic estrogens, plain",G03CA04,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@@H](C2)OC(=O)C)OC(=O)C)C)OC(=O)c1ccccc1,476.561,5.2352,131.04,78.9,38,0,6,VQHGRIUWSVCJPX-HSZAMCLRSA-N,C29H32O6,CC(=O)OC1CC2C(C1OC(=O)C)(C)CCC1C2CCc2c1ccc(c2)OC(=O)c1ccccc1,"InChI=1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1",-4.4268,-4.4243,-4.3033,-3.0019,-2.992,-1.5241,1.109,1.1152,1.1193,1.3803,1.5312,D01989_G03CA04,00040010000002c00200020102020000200000000000120001200080000400001410c00800400015200a0208200100000102020000204802000000020002820008100802210001018000a122028280000080004000001008400808000029000041000000000004020240004000100800000301000a0500200808004300000004,04000000703005,0f0000000000000000009000000000000001000000000000000000000000000000004240402805,00000000000000008200008010892de489d8b7d21e,0,12,56,3,0,7,67,71,-9.588,-0.337,6,0.0,0.930735946,+,2.8859,-,2.8859,https://www.genome.jp/dbget-bin/www_bget?dr:D01989
2840,D01989, Estriol diacetate benzoate (JAN)," Estrogens, combinations with other drugs",G03CC06,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@@H](C2)OC(=O)C)OC(=O)C)C)OC(=O)c1ccccc1,476.561,5.2352,131.04,78.9,38,0,6,VQHGRIUWSVCJPX-HSZAMCLRSA-N,C29H32O6,CC(=O)OC1CC2C(C1OC(=O)C)(C)CCC1C2CCc2c1ccc(c2)OC(=O)c1ccccc1,"InChI=1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1",-4.4348,-4.4059,-4.2944,-3.0057,-2.9875,-1.5169,0.8305,1.1033,1.1217,1.2204,1.5333,D01989_G03CC06,00040010000002c00200020102020000200000000000120001200080000400001410c00800400015200a0208200100000102020000204802000000020002820008100802210001018000a122028280000080004000001008400808000029000041000000000004020240004000100800000301000a0500200808004300000004,04000000703005,0f0000000000000000009000000000000001000000000000000000000000000000004240402805,00000000000000008200008010892de489d8b7d21e,0,12,56,3,0,7,67,71,-9.588,-0.337,6,0.0,0.930735946,+,2.8859,-,2.8859,https://www.genome.jp/dbget-bin/www_bget?dr:D01989
2841,D07920, Estriol succinate," Natural and semisynthetic estrogens, plain",G03CA04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)C,488.527,3.4114,124.435,147.43,39,3,9,VBRVDDFOBZNCPF-BRSFZVHSSA-N,C26H32O9,OC(=O)CCC(=O)OC1CC2C(C1OC(=O)CCC(=O)O)(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)/t17-,18-,19+,20-,25+,26+/m1/s1",-4.7023,-4.5803,-4.4477,-4.4161,-4.391,-4.3298,1.6474,2.0886,2.353,2.3687,2.4087,D07920_G03CA04,00040000000002000200020102020000200000000000120001000080000400001000400800400005000a0008200100000102020000204012000100020002820008900800200000000000a002028000040090004000001008400808000028000041000000000000020200004000002800000301000a0500200800004340000400,0400000c32b007,0f0000000000000000009800000000000000000000010000000000000000000000004200402805,00000000000000008200008690892de48dcca7d61e,0,6,60,4,0,10,67,70,-2.498,2.903,6,0.0,9.36482e-07,-,3.0314,-,3.0314,https://www.genome.jp/dbget-bin/www_bget?dr:D07920
2842,D07920, Estriol succinate," Estrogens, combinations with other drugs",G03CC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)C,488.527,3.4114,124.435,147.43,39,3,9,VBRVDDFOBZNCPF-BRSFZVHSSA-N,C26H32O9,OC(=O)CCC(=O)OC1CC2C(C1OC(=O)CCC(=O)O)(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)/t17-,18-,19+,20-,25+,26+/m1/s1",-4.5937,-4.5658,-4.4368,-4.4356,-4.4261,-4.4155,1.9749,2.0714,2.3575,2.3703,2.3918,D07920_G03CC06,00040000000002000200020102020000200000000000120001000080000400001000400800400005000a0008200100000102020000204012000100020002820008900800200000000000a002028000040090004000001008400808000028000041000000000000020200004000002800000301000a0500200800004340000400,0400000c32b007,0f0000000000000000009800000000000000000000010000000000000000000000004200402805,00000000000000008200008690892de48dcca7d61e,0,6,60,4,0,10,67,70,-2.498,2.903,6,0.0,9.36482e-07,-,3.0314,-,3.0314,https://www.genome.jp/dbget-bin/www_bget?dr:D07920
2843,D07921, Estriol sodium succinate (BAN)," Natural and semisynthetic estrogens, plain",G03CA04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)C,488.527,3.4114,124.435,147.43,39,3,9,VBRVDDFOBZNCPF-BRSFZVHSSA-N,C26H32O9,OC(=O)CCC(=O)OC1CC2C(C1OC(=O)CCC(=O)O)(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)/t17-,18-,19+,20-,25+,26+/m1/s1",-4.5689,-4.5605,-4.4405,-4.426,-4.4224,-4.4131,1.6406,1.6448,2.3624,2.3664,2.4028,D07921_G03CA04,00040000000002000200020102020000200000000000120001000080000400001000400800400005000a0008200100000102020000204012000100020002820008900800200000000000a002028000040090004000001008400808000028000041000000000000020200004000002800000301000a0500200800004340000400,0400000c32b007,0f0000000000000000009800000000000000000000010000000000000000000000004200402805,00000000000000008200008690892de48dcca7d61e,0,6,60,4,0,10,67,70,-2.392,2.908,6,0.0,8.08929e-12,-,2.9865,-,2.9865,https://www.genome.jp/dbget-bin/www_bget?dr:D07921
2844,D07921, Estriol sodium succinate (BAN)," Estrogens, combinations with other drugs",G03CC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H]([C@@H](C2)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)C,488.527,3.4114,124.435,147.43,39,3,9,VBRVDDFOBZNCPF-BRSFZVHSSA-N,C26H32O9,OC(=O)CCC(=O)OC1CC2C(C1OC(=O)CCC(=O)O)(C)CCC1C2CCc2c1ccc(c2)O,"InChI=1S/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)/t17-,18-,19+,20-,25+,26+/m1/s1",-4.6113,-4.5845,-4.4515,-4.4307,-4.4215,-4.2587,1.6059,1.6112,2.3491,2.3825,2.3871,D07921_G03CC06,00040000000002000200020102020000200000000000120001000080000400001000400800400005000a0008200100000102020000204012000100020002820008900800200000000000a002028000040090004000001008400808000028000041000000000000020200004000002800000301000a0500200800004340000400,0400000c32b007,0f0000000000000000009800000000000000000000010000000000000000000000004200402805,00000000000000008200008690892de48dcca7d61e,0,6,60,4,0,10,67,70,-2.392,2.908,6,0.0,8.08929e-12,-,2.9865,-,2.9865,https://www.genome.jp/dbget-bin/www_bget?dr:D07921
2845,D00269, Chlorotrianisene (INN)," Natural and semisynthetic estrogens, plain",G03CA06,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(c1ccc(cc1)OC)Cl)(c1ccc(cc1)OC)c1ccc(cc1)OC,380.86400000000003,5.8678,110.571,27.69,24,0,3,BFPSDSIWYFKGBC-UHFFFAOYSA-N,C23H21ClO3,COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,"InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3",-1.0274,-1.0271,-1.0266,-0.3148,-0.3148,-0.3147,0.3183,0.3188,0.3195,0.335,0.3357,D00269_G03CA06,000402000000000402000200880240000000004000205200000000a800000000100040000100000080010018000000000000020010000000000000020004000008000000030000010000000002000000008000500001000841080800000040000004000980000482008000000010000000020100080100200800000000000000,00000000503001,000002000000000008000000000000000000000000000000000000000000000000000240402000,00000000000002000008001044040160205093d01e,0,18,31,1,0,6,48,50,-8.779,-0.28300000000000003,0,1.0,0.936109185,+,0.8678,-,0.8678,https://www.genome.jp/dbget-bin/www_bget?dr:D00269
2846,D00067, Estrone (JAN/USP/INN)," Natural and semisynthetic estrogens, plain",G03CA07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1(C(=O)CC2)C,270.366,3.8174,80.065,37.3,24,1,2,DNXHEGUUPJUMQT-CBZIJGRNSA-N,C18H22O2,Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",-2.9932,-0.46399999999999997,-0.4456,-0.4322,-0.40299999999999997,-0.349,0.299,0.3166,0.4058,0.4326,0.4787,D00067_G03CA07,000400000000020002000201020000000000000000001200010000800000000010004000004000000002000800010000010202000020000200000002000200000800000020000000000020000a800004009000400000100840080800000800000100000000000002020000400000000000020100020100200800004300000100,1400000402b001,0f0000000000010000000000000000000000000000010000000000000000000000004200400805,00000000000000000200008410892dc009c4a5d21e,0,6,38,1,0,0,42,45,-9.21,0.5,4,,0.500025272,-,1.3507,-,1.3507,https://www.genome.jp/dbget-bin/www_bget?dr:D00067
2847,D00067, Estrone (JAN/USP/INN)," Estrogens, combinations with other drugs",G03CC04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1(C(=O)CC2)C,270.366,3.8174,80.065,37.3,24,1,2,DNXHEGUUPJUMQT-CBZIJGRNSA-N,C18H22O2,Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",-2.9932,-0.46399999999999997,-0.4456,-0.4322,-0.40299999999999997,-0.349,0.299,0.3166,0.4058,0.4326,0.4787,D00067_G03CC04,000400000000020002000201020000000000000000001200010000800000000010004000004000000002000800010000010202000020000200000002000200000800000020000000000020000a800004009000400000100840080800000800000100000000000002020000400000000000020100020100200800004300000100,1400000402b001,0f0000000000010000000000000000000000000000010000000000000000000000004200400805,00000000000000000200008410892dc009c4a5d21e,0,6,38,1,0,0,42,45,-9.21,0.5,4,,0.500025272,-,1.3507,-,1.3507,https://www.genome.jp/dbget-bin/www_bget?dr:D00067
2848,D00312, Estrone sodium sulfate," Natural and semisynthetic estrogens, plain",G03CA07,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)C(=O)CC2)OS(=O)(=O)O,350.42900000000003,4.3742,90.2628,89.05,26,1,5,JKKFKPJIXZFSSB-CBZIJGRNSA-N,C18H22O5S,O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",-10.8103,-10.7662,-10.177,-3.927,-3.0008,-2.0246,1.0355,1.272,2.4083,2.6026,2.6421,D00312_G03CA07,200401000000020002040201020000000000000000001200010000800000100011004000104000000002000800010000010202000020800200000002000a00020800000020000000020020000a800004009080400020100840088800000800000128000000000082022000402000002000024100020300200800024300000100,1400000000b001,0f0000000000010000000000000000000000000000000000000801000000000000004200402805,00000000c080401a16018080308b2de88bccafd21e,0,6,40,3,0,2,46,49,-6.515,2.174,4,0.0,0.000760965,+,1.1447,-,1.1447,https://www.genome.jp/dbget-bin/www_bget?dr:D00312
2849,D00312, Estrone sodium sulfate," Estrogens, combinations with other drugs",G03CC04,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)C(=O)CC2)OS(=O)(=O)O,350.42900000000003,4.3742,90.2628,89.05,26,1,5,JKKFKPJIXZFSSB-CBZIJGRNSA-N,C18H22O5S,O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",-10.8053,-10.7661,-10.1782,-3.9227,-3.0008,-1.9945,1.0358,1.291,2.4065,2.597,2.6389,D00312_G03CC04,200401000000020002040201020000000000000000001200010000800000100011004000104000000002000800010000010202000020800200000002000a00020800000020000000020020000a800004009080400020100840088800000800000128000000000082022000402000002000024100020300200800024300000100,1400000000b001,0f0000000000010000000000000000000000000000000000000801000000000000004200402805,00000000c080401a16018080308b2de88bccafd21e,0,6,40,3,0,2,46,49,-6.515,2.174,4,0.0,0.000760965,+,1.1447,-,1.1447,https://www.genome.jp/dbget-bin/www_bget?dr:D00312
2850,D00948, Estropipate (USP)," Natural and semisynthetic estrogens, plain",G03CA07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H](c3c(CC2)cc(cc3)OS(=O)(=O)O)CC[C@]2([C@H]1CCC2=O)C,350.42900000000003,4.3742,90.2628,89.05,26,1,5,JKKFKPJIXZFSSB-CBZIJGRNSA-N,C18H22O5S,O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",-10.7898,-10.7778,-10.2136,-3.9197,-3.0028,-2.0239,1.0741,1.2833,2.4056,2.6086,2.6452,D00948_G03CA07,200401000000020002040201020000000000000000001200010000800000100011004000104000000002000800010000010202000020800200000002000a00020800000020000000020020000a800004009080400020100840088800000800000128000000000082022000402000002000024100020300200800024300000100,1400000000b001,0f0000000000010000000000000000000000000000000000000801000000000000004200402805,00000000c080401a16018080308b2de88bccafd21e,0,6,40,3,0,2,46,49,-6.495,2.241,4,,0.00076484,+,1.1442,-,1.1442,https://www.genome.jp/dbget-bin/www_bget?dr:D00948
2851,D00948, Estropipate (USP)," Estrogens, combinations with other drugs",G03CC04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H](c3c(CC2)cc(cc3)OS(=O)(=O)O)CC[C@]2([C@H]1CCC2=O)C,350.42900000000003,4.3742,90.2628,89.05,26,1,5,JKKFKPJIXZFSSB-CBZIJGRNSA-N,C18H22O5S,O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",-10.7987,-10.7799,-10.1798,-3.9228,-3.0029,-1.9815,1.0445,1.2607,2.4044,2.5979,2.6413,D00948_G03CC04,200401000000020002040201020000000000000000001200010000800000100011004000104000000002000800010000010202000020800200000002000a00020800000020000000020020000a800004009080400020100840088800000800000128000000000082022000402000002000024100020300200800024300000100,1400000000b001,0f0000000000010000000000000000000000000000000000000801000000000000004200402805,00000000c080401a16018080308b2de88bccafd21e,0,6,40,3,0,2,46,49,-6.495,2.241,4,,0.00076484,+,1.1442,-,1.1442,https://www.genome.jp/dbget-bin/www_bget?dr:D00948
2852,D07221, Promestriene (INN)," Natural and semisynthetic estrogens, plain",G03CA09,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@@H](CC[C@@H]1OC)[C@H]1[C@H](CC2)c2c(CC1)cc(cc2)OCCC)C,328.48800000000006,5.3465,99.84,18.46,34,0,2,IUWKNLFTJBHTSD-AANPDWTMSA-N,C22H32O2,CCCOc1ccc2c(c1)CCC1C2CCC2(C1CCC2OC)C,"InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1",-1.5887,-1.575,-1.0198,-0.3143,-0.3046,-0.2988,0.2309,0.244,0.2911,0.3205,0.3324,D07221_G03CA09,0004000000000200020002010202000000000000000012000100008000000000100040000040000100000008000100000102020000204802000000020002800008200800210000018000a020020080000080004000001008400808000008000001000000000004020200004200100800000301000a0100200800004300000004,00000000703001,0f8002000000000000000000000000000000000000000000000000000000000000004200402004,00000000000000000200009010992fe009d0b5d51e,0,6,53,0,0,4,56,59,-8.976,0.727,5,0.0,0.8267833590000001,+,1.3684,-,1.3684,https://www.genome.jp/dbget-bin/www_bget?dr:D07221
2853,D00898, Dienestrol (USP/INN)," Synthetic estrogens, plain",G03CB01,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C\C)(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,266.334,4.6046,84.61200000000001,40.46,20,2,2,NFDFQCUYFHCNBW-SCGPFSFSSA-N,C18H18O2,CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",-0.5724,-0.5719,-0.4638,-0.4638,-0.4454,-0.4453,0.429,0.46,0.4787,0.4788,0.4877,D00898_G03CB01,0005000000000004020002000000400000000040002052000000008000000000100040000180000000001008000100000108020080000000000010020004000008000000020000000000000002000000008000400000100840089800000800000004000081000082010080000000000000020100000100200800040000000000,0000000402b001,110000000000000000000000000000000000000000010000000000000000000000000240402000,00000000000002000008000004000140044491d01e,0,12,25,2,0,3,38,39,-8.516,0.13,0,0.0,0.477375686,+,0.4091,-,0.4091,https://www.genome.jp/dbget-bin/www_bget?dr:D00898
2854,D00898, Dienestrol (USP/INN)," Estrogens, combinations with other drugs",G03CC02,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C\C)(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,266.334,4.6046,84.61200000000001,40.46,20,2,2,NFDFQCUYFHCNBW-SCGPFSFSSA-N,C18H18O2,CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",-0.5721,-0.5708,-0.4638,-0.4635,-0.4459,-0.4456,0.4285,0.4781,0.4784,0.4877,0.4881,D00898_G03CC02,0005000000000004020002000000400000000040002052000000008000000000100040000180000000001008000100000108020080000000000010020004000008000000020000000000000002000000008000400000100840089800000800000004000081000082010080000000000000020100000100200800040000000000,0000000402b001,110000000000000000000000000000000000000000010000000000000000000000000240402000,00000000000002000008000004000140044491d01e,0,12,25,2,0,3,38,39,-8.516,0.13,0,0.0,0.477375686,+,0.4091,-,0.4091,https://www.genome.jp/dbget-bin/www_bget?dr:D00898
2855,D00577, Diethylstilbestrol (USP/INN)," Synthetic estrogens, plain",G03CB02,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)O)/CC)(\c1ccc(cc1)O)/CC,268.35,4.8286,85.086,40.46,22,2,2,RGLYKWWBQGJZGM-ISLYRVAYSA-N,C18H20O2,CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",-0.5083,-0.4903,-0.4638,-0.4637,-0.4458,-0.4451,0.4281,0.4783,0.4791,0.4874,0.4879,D00577_G03CB02,0004000000000004020002000000400000000040002052000000008000000001100040000180000000000018000100000100020000000000000000020004000008000000020000000000000002000000008000400001100840081800000800000204000080000082000000000000000000020100000300200800000000000000,0000000402b001,130000000000000000000000000000000000000000010000000000000000000000000240402000,00000000000002000008000004080340054491d41e,0,12,28,1,0,4,40,41,-8.822000000000001,0.251,0,0.0,0.49018862799999996,+,0.6307,-,0.6307,https://www.genome.jp/dbget-bin/www_bget?dr:D00577
2856,D00577, Diethylstilbestrol (USP/INN)," Estrogens, combinations with other drugs",G03CC05,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)O)/CC)(\c1ccc(cc1)O)/CC,268.35,4.8286,85.086,40.46,22,2,2,RGLYKWWBQGJZGM-ISLYRVAYSA-N,C18H20O2,CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",-0.4669,-0.4647,-0.4638,-0.4638,-0.4455,-0.4454,0.4297,0.4787,0.4789,0.4879,0.4881,D00577_G03CC05,0004000000000004020002000000400000000040002052000000008000000001100040000180000000000018000100000100020000000000000000020004000008000000020000000000000002000000008000400001100840081800000800000204000080000082000000000000000000020100000300200800000000000000,0000000402b001,130000000000000000000000000000000000000000010000000000000000000000000240402000,00000000000002000008000004080340054491d41e,0,12,28,1,0,4,40,41,-8.822000000000001,0.251,0,0.0,0.49018862799999996,+,0.6307,-,0.6307,https://www.genome.jp/dbget-bin/www_bget?dr:D00577
2857,D00577, Diethylstilbestrol (USP/INN), Estrogens,L02AA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C(\c1ccc(cc1)O)/CC)(\c1ccc(cc1)O)/CC,268.35,4.8286,85.086,40.46,22,2,2,RGLYKWWBQGJZGM-ISLYRVAYSA-N,C18H20O2,CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",-0.4638,-0.4634,-0.4457,-0.4456,-0.4378,-0.4312,0.4288,0.4784,0.4785,0.4877,0.4881,D00577_L02AA01,0004000000000004020002000000400000000040002052000000008000000001100040000180000000000018000100000100020000000000000000020004000008000000020000000000000002000000008000400001100840081800000800000204000080000082000000000000000000020100000300200800000000000000,0000000402b001,130000000000000000000000000000000000000000010000000000000000000000000240402000,00000000000002000008000004080340054491d41e,0,12,28,1,0,4,40,41,-8.822000000000001,0.251,0,0.0,0.49018862799999996,+,0.6307,-,0.6307,https://www.genome.jp/dbget-bin/www_bget?dr:D00577
2858,D00946, Diethylstilbestrol diphosphate (USP)," Synthetic estrogens, plain",G03CB02,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(/c1ccc(cc1)OP(=O)(O)O)\CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5124,-10.5066,-10.4977,-10.4894,-10.2609,-10.2447,3.4327,3.4973,5.0704,5.0711,5.0859,D00946_G03CB02,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.273,0,,1.21684e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D00946
2859,D00946, Diethylstilbestrol diphosphate (USP)," Estrogens, combinations with other drugs",G03CC05,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(/c1ccc(cc1)OP(=O)(O)O)\CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5715,-10.5254,-10.5201,-10.5068,-10.2222,-10.1302,3.4589,3.5354,5.0659,5.096,5.122999999999999,D00946_G03CC05,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.273,0,,1.21684e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D00946
2860,D00946, Diethylstilbestrol diphosphate (USP), Estrogens,L02AA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(/c1ccc(cc1)OP(=O)(O)O)\CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.556,-10.5176,-10.5107,-10.4808,-10.2166,-10.177,3.4513,3.51,5.0699,5.0879,5.0902,D00946_L02AA01,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.273,0,,1.21684e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D00946
2861,D00946, Diethylstilbestrol diphosphate (USP), Estrogens,L02AA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(/c1ccc(cc1)OP(=O)(O)O)\CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5684,-10.4943,-10.4709,-10.4302,-10.3734,-10.2982,3.4854,3.488,5.0349,5.0723,5.1142,D00946_L02AA04,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.273,0,,1.21684e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D00946
2862,D07826, Hexestrol diphosphate sodium," Synthetic estrogens, plain",G03CB02,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(\c1ccc(cc1)OP(=O)(O)O)/CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5359,-10.5247,-10.5206,-10.5136,-10.2079,-10.1745,3.503,3.8346,5.065,5.0723,5.0733,D07826_G03CB02,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.272,0,1.0,1.21587e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D07826
2863,D07826, Hexestrol diphosphate sodium," Estrogens, combinations with other drugs",G03CC05,GENITO URINARY SYSTEM AND SEX HORMONES,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(\c1ccc(cc1)OP(=O)(O)O)/CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5366,-10.5143,-10.5093,-10.4711,-10.222000000000001,-10.1811,3.5277,3.6182,5.0725,5.0822,5.0959,D07826_G03CC05,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.272,0,1.0,1.21587e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D07826
2864,D07826, Hexestrol diphosphate sodium, Estrogens,L02AA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(\c1ccc(cc1)OP(=O)(O)O)/CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5491,-10.5283,-10.495999999999999,-10.4738,-10.2811,-10.1629,3.509,5.0762,5.09,5.1016,5.102,D07826_L02AA01,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.272,0,1.0,1.21587e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D07826
2865,D07826, Hexestrol diphosphate sodium, Estrogens,L02AA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)(\c1ccc(cc1)OP(=O)(O)O)/CC,428.31,4.3604,106.384,153.14,26,4,8,NLORYLAYLIXTID-ISLYRVAYSA-N,C18H22O8P2,CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O,"InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+",-10.5167,-10.5033,-10.478,-10.4321,-10.3643,-10.2321,3.5029,3.5152,5.0503,5.0762,5.0861,D07826_L02AA04,008412200000000402000200000040020000034000205202000000804000000110004000018000000000001c000100000100020000000000000000022004000008000000020000000000020002000000008040400001100840081800000800080204000080400282000000001400000000020100000300200800000000002000,0000000000b001,130000000000000000000000000000000000000000000000000000000010200000000240402800,000000100084020010080000248a0368874c9bd41e,0,12,36,3,0,8,50,51,2.568,9.272,0,1.0,1.21587e-27,+,1.0257,-,1.0257,https://www.genome.jp/dbget-bin/www_bget?dr:D07826
2866,D01639, Tibolone (JAN/USAN/INN), Other estrogens,G03CX01,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)CC2=C(C1)[C@@H]1[C@@H]([C@@H](C2)C)[C@H]2[C@](CC1)([C@](CC2)(O)C#C)C,312.44599999999997,3.8826,93.4328,37.3,30,1,2,WZDGZWOAQTVYBX-XOINTXKNSA-N,C21H28O2,C#CC1(O)CCC2C1(C)CCC1C2C(C)CC2=C1CCC(=O)C2,"InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1",-3.3317,-2.9882,-0.9145,-0.7143,-0.6799,-0.6267,0.5716,0.6355,0.8161,0.836,0.8506,D01639_G03CX01,0000000000080224000200810000000000000080004040000000000000002000100000000080000100020000080000000100000200204002200000000000000008000900000400000000800008800204001000408000000000001000400000000204000040000000000000000020480000000000000080000000000100000100,1400004c00a001,3f4800000000010000000000000000000000000000000000000000000000000000004000400805,00000102000002000208008694892cc00944b5d21c,0,0,51,2,1,0,51,54,-9.468,0.725,6,0.0,0.725029945,-,1.6051,-,1.6051,https://www.genome.jp/dbget-bin/www_bget?dr:D01639
2867,D01159, Gestonorone caproate (JAN/USAN), Pregnen (4) derivatives,G03DA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]1(C(=O)C)(OC(=O)CCCCC)[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2)C,414.57800000000003,5.5795,119.62899999999999,60.44,42,0,4,XURCMZMFZXXQDJ-UKNJCJGYSA-N,C26H38O4,CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,"InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1",-4.4186,-3.3015,-3.0063,-2.8939,-1.4447,-1.4085,1.0203,1.2109,1.2969,1.367,1.4094,D01159_G03DA01,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080800040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ee48958b7d61c,0,0,67,4,0,7,68,71,-10.096,0.0,6,0.0,0.8873445390000001,-,2.7339,-,2.7339,https://www.genome.jp/dbget-bin/www_bget?dr:D01159
2868,D01159, Gestonorone caproate (JAN/USAN), Progestogens,L02AB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]1(C(=O)C)(OC(=O)CCCCC)[C@@]2([C@@H](CC1)[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2)C,414.57800000000003,5.5795,119.62899999999999,60.44,42,0,4,XURCMZMFZXXQDJ-UKNJCJGYSA-N,C26H38O4,CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,"InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1",-4.4554,-3.3037,-3.0111,-2.9834,-1.454,-1.3941,0.9823,1.341,1.349,1.3899,1.4403,D01159_L02AB03,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080800040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ee48958b7d61c,0,0,67,4,0,7,68,71,-10.096,0.0,6,0.0,0.8873445390000001,-,2.7339,-,2.7339,https://www.genome.jp/dbget-bin/www_bget?dr:D01159
2869,D08052, Hydroxyprogesterone (INN), Pregnen (4) derivatives,G03DA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)[C@](CC2)(C(=O)C)O)C,330.461,3.8384,95.2108,54.37,33,1,3,DBPWSSGDRRHUNT-CEGNMAFCSA-N,C21H30O3,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",-3.3076,-2.9818,-2.3422,-1.8059,-1.1415,-0.8856,0.5906,0.6364,0.9590000000000001,1.0018,1.4121,D08052_G03DA03,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208008694892cc08954b7d21c,0,0,54,3,0,1,54,57,-10.132,-0.011000000000000001,6,2.0,0.418208271,-,2.0339,-,2.0339,https://www.genome.jp/dbget-bin/www_bget?dr:D08052
2870,D00949, Hydroxyprogesterone caproate (JAN/USP/I, Pregnen (4) derivatives,G03DA03,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)(C)[C@](CC2)(C(=O)C)OC(=O)CCCCC)C,428.60400000000004,5.9696,124.176,60.44,44,0,4,DOMWKUIIPQCAJU-LJHIYBGHSA-N,C27H40O4,CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C(=O)C,"InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1",-4.5523,-3.3049,-3.0205,-2.9636,-1.4707,-1.2317,0.9316,1.0811,1.2987,1.3207,1.3674,D00949_G03DA03,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080800040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ee48958b7d61c,0,0,70,4,0,7,71,74,-10.113,0.003,6,1.0,0.909372211,-,2.8905,-,2.8905,https://www.genome.jp/dbget-bin/www_bget?dr:D00949
2871,D08053, Hydroxyprogesterone 17alfa-acetate, Pregnen (4) derivatives,G03DA03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)CC1)C)C)(OC(=O)C)C(=O)C,372.49800000000005,4.4092,104.948,60.44,36,0,4,VTHUYJIXSMGYOQ-DTILQVPTSA-N,C23H32O4,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,"InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23-/m1/s1",-4.4374,-3.2962,-2.9907,-2.9811,-1.611,-1.453,1.0619,1.3223,1.3996,1.4682,1.5294,D08053_G03DA03,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080000040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ce48958b7d21c,0,0,58,4,0,3,59,62,-10.128,-0.059000000000000004,6,1.0,0.570602477,-,2.4556,-,2.4556,https://www.genome.jp/dbget-bin/www_bget?dr:D08053
2872,D00066, Progesterone (JP17/USP/INN), Pregnen (4) derivatives,G03DA04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12[C@H]([C@H]3[C@](CC2)([C@H](CC3)C(=O)C)C)CCC2=CC(=O)CC[C@]12C,314.462,4.7235,94.01100000000001,34.14,32,0,2,RJKFOVLPORLFTN-LEKSSAKUSA-N,C21H30O2,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",-3.3024,-2.9869,-0.7975,-0.6518,-0.4821,-0.3851,0.3321,0.4005,0.4014,0.4753,0.49,D00066_G03DA04,0000000000000224000000010000000000000080004040000000000000002000100000000080000080020000000000000100000000200102200000000000000000000000000400000000000008800204001000400000000000801000000000010204000080000000000000000000000000000000000000000000000100000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892cc08950b5c21c,0,0,53,3,0,1,53,56,-10.116,-0.057,6,,0.560515463,-,1.8736,-,1.8736,https://www.genome.jp/dbget-bin/www_bget?dr:D00066
2873,D01217, Dydrogesterone (JP17/USP/INN), Pregnadien derivatives,G03DB01,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2[C@@](C1)([C@H]1[C@@H](C=C2)[C@H]2[C@](CC1)([C@H](CC2)C(=O)C)C)C,312.44599999999997,4.4995,93.537,34.14,30,0,2,JGMOKGBVKVMRFX-HQZYFCCVSA-N,C21H28O2,O=C1CCC2(C(=C1)C=CC1C2CCC2(C1CCC2C(=O)C)C)C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",-3.3062,-2.9871,-0.653,-0.5731,-0.4782,-0.4368,0.3804,0.4064,0.4105,0.4644,0.4747,D01217_G03DB01,0000000000000224000000010000000000000080004240000000000000002000120000000080000080020000000000000100000080200902200000000000000004000000000400000000002008800204001000400000000000801000000000010204000080000000010000000000004000000000000000000000040100000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040437805,00000002000002000208008014892cc08950b5c21c,0,0,50,4,0,1,51,54,-9.314,-0.5379999999999999,6,-2.0,0.37678802,-,1.7978,-,1.7978,https://www.genome.jp/dbget-bin/www_bget?dr:D01217
2874,D04885, Medrogestone (USAN/INN), Pregnadien derivatives,G03DB03,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)C)C)C)(C)C(=O)C,340.499,5.2797,102.891,34.14,34,0,2,HCFSGRMEEXUOSS-JXEXPEPMSA-N,C23H32O2,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(C)C(=O)C)C)C)C,"InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1",-3.3005,-2.9819,-0.6523,-0.5719,-0.4874,-0.4635,0.3914,0.4011,0.4272,0.4754,0.4843,D04885_G03DB03,0000000000000224000000010000000000000080004240000000000000002000120000000080000080020000000000000100000080200902200000000000000004000000000400000000002008800204001000400000000000801000000000010204000080000000010000000000004000000000000000000000040100000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040406805,00000002000002000208008014892cc08950b5c21c,0,0,56,4,0,1,57,60,-9.203,-0.62,6,1.0,0.603827417,-,2.3053,-,2.3053,https://www.genome.jp/dbget-bin/www_bget?dr:D04885
2875,D07222, Nomegestrol (USAN/INN), Pregnadien derivatives,G03DB04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@@H](CC[C@@]1(C(=O)C)O)[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)C(=C1)C)C,328.445,3.6144,94.9968,54.37,31,1,3,KZUIYQJTUIACIG-YBZCJVABSA-N,C21H28O3,O=C1CCC2C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C,"InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1",-3.3021,-2.9719,-2.3163,-1.8523,-1.5177,-1.1641,0.5154,0.5361,1.0045,1.1085,1.4282,D07222_G03DB04,000000000000022400000001000000000000008000424000000000000000200012000000008000018002000000000000010000008020490220000000000000000c000800000400000000802008800204005000400000000008801000000000010204000080000000010000000000084000000000000000000000040100000100,1400004c00a001,1f4800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208008694892cc08954b7d21c,0,0,51,4,0,1,52,55,-9.174,-0.672,6,0.0,0.31849604800000003,-,2.015,-,2.015,https://www.genome.jp/dbget-bin/www_bget?dr:D07222
2876,D08281, Nomegestrol acetate (USAN), Pregnadien derivatives,G03DB04,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@]12([C@@H](CC[C@@]1(C(=O)C)OC(=O)C)[C@H]1[C@H](CC2)[C@@H]2C(=CC(=O)CC2)C(=C1)C)C,370.48199999999997,4.1852,104.734,60.44,34,0,4,IIVBFTNIGYRNQY-YQLZSBIMSA-N,C23H30O4,CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)CCC12)C)C(=O)C,"InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1",-4.4468,-3.3035,-3.0017,-2.9764,-1.4531,-1.3029,0.9634,1.2238,1.3269,1.3647,1.4118,D08281_G03DB04,00000002000002240200000100020000000000800042400000000000000420001600000000800001800a000020000000010000008020490220000080000082000c10080000040000000080200880020400d000400000000008801000000000010204000080000000010000000000084000030100000100000000040100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014892ce48958b7d21c,0,0,55,5,0,3,57,60,-9.241,-0.7290000000000001,6,1.0,0.45418679700000003,-,2.476,-,2.476,https://www.genome.jp/dbget-bin/www_bget?dr:D08281
2877,D07223, Demegestone (INN), Pregnadien derivatives,G03DB05,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2C(=C3[C@@H](CC2)[C@H]2[C@@](CC3)(C)[C@](CC2)(C(=O)C)C)C1,312.44599999999997,4.7877,93.537,34.14,30,0,2,JWAHBTQSSMYISL-MHTWAQMVSA-N,C21H28O2,O=C1CCC2=C3CCC4(C(C3CCC2=C1)CCC4(C)C(=O)C)C,"InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1",-3.3031,-2.9826,-0.6523,-0.4811,-0.4674,-0.4413,0.4063,0.4087,0.4173,0.4531,0.4751,D07223_G03DB05,0000000000000224000000810000000000000080004240000000000000002000120000000080000080020000000000000100000280200902200000000000000004000000000400000000002008800204001000400000000000801000000000010204000080000000010000000000004000000000000000000000040100000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892cc08950b5c21c,0,0,50,4,0,1,51,54,-8.965,-0.625,4,-1.0,0.604012311,-,2.2113,-,2.2113,https://www.genome.jp/dbget-bin/www_bget?dr:D07223
2878,D07670, Chlormadinone (INN), Pregnadien derivatives,G03DB06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)Cl)C)C)(O)C(=O)C,362.89,4.1809,99.5328,54.37,30,1,3,VUHJZBBCZGVNDZ-TTYLFXKOSA-N,C21H27ClO3,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)Cl)C,"InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1",-3.3012,-2.9841,-2.3263,-1.8259999999999998,-1.1471,-0.9334,0.494,0.8075,0.9852,0.9968,1.4236,D07670_G03DB06,000882000000022c00000001010000000001008000424000008800080000200012000000008000038003000000080000010000008020490220000000000000000c000800000400000000802008800204005000400000000008801000000000010204000080000000010400000000184000000000000000000000040100000300,1400004c00a001,1f4800000000010008000000000000000001000000000000000000000000000000004040406805,000000020000020082084086d48d2cc0a954b7d21c,0,0,51,4,0,1,52,55,-9.469,-0.715,6,0.0,0.512649119,-,2.2007,-,2.2007,https://www.genome.jp/dbget-bin/www_bget?dr:D07670
2879,D01299, Chlormadinone acetate (JP17/USAN), Pregnadien derivatives,G03DB06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)C(=C1)Cl)C)C)(OC(=O)C)C(=O)C,404.92699999999996,4.7517,109.27,60.44,33,0,4,QMBJSIBWORFWQT-DFXBJWIESA-N,C23H29ClO4,O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1",-4.4706,-3.3028,-3.0028,-2.9828,-1.4535,-1.374,0.9879,1.2853,1.3197,1.3865,1.3943,D01299_G03DB06,000882020000022c0200000101020000000100800042400000880008000420001600000000800003800b000020080000010000008020490220000080000082000c10080000040000000080200880020400d000400000000008801000000000010204000080000000010400000000184000030100000100000000040100000300,14000000302005,1f0000000000010008009000000000000001000000000000000000000000000000004040406805,000000020000020082084080548d2ce4a958b7d21c,0,0,55,5,0,3,57,60,-9.427999999999999,-0.919,6,0.0,0.666994035,-,2.6994,-,2.6994,https://www.genome.jp/dbget-bin/www_bget?dr:D01299
2880,D08431, Promegestone (INN), Pregnadien derivatives,G03DB07,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@](CCC3=C4C(=CC(=O)CC4)CC[C@@H]13)(C)[C@](CC2)(C(=O)CC)C,326.472,5.1778,98.344,34.14,32,0,2,QFFCYTLOTYIJMR-XMGTWHOFSA-N,C22H30O2,CCC(=O)C1(C)CCC2C1(C)CCC1=C3CCC(=O)C=C3CCC21,"InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1",-3.3145,-2.9786,-0.6543,-0.4767,-0.46299999999999997,-0.4348,0.3975,0.4051,0.4173,0.4533,0.4752,D08431_G03DB07,0000000000000224000000810000000000000080004240000000000000002000120000000080000080020000000000000100000280200902200000000000000004000000000400000000002008800204001000400000000000801000000000010204000080000000010000000000004000000000000000000000040100000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002000208008014892ec08950b5c61c,0,0,53,4,0,2,54,57,-8.972999999999999,-0.627,4,0.0,0.710837305,-,2.2086,-,2.2086,https://www.genome.jp/dbget-bin/www_bget?dr:D08431
2881,D03799, Dienogest (JAN/USAN/INN), Pregnadien derivatives,G03DB08,GENITO URINARY SYSTEM AND SEX HORMONES,C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@@](CC2)(C)[C@](CC1)(O)CC#N,311.418,3.8371800000000005,89.7388,61.09,28,1,3,AZFLJNIPTRTECV-FUMNGEBKSA-N,C20H25NO2,N#CCC1(O)CCC2C1(C)CCC1=C3CCC(=O)C=C3CCC21,"InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1",-3.3067,-2.4673,-1.9192,-1.1959,-0.8184,-0.7377,0.5631,0.5714,0.5716,0.6978,0.815,D03799_G03DB08,800000000000022400000481000000000000008000424000000000000000200012000000008400018002001000000000010000028020490220000000000040000c000800000400000000802008800204009000400000000008801000000000010204000080000000010000000000084000040000000000000000040100000100,1400004c00a011,1f4800000000010000000000000000001001000000000000000000000000000000004040407805,00000002000102000208008695c92cc00944a5d61d,0,0,47,3,1,1,48,51,-9.068999999999999,-0.715,4,-1.0,0.48483982700000006,-,1.5627,-,1.5627,https://www.genome.jp/dbget-bin/www_bget?dr:D03799
2882,D01374, Allylestrenol (JAN/INN), Estren derivatives,G03DC01,GENITO URINARY SYSTEM AND SEX HORMONES,C1CC=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)CC=C)C,300.478,5.2564,94.5968,20.23,33,1,1,ATXHVCQZZJYMCF-XUDSTZEESA-N,C21H32O,C=CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12,"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",-1.9141,-0.6575,-0.6132,-0.5967,-0.5961,-0.5723,0.4094,0.8232,0.8533,0.8629,0.9304,D01374_G03DC01,0000000000000224000000010000000000000080004040000000000000002000100000000080000100000000000000000100000000204002200000000000000008000800040400000000800000000200000000400000000000001000000000000204000000000000000000000000080000000000000000000000000100000000,0000004c00a001,1f4800000000000000000000000000000000000000000000000000000000000000004000402004,00000002020002000208008694892cc00944a5941c,0,0,55,2,0,2,54,57,-9.395,1.3130000000000002,6,1.0,0.7591963409999999,-,1.6208,-,1.6208,https://www.genome.jp/dbget-bin/www_bget?dr:D01374
2883,D07939, Etynodiol (INN), Estren derivatives,G03DC06,GENITO URINARY SYSTEM AND SEX HORMONES,C1[C@@H](C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C#C)C)O,300.435,3.2843,89.5876,40.46,30,2,2,JYILPERKVHXLNF-QMNUTNMBSA-N,C20H28O2,C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(CCC12)O,"InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1",-3.3297,-2.8722,-1.1398,-0.9490000000000001,-0.6615,-0.5731,0.8296,0.8465,0.8722,1.1986,1.2238,D07939_G03DC06,0000000000080224000200010000000000000080004040000004000000102000100000000080000100000000080000000100000010204002200000000000000008000900000400000000800000000200000000408000000008001000000000000204000800000000000000000020480000000000000000000000000100000000,0000006c00a001,3f6800000000000000000000000000000000000000000000000000000000000000004000400004,00000102000002000208008694892cc00d44a5d01c,0,0,51,1,1,0,50,53,-9.445,1.157,7,0.0,0.5246213670000001,-,1.4083,-,1.4083,https://www.genome.jp/dbget-bin/www_bget?dr:D07939
2884,D01294, Ethynodiol diacetate (JAN/USP), Estren derivatives,G03DC06,GENITO URINARY SYSTEM AND SEX HORMONES,[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@H]2C(=C[C@H](CC2)OC(=O)C)CC1)C)(C#C)OC(=O)C,384.50800000000004,4.4259,109.06200000000001,52.6,36,0,4,ONKUMRGIYFNPJW-KIEAKMPYSA-N,C24H32O4,C#CC1(CCC2C1(C)CCC1C2CCC2=CC(CCC12)OC(=O)C)OC(=O)C,"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",-4.4225,-4.4223,-2.9932,-2.9909,-2.0478,-1.7882,0.8514,0.9789,1.5257,1.5312,1.6457,D01294_G03DC06,10008000000802240202000100020000080000800040400000050000001420001000000000800001000a0000280000000100000010204022200000000000820008100900000400000000800000800200008000408000004008001000000000000204000800000002000800000020580000030100000140000000000100000000,04000000302005,3f0000000000000000009000000000000000000000000000000000000000000000004000402805,00000102000002000208008014892ce48958b7d21c,0,0,59,3,1,4,60,63,-9.627,0.45899999999999996,7,,0.781955957,-,1.8511,-,1.8511,https://www.genome.jp/dbget-bin/www_bget?dr:D01294
2885,D01921, Estradiol - testosterone mixt, Androgens and estrogens,G03EA02,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2O)C,288.42400000000004,3.8792,85.3588,37.3,30,1,2,MUMGGOZAMZWBJJ-DYKIIFRCSA-N,C19H28O2,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",-3.299,-1.9351,-0.8368,-0.6535,-0.6516,-0.4409,0.4409,0.4771,0.5241,0.6675,0.6789,D01921_G03EA02,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040405805,00000002000002000208008694892cc00944b5d21c,0,0,50,2,0,0,49,52,-10.106,-0.019,6,,0.431693941,-,1.5628,-,1.5628,https://www.genome.jp/dbget-bin/www_bget?dr:D01921
2886,D01281, Cyclofenil (JAN/INN)," Ovulation stimulants, synthetic",G03GB01,GENITO URINARY SYSTEM AND SEX HORMONES,C1(=C(c2ccc(cc2)OC(=O)C)c2ccc(cc2)OC(=O)C)CCCCC1,364.434,5.3032,105.939,52.6,28,0,4,GVOUFPWUYJWQSK-UHFFFAOYSA-N,C23H24O4,CC(=O)Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(cc1)OC(=O)C,"InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3",-4.4296,-4.4272,-1.5841,-1.5831,-0.489,-0.4762,0.41700000000000004,0.5087,0.5109,0.5198,0.8149,D01281_G03GB01,00040010000000240200020080024000000000c000605200000000a0000000011000400021800010000a0008000000000100020000200002000000020004020008000800030401010000000002808200008000400000000840081800000000000004000180000482000000000010000000020100080300200800000100000004,04000000503005,130000000000000000009000000000000000000000000000000000000000000000000240402801,000000000000020000080000040021e4814897d21e,0,12,38,3,0,6,51,53,-9.236,0.008,0,,0.889689207,+,1.5098,-,1.5098,https://www.genome.jp/dbget-bin/www_bget?dr:D01281
2887,D07726, Clomifene (INN)," Ovulation stimulants, synthetic",G03GB02,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)/C(=C(\Cl)/c1ccccc1)/c1ccc(cc1)OCC[NH+](CC)CC,406.968,5.1455,125.77600000000001,13.67,30,1,1,GKIRPKYJQBWNGO-OCEACIFDSA-O,C26H29ClNO+,CC[NH+](CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/p+1/b26-25+",-6.0459,-4.5557,-4.553,-4.5225,-1.4837,-1.0794,1.4229,1.4526,1.5776,1.5837,1.6007,D07726_G03GB02,000602000000000402000600880240000100004000205200000000a800000000100040000100001280010418000000000000020010000000000000020004001008000800031000010000000002008000008000500001200841080800000040000004000980000482008000008010000002060100080100200800000000200004,0100000050f001,010042020400000008000000000000000000000000000000000000000000000000000240c02200,000000000000030000083240cc5c2b622942ddb51f,0,18,41,1,0,9,58,60,-10.794,-4.123,0,1.0,0.7428730729999999,+,0.7782,-,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D07726
2888,D00962, Clomiphene citrate (USP)," Ovulation stimulants, synthetic",G03GB02,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)/C(=C(\Cl)/c1ccccc1)/c1ccc(cc1)OCC[NH+](CC)CC,406.968,5.1455,125.77600000000001,13.67,30,1,1,GKIRPKYJQBWNGO-OCEACIFDSA-O,C26H29ClNO+,CC[NH+](CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/p+1/b26-25+",-6.0413,-4.5599,-4.5588,-4.5563,-1.4948,-1.0682,1.4393,1.4489,1.5768,1.5795,1.5968,D00962_G03GB02,000602000000000402000600880240000100004000205200000000a800000000100040000100001280010418000000000000020010000000000000020004001008000800031000010000000002008000008000500001200841080800000040000004000980000482008000008010000002060100080100200800000000200004,0100000050f001,010042020400000008000000000000000000000000000000000000000000000000000240c02200,000000000000030000083240cc5c2b622942ddb51f,0,18,41,1,0,9,58,60,-10.793,-4.122,0,1.0,0.742933154,+,0.7782,-,0.7782,https://www.genome.jp/dbget-bin/www_bget?dr:D00962
2889,D04021, Epimestrol (USAN/INN)," Ovulation stimulants, synthetic",G03GB03,GENITO URINARY SYSTEM AND SEX HORMONES,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]([C@@H](C2)O)O)C)OC,302.408,2.883,86.6576,49.69,29,2,3,UHQGCIIQUZBJAE-RRQVMCLOSA-N,C19H26O3,COc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,"InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1",-2.0386,-1.9278,-1.9104,-1.1369,-1.1337,-1.1183,0.6864,0.7274,0.8241,0.8261,0.8407,D04021_G03GB03,0004000000000200020002010202000000000000000012000100008000000000100040000040000500000008000100000102020000204802000000020002000008000800210000010000a022020000000080004000001008400808000008000001000000000004020200004000100800000201000a0100200800004300000000,0000002c50b001,0f2802000001000000000000000000000000000000000000000000000000000000004200402004,00000000000020008200009690892de00dc4b7d01e,0,6,45,0,0,1,48,51,-9.027999999999999,0.6829999999999999,6,,0.343693614,-,1.3531,-,1.3531,https://www.genome.jp/dbget-bin/www_bget?dr:D04021
2890,D07766, Cyproterone (INN)," Antiandrogens, plain",G03HA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12C(=O)C=C3[C@]([C@H]1C2)([C@@H]1[C@@H](C=C3Cl)[C@H]2[C@](CC1)([C@](CC2)(C(=O)C)O)C)C,374.901,4.0368,102.226,54.37,30,1,3,DUSHUSLJJMDGTE-ZJPMUUANSA-N,C22H27ClO3,O=C1C=C2C(=CC3C(C2(C2C1C2)C)CCC1(C3CCC1(O)C(=O)C)C)Cl,"InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1",-3.7297,-2.9805,-2.3292,-1.8178,-1.1492,-0.9917,0.557,0.6125,0.9895,1.0003,1.4232,D07766_G03HA01,000882000000022c00000001010000000001008000424000008800088000200012000000008000038003000000080000010000008020490220000000000000000c000800000400000000802108800204005000400000000008801000000000010204000080000000010400000000184000000000000000000000040100000300,1400004c00a001,1f4800000000010008000000000000000001000000000000000000000000000000004040406805,000024020000020082084086d48d2cc0a954b7d21c,0,0,53,4,0,1,53,57,-9.592,-0.711,8,0.0,0.492833495,+,4.3984,-,4.3984,https://www.genome.jp/dbget-bin/www_bget?dr:D07766
2891,D01368, Cyproterone acetate (JAN/USAN)," Antiandrogens, plain",G03HA01,GENITO URINARY SYSTEM AND SEX HORMONES,[C@H]12C(=O)C=C3[C@]([C@H]1C2)([C@@H]1[C@@H](C=C3Cl)[C@H]2[C@](CC1)([C@](CC2)(C(=O)C)OC(=O)C)C)C,416.93800000000005,4.6076,111.963,60.44,33,0,4,UWFYSQMTEOIJJG-FDTZYFLXSA-N,C24H29ClO4,CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1",-4.449,-3.7060000000000004,-2.9849,-2.9739999999999998,-1.4382,-1.1619,0.9472,0.9828,1.1562,1.2875,1.4106,D01368_G03HA01,000882020000022c0200000101020000000100800042400000880008800420001600000000800003800b000020080000010000008020490220000080000082000c10080000040000000080210880020400d000400000000008801000000000010204000080000000010400000000184000030100000100000000040100000300,14000000302005,1f0000000000010008009000000000000001000000000000000000000000000000004040406805,000024020000020082084080548d2ce4a958b7d21c,0,0,57,5,0,3,58,62,-9.577,-0.7090000000000001,8,1.0,0.617884755,+,4.9395,-,4.9395,https://www.genome.jp/dbget-bin/www_bget?dr:D01368
2892,D00289, Danazol (JP17/USP/INN), Antigonadotropins and similar agents,G03XA01,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(C=C3[C@](C1)([C@@H]1[C@@H](CC3)[C@H]3[C@](CC1)([C@](CC3)(O)C#C)C)C)onc2,337.455,4.221,98.8578,46.26,29,1,3,POZRVZJJTULAOH-LHZXLZLDSA-N,C22H27NO2,C#CC1(O)CCC2C1(C)CCC1C2CCC2=Cc3c(CC12C)cno3,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",-3.2703,-0.9625,-0.6118,-0.4671,-0.43799999999999994,-0.43,0.457,0.47700000000000004,0.5238,0.5509,0.8681,D00289_G03XA01,20000140000802241002020102001060010040882068408001000000000400019000080420c080010000000208209010010010000020420200440002000400000e000d10220408004010a0000000020020004040802000400021180000098200000400040020008000280210012149221802900202031a040000100100000810,0000004c00b001,3f480000000000000000000000000000000000000000b000000000000000000000004640401004,0000010200000201430804a6b589acc909c5b5d01f,0,5,49,1,1,0,52,56,-9.06,-0.512,6,0.0,0.7529347540000001,+,1.5647,-,1.5647,https://www.genome.jp/dbget-bin/www_bget?dr:D00289
2893,D04317, Gestrinone (USAN/INN), Antigonadotropins and similar agents,G03XA02,GENITO URINARY SYSTEM AND SEX HORMONES,C1C(=O)C=C2C(=C3[C@@H](CC2)[C@H]2[C@](C=C3)([C@](CC2)(O)C#C)CC)C1,308.414,3.7228,92.4848,37.3,26,1,2,BJJXHLWLUDYTGC-ANULTFPQSA-N,C21H24O2,CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)C#C,"InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1",-3.3087,-3.3063,-0.9329,-0.7441,-0.6541,-0.5721,0.5109,0.5255,0.6082,0.831,0.8358,D04317_G03XA02,000000040008822400020081000000000000008000424000000000000000200012000000008000018002000008000000010000028020490020000000000000000c000900040400000000802008800204001000408002000008801000000000010204080080000000010000000020485000000000000800000000040100040100,1400004c00a001,3f4800000000010000000000000000000001000000000000000000000000000000004040437805,000001020000020002080086948922c00944a5d61c,0,0,45,4,1,1,47,50,-8.474,-0.983,4,2.0,0.595594466,-,1.5797,-,1.5797,https://www.genome.jp/dbget-bin/www_bget?dr:D04317
2894,D00585, Mifepristone (USAN/INN), Progesterone receptor modulators,G03XB01,GENITO URINARY SYSTEM AND SEX HORMONES,C12=C3C(=CC(=O)CC3)CC[C@H]1[C@H]1[C@](C[C@@H]2c2ccc(cc2)N(C)C)([C@@](CC1)(C#CC)O)C,429.594,5.4065,131.653,40.54,38,1,3,VKHAHZOOUSRJNA-GCNJZUOMSA-N,C29H35NO2,CC#CC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",-3.3145,-3.3074,-3.049,-3.0385,-0.9574,-0.8585,0.747,0.7971,0.8397,0.9052,1.0052,D00585_G03XB01,000400000408022402020681028000008000008000424000000000800000200012004000008800218002000808010040010800028020690a20001002000004000c000900420400000080a02008800204089000408400300848889800000800010204000081002000010080000020484000020140020100000008040102020100,1400004c00b021,3f4840000100010000000000000000000001000000000000000000000000000000004240407805,0000010200000220020a309694892cc25954bdfa1f,0,6,61,3,1,2,67,71,-8.676,-0.542,5,,0.945161343,-,2.3448,-,2.3448,https://www.genome.jp/dbget-bin/www_bget?dr:D00585
2895,D08465, Raloxifene (INN), Selective estrogen receptor modulators,G03XC01,GENITO URINARY SYSTEM AND SEX HORMONES,c1(C(=O)c2c(c3ccc(cc3)O)sc3c2ccc(c3)O)ccc(cc1)OCC[NH+]1CCCCC1,474.591,6.2273,142.175,99.44,32,3,5,GZUITABIAKMVPG-UHFFFAOYSA-O,C28H28NO4S+,Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCC[NH+]1CCCCC1)c1ccc(cc1)O,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2/p+1",-6.0215,-4.5954,-4.5608,-4.5195,-3.8117,-1.4885,1.4467,1.4574,1.5616,1.5712,1.5739,D08465_G03XC01,000ec1000000008002000600a84200024506005000001300100000a4024080021400500090400032880a865800000000014202000000000408000082000002100800080081310821810020023a808000808201d000022008c10888000000400008001029800404020080800080101800020601800b091020090800110020011c,1500000452f001,02004202040001000000000000000000400100000001c000000000000000000000004640c02200,00000000080001200004b7c69a51a1e30dcfef771f,0,22,43,1,0,7,62,66,-10.116,-4.125,0,1.0,0.8514143820000001,-,2.0396,-,2.0396,https://www.genome.jp/dbget-bin/www_bget?dr:D08465
2896,D02217, Raloxifene hydrochloride (JAN/USP), Selective estrogen receptor modulators,G03XC01,GENITO URINARY SYSTEM AND SEX HORMONES,c1(C(=O)c2c(c3ccc(cc3)O)sc3c2ccc(c3)O)ccc(cc1)OCC[NH+]1CCCCC1,474.591,6.2273,142.175,99.44,32,3,5,GZUITABIAKMVPG-UHFFFAOYSA-O,C28H28NO4S+,Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCC[NH+]1CCCCC1)c1ccc(cc1)O,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2/p+1",-6.0439,-4.5883,-4.5581,-4.5274,-3.7646,-1.4943,1.4389,1.4513,1.5647,1.5763,1.5835,D02217_G03XC01,000ec1000000008002000600a84200024506005000001300100000a4024080021400500090400032880a865800000000014202000000000408000082000002100800080081310821810020023a808000808201d000022008c10888000000400008001029800404020080800080101800020601800b091020090800110020011c,1500000452f001,02004202040001000000000000000000400100000001c000000000000000000000004640c02200,00000000080001200004b7c69a51a1e30dcfef771f,0,22,43,1,0,7,62,66,-10.116,-4.127,0,-1.0,0.851303875,-,2.0396,-,2.0396,https://www.genome.jp/dbget-bin/www_bget?dr:D02217
2897,D03062, Bazedoxifene acetate (JAN/USAN), Selective estrogen receptor modulators,G03XC02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccc2c(c1)c(c(n2Cc1ccc(cc1)OCC[NH+]1CCCCCC1)c1ccc(cc1)O)C)O,471.611,6.4831,147.936,59.06,38,3,4,UCJGJABZCDBEDK-UHFFFAOYSA-O,C30H35N2O3+,Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCC[NH+]1CCCCCC1)c1ccc(cc1)O,"InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3/p+1",-6.0459,-4.604,-4.5741,-4.5247,-1.5043,-1.0791,1.4388,1.4403,1.5822,1.5881,1.5947,D03062_G03XC02,20220000000a040048040600044200044100001000002208000000c00020040011005081000080321880041800001040030242800020280404208082000002100c000c0241100a2100806000360880000080014004002000c008001000001080001008200000040600000000a01004201206011008011020090a000102600004,0100000452f001,030042020400000000000000000000000000000000018800000000000000000000004600c02200,0000040000000120010436c69859a1e30de7effd1f,0,22,52,0,0,7,70,74,-9.818999999999999,-4.0569999999999995,0,-1.0,0.7787355779999999,+,2.2733,-,2.2733,https://www.genome.jp/dbget-bin/www_bget?dr:D03062
2898,D04672, Lasofoxifene tartrate (JAN/USAN), Selective estrogen receptor modulators,G03XC03,GENITO URINARY SYSTEM AND SEX HORMONES,C1c2c([C@H]([C@H](C1)c1ccccc1)c1ccc(cc1)OCC[NH+]1CCCC1)ccc(c2)O,414.559,5.8808,131.058,33.9,34,2,2,GXESHMAMLJKROZ-IAPPQJPRSA-O,C28H32NO2+,Oc1ccc2c(c1)CCC(C2c1ccc(cc1)OCC[NH+]1CCCC1)c1ccccc1,"InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/p+1/t26-,28+/m1/s1",-6.0179,-4.6129,-4.6047,-4.567,-1.5316,-1.0838,1.4408,1.5333,1.5564,1.5689,1.5857,D04672_G03XC03,000700000000000002000600820200020100005000001200010000a000000000100040000040401200001418000100000102020000201000000000020002001008000a002110080100002000020080000080004000003008c00808000008000001000021000404021200004080100000020601000a0110200800004300200004,0100000452f001,060042020400000000000000000000000000000000010000000000000000000000004600c02204,0000000000000120000436c6985121e30dc7ed751f,0,18,49,0,0,6,63,67,-10.689,-4.041,2,0.0,0.648894906,+,1.9296,-,1.9296,https://www.genome.jp/dbget-bin/www_bget?dr:D04672
2899,D08301, Ormeloxifene (INN), Selective estrogen receptor modulators,G03XC04,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccc2c(c1)OC([C@@H]([C@H]2c1ccc(cc1)OCC[NH+]1CCCC1)c1ccccc1)(C)C)OC,458.61199999999997,6.4086,141.898,32.13,39,1,3,XZEUAXYWNKYKPL-URLMMPGGSA-O,C30H36NO3+,COc1ccc2c(c1)OC(C(C2c1ccc(cc1)OCC[NH+]1CCCC1)c1ccccc1)(C)C,"InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/p+1/t28-,29+/m0/s1",-6.0175,-4.5782,-4.5721,-4.572,-1.5241,-1.0901,1.4416,1.5022,1.5537,1.5574,1.584,D08301_G03XC04,000700000000000202400600800301000100005000001200000000e00000000010044002400000130000141800010000010a02000000400404800022000000580820080001100c1100002000020080004080004000003008c008080000080000400200210000044210000082c0100000020701000a0110201800000101300004,0100000050f001,070042020400000000000000000000000000000000000000000000000000000000004600c02204,0000000000000121020636d79ad1a1e309d3fff51f,0,18,56,0,0,7,70,74,-10.645999999999999,-3.9810000000000003,2,1.0,0.822553396,+,1.9533,-,1.9533,https://www.genome.jp/dbget-bin/www_bget?dr:D08301
2900,D08958, Ospemifene (INN/USAN/BAN), Selective estrogen receptor modulators,G03XC05,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)/C(=C(\CCCl)/c1ccccc1)/c1ccc(cc1)OCCO,378.89099999999996,5.6457,113.17,29.46,25,1,2,LUMKNAVTFCDUIE-VHXPQNKSSA-N,C24H23ClO2,ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCO)c1ccccc1,"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-",-1.9228,-1.1244,-1.018,-0.8519,-0.6793,-0.6085,0.3346,0.3784,0.6306,0.738,0.8319,D08958_G03XC05,000482000000000402000200800240000800804000205200000000a800000001100040088180000400010018000100000100020000000000000000020004000008000800030020010000000002008000008001400005100840081800000800000084000180000482000000000010000000020100080300200800000000000204,0000001c50b001,921802000000000000000000000000000000000000000000000000000000000000000240402000,000000000000020080080200c4102160284685551e,0,18,33,1,0,8,50,52,-8.979,-0.21600000000000003,0,1.0,0.9761326309999999,-,0.8251,-,0.8251,https://www.genome.jp/dbget-bin/www_bget?dr:D08958
2901,D07224, Emepronium bromide (INN), Urinary antispasmodics,G04BD01,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)C(c1ccccc1)C[C@H]([N+](C)(CC)C)C,282.443,4.6934,91.9184,0.0,28,0,0,JEJBJBKVPOWOQK-QGZVFWFLSA-N,C20H28N+,CC[N+](C(CC(c1ccccc1)c1ccccc1)C)(C)C,"InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1/t17-/m1/s1",-4.77,-4.7668,-4.7077,-4.5949,-1.0396,-0.5135,1.3878,1.4035,1.4167,1.4555,1.4712,D07224_G04BD01,00060000000000000a000600800000000000005000000000000000a0000000001000400000000000000000180001000001020000000000000000000200000000000004000000000000002000020000000080004000003008c0080800000800000000002100000000000000000000000000060100020110000002000100000000,0100000000f001,070040040400000000000000000000000000000000000000000000000000000000000200c02204,00000020000001000002301008c80e02011019ad17,0,12,38,0,0,6,49,50,-12.082,-3.872,1,1.0,0.078023329,+,0.7753,-,0.7753,https://www.genome.jp/dbget-bin/www_bget?dr:D07224
2902,D07961, Flavoxate (INN), Urinary antispasmodics,G04BD02,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1C(=O)OCC[NH+]1CCCCC1)oc(c(c2=O)C)c1ccccc1,392.468,4.5632,118.667,60.95,29,1,4,SPIUTQOUKAMGCX-UHFFFAOYSA-O,C24H26NO4+,O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCC[NH+]1CCCCC1,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3/p+1",-6.0244,-4.5951,-4.5828,-4.5334,-4.2201,-3.145,1.5437,1.5662,1.5749,1.5789,1.8996,D07961_G04BD02,00020000400000c00000860100620000410090183400090404600080000400081400580000400012280a121a0000240001220000000200060008000200400610080208422810082088003100038400400084095031102800c0080040004100020002806100000100204100809302000000060180000318000108208100204000,0500000030f005,03004002040000000000900000000000400100000000a100000000000000000000004640c02200,0000000000000121000432479a51a1e789cbeff71f,0,17,39,2,0,6,55,58,-11.263,-4.271,0,-2.0,0.389192611,+,1.55,-,1.55,https://www.genome.jp/dbget-bin/www_bget?dr:D07961
2903,D00718, Flavoxate hydrochloride (JP17/USAN), Urinary antispasmodics,G04BD02,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(c(=O)c(c(o2)c2ccccc2)C)cccc1C(=O)OCC[NH+]1CCCCC1,392.468,4.5632,118.667,60.95,29,1,4,SPIUTQOUKAMGCX-UHFFFAOYSA-O,C24H26NO4+,O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCC[NH+]1CCCCC1,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3/p+1",-6.0094,-4.5934,-4.5793,-4.5695,-4.3023,-3.1481,1.5656,1.577,1.6012,1.6579,1.8681,D00718_G04BD02,00020000400000c00000860100620000410090183400090404600080000400081400580000400012280a121a0000240001220000000200060008000200400610080208422810082088003100038400400084095031102800c0080040004100020002806100000100204100809302000000060180000318000108208100204000,0500000030f005,03004002040000000000900000000000400100000000a100000000000000000000004640c02200,0000000000000121000432479a51a1e789cbeff71f,0,17,39,2,0,6,55,58,-11.255999999999998,-4.27,0,,0.44370809200000005,+,1.55,-,1.55,https://www.genome.jp/dbget-bin/www_bget?dr:D00718
2904,D07225, Meladrazine (INN/BAN), Urinary antispasmodics,G04BD03,GENITO URINARY SYSTEM AND SEX HORMONES,[nH]1c([nH]c([nH]c1=[NH]N)N(CC)CC)N(CC)CC,256.371,1.6144,76.2402,103.72,30,5,3,RKHCOTSOYVZTCP-UHFFFAOYSA-N,C11H26N7,CCN(c1[nH]c([nH]c(=[NH]N)[nH]1)N(CC)CC)CC,"InChI=1S/C11H26N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h13-16H,5-8,12H2,1-4H3",-11.0364,-10.9666,-8.7728,-8.4586,-8.3894,-7.7001,3.9822,4.0186,4.4207,5.6366,7.09,D07225_G04BD03,000200000110100000000c0010000000000000200000004000200000000000000000000000000000000003000001000000000000000c00000000000000000000000020000000000000000000020000000000004002002006620000000000000000200002040000000000000000000000000c0000000000000000000000000000,0000000000a001,010000000000000000000000000000000040000000000000000000000000000000000400402804,000000010004380018f038220a02ca0b143358ad15,0,0,45,1,0,6,46,46,-27.535,-24.146,0,0.0,1.86494e-15,+,1.1748,-,1.1748,https://www.genome.jp/dbget-bin/www_bget?dr:D07225
2905,D00465, Oxybutynin (USAN/INN), Urinary antispasmodics,G04BD04,GENITO URINARY SYSTEM AND SEX HORMONES,C(#CC[NH+](CC)CC)COC(=O)[C@@](c1ccccc1)(C1CCCCC1)O,358.494,1.9258,106.045,50.97,35,2,3,XIQVNETUBQGFHX-JOCHJYFZSA-O,C22H32NO3+,CC[NH+](CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/p+1/t22-/m1/s1",-6.3956,-6.0484,-4.5696,-4.5601,-4.3941,-3.2932,1.9362,2.0034,2.0271,2.1002,2.2391,D00465_G04BD04,02060000042002400200060002020000280000000000000000010080000400001000400800000905200a0008200101000100080000204006000000020000920808100980000016440000a0000a80000500d000400004300840080800800900006000100000000000004000004020480000070100020142000000000100020100,0500004c30f005,274840020400000000009000000000000000000000000000000000000000000000000200c02204,00000100000001008200320608902aa60506dff71f,0,6,51,1,1,8,58,59,-11.755999999999998,-4.272,1,,0.088960148,-,0.7478,-,0.7478,https://www.genome.jp/dbget-bin/www_bget?dr:D00465
2906,D00722, Oxybutynin chloride (USP), Urinary antispasmodics,G04BD04,GENITO URINARY SYSTEM AND SEX HORMONES,C(#CC[NH+](CC)CC)COC(=O)[C@@](c1ccccc1)(C1CCCCC1)O,358.494,1.9258,106.045,50.97,35,2,3,XIQVNETUBQGFHX-JOCHJYFZSA-O,C22H32NO3+,CC[NH+](CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/p+1/t22-/m1/s1",-6.3803,-6.0488,-4.5876,-4.5673,-4.4008,-3.3099,1.8813,1.9152,1.9763,1.9825,2.2552,D00722_G04BD04,02060000042002400200060002020000280000000000000000010080000400001000400800000905200a0008200101000100080000204006000000020000920808100980000016440000a0000a80000500d000400004300840080800800900006000100000000000004000004020480000070100020142000000000100020100,0500004c30f005,274840020400000000009000000000000000000000000000000000000000000000000200c02204,00000100000001008200320608902aa60506dff71f,0,6,51,1,1,8,58,59,-11.758,-4.266,1,-2.0,0.08972443599999999,-,0.7478,-,0.7478,https://www.genome.jp/dbget-bin/www_bget?dr:D00722
2907,D01873, Terodiline hydrochloride (JAN/USAN), Urinary antispasmodics,G04BD05,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)C(c1ccccc1)C[C@H]([NH2+]C(C)(C)C)C,282.443,3.9589999999999996,93.6414,16.61,28,1,0,UISARWKNNNHPGI-MRXNPFEDSA-O,C20H28N+,CC([NH2+]C(C)(C)C)CC(c1ccccc1)c1ccccc1,"InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3/p+1/t16-/m1/s1",-5.7016,-5.6966,-4.2987,-4.2895,-0.9578,-0.4638,1.354,1.5587,1.5589,1.5761,1.5859,D01873_G04BD05,00060000000000000a000600800000000000005000000000000000a0000000001000400000000000000000180001000001020000000000000000000200000000000004000000000000002000020000000080004000003008c0080800000800000000002100000000000000000000000000060100020110000002000100000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000202080080c80400001051ac17,0,12,38,0,0,6,49,50,-12.215,-3.7230000000000003,1,,0.024790153,+,1.0432,-,1.0432,https://www.genome.jp/dbget-bin/www_bget?dr:D01873
2908,D08441, Propiverine (INN), Urinary antispasmodics,G04BD06,GENITO URINARY SYSTEM AND SEX HORMONES,C1[N@@H+](CC[C@@H](C1)OC(=O)C(c1ccccc1)(c1ccccc1)OCCC)C,368.48900000000003,4.1463,111.87799999999999,39.97,33,1,3,QPCVHQBVMYCJOM-UHFFFAOYSA-O,C23H30NO3+,CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CC[NH+](CC1)C,"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3/p+1",-6.032,-4.6178,-4.6159,-4.6051,-4.3421,-3.4554,1.5517,1.5929,1.5933,1.6019999999999999,1.639,D08441_G04BD06,000600020020004006000600800200002000005000000800002000a0010400001400500880000005200a001820000100010200000000800400000082000022080880080a00000440000009000280000100d0015000002008c0080800002100004000000100000000004000005000000000060100000110000000000140000000,0500000030f005,038040020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000000100820432148bd02ee70943dff71f,0,12,46,1,0,8,57,59,-12.035,-4.065,0,0.0,0.076791033,+,0.9396,-,0.9396,https://www.genome.jp/dbget-bin/www_bget?dr:D08441
2909,D01007, Propiverine hydrochloride (JP17), Urinary antispasmodics,G04BD06,GENITO URINARY SYSTEM AND SEX HORMONES,C1[N@@H+](CC[C@@H](C1)OC(=O)C(c1ccccc1)(c1ccccc1)OCCC)C,368.48900000000003,4.1463,111.87799999999999,39.97,33,1,3,QPCVHQBVMYCJOM-UHFFFAOYSA-O,C23H30NO3+,CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CC[NH+](CC1)C,"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3/p+1",-6.0326,-4.6178,-4.6107,-4.5976,-4.3889,-3.4613,1.5615,1.5947,1.5948,1.6028,1.98,D01007_G04BD06,000600020020004006000600800200002000005000000800002000a0010400001400500880000005200a001820000100010200000000800400000082000022080880080a00000440000009000280000100d0015000002008c0080800002100004000000100000000004000005000000000060100000110000000000140000000,0500000030f005,038040020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000000100820432148bd02ee70943dff71f,0,12,46,1,0,8,57,59,-12.035,-4.064,0,2.0,0.07678594400000001,+,0.9396,-,0.9396,https://www.genome.jp/dbget-bin/www_bget?dr:D01007
2910,D00646, Tolterodine (USAN/INN), Urinary antispasmodics,G04BD07,GENITO URINARY SYSTEM AND SEX HORMONES,C([NH+](CC[C@H](c1cc(C)ccc1O)c1ccccc1)C(C)C)(C)C,326.496,3.9243,105.494,24.67,33,2,1,OOGJQPCLVADCPB-FQEVSTJZSA-O,C22H32NO+,Cc1ccc(c(c1)C(c1ccccc1)CC[NH+](C(C)C)C(C)C)O,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/p+1/t20-/m0/s1",-6.0434,-4.5336,-4.5058,-4.504,-1.1791,-0.8828,1.3869999999999998,1.3988,1.4064,1.6058,1.61,D00646_G04BD07,00060000000000020a800600800000000000005000000200000000a000000000100040000000000100000018000100000102020000000000000000020000000008200c000000000000000000020000004082004000003008c0080800000800000002002100000002000000000100000000060100000110200802000000000000,0100000402f001,070040020400000000000000000000000000000000010000000000000000000000000200c02204,0000000000000100000212048848294204d4fdbd1f,0,12,45,0,0,7,56,57,-11.359000000000002,-3.852,1,,0.094548285,-,0.7176,-,0.7176,https://www.genome.jp/dbget-bin/www_bget?dr:D00646
2911,D01148, Tolterodine tartrate (JAN/USAN), Urinary antispasmodics,G04BD07,GENITO URINARY SYSTEM AND SEX HORMONES,C([NH+](CC[C@H](c1cc(C)ccc1O)c1ccccc1)C(C)C)(C)C,326.496,3.9243,105.494,24.67,33,2,1,OOGJQPCLVADCPB-FQEVSTJZSA-O,C22H32NO+,Cc1ccc(c(c1)C(c1ccccc1)CC[NH+](C(C)C)C(C)C)O,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/p+1/t20-/m0/s1",-6.0351,-4.4905,-4.4726,-4.4549,-1.3351,-1.3104,1.4008,1.4076,1.58,1.5803,1.5822,D01148_G04BD07,00060000000000020a800600800000000000005000000200000000a000000000100040000000000100000018000100000102020000000000000000020000000008200c000000000000000000020000004082004000003008c0080800000800000002002100000002000000000100000000060100000110200802000000000000,0100000402f001,070040020400000000000000000000000000000000010000000000000000000000000200c02204,0000000000000100000212048848294204d4fdbd1f,0,12,45,0,0,7,56,57,-11.355,-3.8539999999999996,1,,0.09453848,-,0.7176,-,0.7176,https://www.genome.jp/dbget-bin/www_bget?dr:D01148
2912,D08522, Solifenacin (INN), Urinary antispasmodics,G04BD08,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12CC[N@@H+](C[C@H]1OC(=O)N1CCc3c([C@@H]1c1ccccc1)cccc3)CC2,363.473,3.9549,114.041,33.98,30,1,3,FBOUYBDGKBSUES-YADHBBJMSA-O,C23H27N2O2+,O=C(N1CCc2c(C1c1ccccc1)cccc2)OC1C[NH+]2CCC1CC2,"InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/p+1/t21-,22+/m1/s1",-6.0386,-5.4066,-5.2118,-4.5899,-4.5831,-4.5491,1.7159,1.8107,1.8153,1.9003,2.3339,D08522_G04BD08,000e0000000004a00300060080030006010020d000020000021008e0000000001c00508100400013108c2018000002800102000000085000200008020002061008001a088014080000032000828800000080815000202008c008080080024000051000a30004000000800000a000100000070190000310000018c00108000000,0100000030f001,06004002040000000000000000000000004000010000000000000000000000000000c600c02204,0000400000000120000432449a63b0e709e3ed7b1f,0,12,45,1,0,4,54,58,-11.527999999999999,-3.858,2,0.0,0.061621178,-,1.3734,-,1.3734,https://www.genome.jp/dbget-bin/www_bget?dr:D08522
2913,D01269, Solifenacin succinate (JAN/USAN/INN), Urinary antispasmodics,G04BD08,GENITO URINARY SYSTEM AND SEX HORMONES,[C@@H]12CC[N@@H+](C[C@H]1OC(=O)N1CCc3c([C@@H]1c1ccccc1)cccc3)CC2,363.473,3.9549,114.041,33.98,30,1,3,FBOUYBDGKBSUES-YADHBBJMSA-O,C23H27N2O2+,O=C(N1CCc2c(C1c1ccccc1)cccc2)OC1C[NH+]2CCC1CC2,"InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/p+1/t21-,22+/m1/s1",-6.0387,-5.4233,-5.2126,-4.5876,-4.5794,-4.547,1.7401,1.7985,1.8179,1.8987,2.3468,D01269_G04BD08,000e0000000004a00300060080030006010020d000020000021008e0000000001c00508100400013108c2018000002800102000000085000200008020002061008001a088014080000032000828800000080815000202008c008080080024000051000a30004000000800000a000100000070190000310000018c00108000000,0100000030f001,06004002040000000000000000000000004000010000000000000000000000000000c600c02204,0000400000000120000432449a63b0e709e3ed7b1f,0,12,45,1,0,4,54,58,-11.534,-3.859,2,,0.061615389000000007,-,1.3734,-,1.3734,https://www.genome.jp/dbget-bin/www_bget?dr:D01269
2914,D01103, Trospium chloride (JAN/USAN/INN), Urinary antispasmodics,G04BD09,GENITO URINARY SYSTEM AND SEX HORMONES,[N+]12(CCCC1)[C@@H]1C[C@H](OC(=O)C(c3ccccc3)(c3ccccc3)O)C[C@H]2CC1,392.51099999999997,3.7285,117.435,46.53,33,1,3,OYYDSUSKLWTMMQ-NUNAXRQHSA-N,C25H30NO3+,O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23-",-4.7613,-4.7506,-4.7327,-4.692,-4.4093,-4.2694,1.5552,1.5591,1.6388,1.8572,2.2436,D01103_G04BD09,002600000020024006000600800200002010005000000000000000a0010400001000500880000005300a001820000100010200000020c004000000020000a2080890080000000440000088000280000100d0015000002008c0080800000100004000002100000000104000004000080000070100000110000000000140000000,0500004c30f005,024840040400000000009000000000000000000000000000000000000000000000006600c02204,0000042000000100820034800bc120e709478f7b1f,0,12,50,1,0,5,59,63,-11.925999999999998,-3.662,2,1.0,,+,1.8113,-,1.8113,https://www.genome.jp/dbget-bin/www_bget?dr:D01103
2915,D03654, Darifenacin (USAN/INN), Urinary antispasmodics,G04BD10,GENITO URINARY SYSTEM AND SEX HORMONES,C1C[C@H](C[N@@H+]1CCc1cc2c(cc1)OCC2)C(c1ccccc1)(c1ccccc1)C(=O)N,427.55800000000005,4.8099,131.825,56.76,34,2,3,HXGBXQDTNZMWGS-RUZDIDTESA-O,C28H31N2O2+,NC(=O)C(C1CC[NH+](C1)CCc1ccc2c(c1)CCO2)(c1ccccc1)c1ccccc1,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/p+1/t25-/m1/s1",-6.0198,-4.7227,-4.6379,-4.6024,-4.5748,-4.2573,1.5844,1.5854,1.7817,1.8532,1.9888,D03654_G04BD10,00268000002000000a000600800300040400805000001200000000a000000000100050810000000120062018000100000102020000000004000000020000000818200c000100044100002000128080050090034000003008c00808008008300040020021000004021000000241100000000601000a0110200802000100100304,0500000050f001,0e0042020400000000008000060000000000000000000000000000000000000000004600c02a04,000000000000010102043e8e98f1b1830da3cd7f1f,0,18,48,1,0,7,63,67,-11.472000000000001,-3.373,2,1.0,0.808206975,+,1.9042,-,1.9042,https://www.genome.jp/dbget-bin/www_bget?dr:D03654
2916,D01699, Darifenacin hydrobromide (JAN/USAN), Urinary antispasmodics,G04BD10,GENITO URINARY SYSTEM AND SEX HORMONES,C1C[C@H](C[N@@H+]1CCc1cc2c(cc1)OCC2)C(c1ccccc1)(c1ccccc1)C(=O)N,427.55800000000005,4.8099,131.825,56.76,34,2,3,HXGBXQDTNZMWGS-RUZDIDTESA-O,C28H31N2O2+,NC(=O)C(C1CC[NH+](C1)CCc1ccc2c(c1)CCO2)(c1ccccc1)c1ccccc1,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/p+1/t25-/m1/s1",-5.9372,-4.8323,-4.6562,-4.628,-4.6241,-4.1945,1.5837,1.5967,1.8136,2.3831,2.947,D01699_G04BD10,00268000002000000a000600800300040400805000001200000000a000000000100050810000000120062018000100000102020000000004000000020000000818200c000100044100002000128080050090034000003008c00808008008300040020021000004021000000241100000000601000a0110200802000100100304,0500000050f001,0e0042020400000000008000060000000000000000000000000000000000000000004600c02a04,000000000000010102043e8e98f1b1830da3cd7f1f,0,18,48,1,0,7,63,67,-11.472000000000001,-3.373,2,,0.8082514409999999,+,1.9042,-,1.9042,https://www.genome.jp/dbget-bin/www_bget?dr:D01699
2917,D07226, Fesoterodine (INN), Urinary antispasmodics,G04BD11,GENITO URINARY SYSTEM AND SEX HORMONES,C([NH+](CC[C@@H](c1cc(CO)ccc1OC(=O)C(C)C)c1ccccc1)C(C)C)(C)C,412.585,3.964,125.745,50.97,41,2,3,DCCSDBARQIPTGU-HSZRJFAPSA-O,C26H38NO3+,OCc1ccc(c(c1)C(c1ccccc1)CC[NH+](C(C)C)C(C)C)OC(=O)C(C)C,"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/p+1/t23-/m1/s1",-6.0352,-4.5207,-4.4646,-4.426,-4.3312,-2.9183,1.391,1.4101,1.4247,1.5599,1.56,D07226_G04BD11,00060010000000420a800600800300000100005000004200000000e0000000001004400200000011200a0018000100000102124000000000008000220000020008200c000100010100000000028080004092004000003028c0080800000900000002002100000402004000820110000000060100080110200802000000000004,0500001c50f005,071840020400000000009000000000000000000000000000000000000000000000000200c02a05,0000000000000100000212008858296604d6ffff1f,0,12,56,1,0,11,68,69,-12.115,-3.685,1,1.0,0.35412907600000004,+,1.1113,-,1.1113,https://www.genome.jp/dbget-bin/www_bget?dr:D07226
2918,D08923, Fesoterodine fumarate (JAN/USP), Urinary antispasmodics,G04BD11,GENITO URINARY SYSTEM AND SEX HORMONES,C([NH+](CC[C@@H](c1cc(CO)ccc1OC(=O)C(C)C)c1ccccc1)C(C)C)(C)C,412.585,3.964,125.745,50.97,41,2,3,DCCSDBARQIPTGU-HSZRJFAPSA-O,C26H38NO3+,OCc1ccc(c(c1)C(c1ccccc1)CC[NH+](C(C)C)C(C)C)OC(=O)C(C)C,"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/p+1/t23-/m1/s1",-6.0365,-4.4513,-4.4430000000000005,-4.3695,-4.303999999999999,-2.9162,1.3774,1.3972,1.4003,1.5519999999999998,1.5525,D08923_G04BD11,00060010000000420a800600800300000100005000004200000000e0000000001004400200000011200a0018000100000102124000000000008000220000020008200c000100010100000000028080004092004000003028c0080800000900000002002100000402004000820110000000060100080110200802000000000004,0500001c50f005,071840020400000000009000000000000000000000000000000000000000000000000200c02a05,0000000000000100000212008858296604d6ffff1f,0,12,56,1,0,11,68,69,-12.123,-3.698,1,1.0,0.294977993,+,1.1113,-,1.1113,https://www.genome.jp/dbget-bin/www_bget?dr:D08923
2919,D09535, Mirabegron (USAN/JAN), Urinary antispasmodics,G04BD12,GENITO URINARY SYSTEM AND SEX HORMONES,c1cccc(c1)[C@H](C[NH2+]CCc1ccc(cc1)NC(=O)Cc1csc(n1)N)O,397.514,2.4002,114.413,133.09,30,4,6,PBAPPPCECJKMCM-IBGZPJMESA-O,C21H25N4O2S+,O=C(Cc1csc(n1)N)Nc1ccc(cc1)CC[NH2+]CC(c1ccccc1)O,"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/p+1/t19-/m0/s1",-5.7179,-5.6619,-5.0349,-5.025,-4.3981,-4.3746,1.6640000000000001,1.7835,1.9302,1.983,3.1159,D09535_G04BD12,0026012000700040032006040c80000484000000000020000004008c00500000110041c10028002aa006a0180000104000422000102000088000000a000004100c002c0040200a01018010000a80000000900050048a2808402a0c00800100000880221000011000004000008000002900060142000910000008000002400300,0500002c00f021,0228400904000000000080000a000000000020000000d000000000000000000000000600c02a04,00000000084021000190afcc8962b0015d27c57f1f,0,17,37,1,0,10,53,55,-9.921,-3.883,1,0.0,0.052841640999999995,-,1.0996,-,1.0996,https://www.genome.jp/dbget-bin/www_bget?dr:D09535
2920,D08514, Sildenafil (INN), Drugs used in erectile dysfunction,G04BE03,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]c3c(c(=O)[nH]2)n(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)C)OCC,476.592,2.9959,136.481,125.9,38,3,7,DPYIWSDBTAKGJQ-UHFFFAOYSA-O,C22H32N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2c([nH]1)c(CCC)nn2C)S(=O)(=O)N1CC[NH+](CC1)C,"InChI=1S/C22H31N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14,23H,5-7,10-13H2,1-4H3,(H,24,29)/p+1",-10.3002,-9.4372,-9.2892,-6.3266,-6.0481,-5.2138,3.1284,3.1439999999999997,3.1967,3.2945,3.9874,D08514_G04BE03,6802050102e00e2411000e20000700098c10009000008300040100c0003001023800502a2000004010860138400100800162020050287104008000021020000008a10800810720a1012000000ab8800d00b0036018202008c00d13000000200300340022050003020001010000110800000eb105484110210844800194000304,0500000050f001,030042020400000003008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7febbfbbfeb87fbffff1f,0,6,64,3,0,7,70,73,-14.748,-7.402,0,1.0,0.000483188,+,2.4142,-,2.4142,https://www.genome.jp/dbget-bin/www_bget?dr:D08514
2921,D02229, Sildenafil citrate (JAN/USAN), Drugs used in erectile dysfunction,G04BE03,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]c3c(c(=O)[nH]2)n(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)C)OCC,476.592,2.9959,136.481,125.9,38,3,7,DPYIWSDBTAKGJQ-UHFFFAOYSA-O,C22H32N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2c([nH]1)c(CCC)nn2C)S(=O)(=O)N1CC[NH+](CC1)C,"InChI=1S/C22H31N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14,23H,5-7,10-13H2,1-4H3,(H,24,29)/p+1",-10.3229,-9.3769,-9.3597,-6.3221,-6.0482,-5.3941,3.1333,3.1633,3.2777,3.3310000000000004,3.9339999999999997,D02229_G04BE03,6802050102e00e2411000e20000700098c10009000008300040100c0003001023800502a2000004010860138400100800162020050287104008000021020000008a10800810720a1012000000ab8800d00b0036018202008c00d13000000200300340022050003020001010000110800000eb105484110210844800194000304,0500000050f001,030042020400000003008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7febbfbbfeb87fbffff1f,0,6,64,3,0,7,70,73,-14.745999999999999,-7.403,0,,0.00048345800000000003,+,2.4142,-,2.4142,https://www.genome.jp/dbget-bin/www_bget?dr:D02229
2922,D08685, Yohimbine (DCF), Drugs used in erectile dysfunction,G04BE04,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1)c1CC[N@H+]3[C@@H](C[C@H]4[C@H](C3)CC[C@@H]([C@@H]4C(=O)OC)O)c1[nH]2,355.45099999999996,2.7992,104.986,66.76,30,3,3,BLGXFZZNTVWLAY-SCYLSFHTSA-O,C21H27N2O3+,COC(=O)C1C(O)CCC2C1CC1[NH+](C2)CCc2c1[nH]c1c2cccc1,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/p+1/t12-,15-,17-,18-,19+/m0/s1",-6.1984,-6.0497,-4.6244,-4.5337,-4.4297,-3.0053,1.8645,1.9233,1.9524,1.9865,2.1445,D08685_G04BE04,206600200002062002008600060300048000009000400008010000c0002014001000509100408021188a211800011240010200000824600326000006000282000c010c02600402000080e0019a8800140090815004803108c00809018008400001300022002000010200100020100c00100f01510201100000c800010a000100,0500002c30f005,062840020400000000009000000000000000000000008400000000000000000000004600c02a05,0000000000002100014036979a41a0e70de7effb1f,0,10,46,1,0,2,53,57,-11.61,-3.767,6,0.0,0.025777473999999998,+,1.8133,-,1.8133,https://www.genome.jp/dbget-bin/www_bget?dr:D08685
2923,D06671, Yohimbine hydrochloride (USP), Drugs used in erectile dysfunction,G04BE04,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1)c1CC[N@H+]3[C@@H](C[C@H]4[C@H](C3)CC[C@@H]([C@@H]4C(=O)OC)O)c1[nH]2,355.45099999999996,2.7992,104.986,66.76,30,3,3,BLGXFZZNTVWLAY-SCYLSFHTSA-O,C21H27N2O3+,COC(=O)C1C(O)CCC2C1CC1[NH+](C2)CCc2c1[nH]c1c2cccc1,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/p+1/t12-,15-,17-,18-,19+/m0/s1",-6.2011,-6.0503,-4.6243,-4.5343,-4.4319,-3.003,1.8625,1.9268,1.9483,1.9937,2.1232,D06671_G04BE04,206600200002062002008600060300048000009000400008010000c0002014001000509100408021188a211800011240010200000824600326000006000282000c010c02600402000080e0019a8800140090815004803108c00809018008400001300022002000010200100020100c00100f01510201100000c800010a000100,0500002c30f005,062840020400000000009000000000000000000000008400000000000000000000004600c02a05,0000000000002100014036979a41a0e70de7effb1f,0,10,46,1,0,2,53,57,-11.455,-3.627,6,2.0,,+,1.8133,-,1.8133,https://www.genome.jp/dbget-bin/www_bget?dr:D06671
2924,D07460, Apomorphine (BAN), Drugs used in erectile dysfunction,G04BE07,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c3c1c1c(C[C@H]3[N@H+](CC2)C)ccc(c1O)O,268.33,3.002,83.9817,44.9,20,3,2,VMWNQDUVQKEIOC-CYBMUJFWSA-O,C17H18NO2+,C[NH+]1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/p+1/t13-/m1/s1",-6.053,-5.8103,-4.5969999999999995,-4.5945,-1.726,-0.9604,1.5548,1.5828,1.5873,1.8267,1.8898,D07460_G04BE07,002700000002442002040600004100044100008000401210810000c000008010104040812050401000803018000102000112620006000004201000024002020008a00800000400200000200082084000008080400000300840080810800800000110000200000002020000c82110020000060110000110200900004208200000,0100000406f001,020040020400000000000000000000000000000000030000000000000000000000004600c00204,0000000000002100800432149a412dc305c5edf91f,0,12,29,0,0,0,38,41,-11.639000000000001,-3.82,2,2.0,0.002863545,-,1.0399,-,1.0399,https://www.genome.jp/dbget-bin/www_bget?dr:D07460
2925,D07460, Apomorphine (BAN), Dopamine agonists,N04BC07,NERVOUS SYSTEM,c1ccc2c3c1c1c(C[C@H]3[N@H+](CC2)C)ccc(c1O)O,268.33,3.002,83.9817,44.9,20,3,2,VMWNQDUVQKEIOC-CYBMUJFWSA-O,C17H18NO2+,C[NH+]1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/p+1/t13-/m1/s1",-6.053,-5.8103,-4.5969999999999995,-4.5945,-1.726,-0.9604,1.5548,1.5828,1.5873,1.8267,1.8898,D07460_N04BC07,002700000002442002040600004100044100008000401210810000c000008010104040812050401000803018000102000112620006000004201000024002020008a00800000400200000200082084000008080400000300840080810800800000110000200000002020000c82110020000060110000110200900004208200000,0100000406f001,020040020400000000000000000000000000000000030000000000000000000000004600c00204,0000000000002100800432149a412dc305c5edf91f,0,12,29,0,0,0,38,41,-11.639000000000001,-3.82,2,2.0,0.002863545,-,1.0399,-,1.0399,https://www.genome.jp/dbget-bin/www_bget?dr:D07460
2926,D02004, Apomorphine hydrochloride (USP), Drugs used in erectile dysfunction,G04BE07,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c3c1c1c(C[C@H]3[N@H+](CC2)C)ccc(c1O)O,268.33,3.002,83.9817,44.9,20,3,2,VMWNQDUVQKEIOC-CYBMUJFWSA-O,C17H18NO2+,C[NH+]1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/p+1/t13-/m1/s1",-6.053,-5.8103,-4.5969999999999995,-4.5945,-1.726,-0.9604,1.5548,1.5828,1.5873,1.8267,1.8898,D02004_G04BE07,002700000002442002040600004100044100008000401210810000c000008010104040812050401000803018000102000112620006000004201000024002020008a00800000400200000200082084000008080400000300840080810800800000110000200000002020000c82110020000060110000110200900004208200000,0100000406f001,020040020400000000000000000000000000000000030000000000000000000000004600c00204,0000000000002100800432149a412dc305c5edf91f,0,12,29,0,0,0,38,41,-11.639000000000001,-3.82,2,1.0,0.002864528,-,1.0399,-,1.0399,https://www.genome.jp/dbget-bin/www_bget?dr:D02004
2927,D02004, Apomorphine hydrochloride (USP), Dopamine agonists,N04BC07,NERVOUS SYSTEM,c1ccc2c3c1c1c(C[C@H]3[N@H+](CC2)C)ccc(c1O)O,268.33,3.002,83.9817,44.9,20,3,2,VMWNQDUVQKEIOC-CYBMUJFWSA-O,C17H18NO2+,C[NH+]1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/p+1/t13-/m1/s1",-6.053,-5.8103,-4.5969999999999995,-4.5945,-1.726,-0.9604,1.5548,1.5828,1.5873,1.8267,1.8898,D02004_N04BC07,002700000002442002040600004100044100008000401210810000c000008010104040812050401000803018000102000112620006000004201000024002020008a00800000400200000200082084000008080400000300840080810800800000110000200000002020000c82110020000060110000110200900004208200000,0100000406f001,020040020400000000000000000000000000000000030000000000000000000000004600c00204,0000000000002100800432149a412dc305c5edf91f,0,12,29,0,0,0,38,41,-11.639000000000001,-3.82,2,1.0,0.002864528,-,1.0399,-,1.0399,https://www.genome.jp/dbget-bin/www_bget?dr:D02004
2928,D02008, Tadalafil (JAN/USAN/INN), Drugs used in erectile dysfunction,G04BE08,GENITO URINARY SYSTEM AND SEX HORMONES,N1(CC(=O)N2[C@@H](C1=O)Cc1c([C@H]2c2ccc3c(c2)OCO3)[nH]c2c1cccc2)C,389.404,2.0871,112.61,74.87,25,1,6,WOXKDUGGOYFFRN-IIBYNOLFSA-N,C22H19N3O4,O=C1N(C)CC(=O)N2C1Cc1c(C2c2ccc3c(c2)OCO3)[nH]c2c1cccc2,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",-3.9985,-3.8824,-3.8592,-3.7983,-3.7945,-2.3626,1.9163,1.9386,2.1011,2.1792,2.3317,D02008_G04BE08,20460120004204200b0086008403000f000000f000403208010000e000381440188046932140802008862338000306c0010a02000804380027000002000200008c812402c104028101a8602082c8001e00b0804004803148c0080900800860000d300023002404030200180020120400100e81550801102008fa80460a800100,0400000050b001,020000000000804000008000200000400000000000008400000000000000000000004600402804,0000000800000021814434de1a7995c788ebebfb1f,0,16,35,2,0,1,48,53,-8.749,-0.055999999999999994,2,-3.0,0.851508498,+,3.0866,-,3.0866,https://www.genome.jp/dbget-bin/www_bget?dr:D02008
2929,D08668, Vardenafil (INN), Drugs used in erectile dysfunction,G04BE09,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]n3c(c(=O)[nH]2)c(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)CC)OCC,490.619,3.4554,140.451,125.38,40,3,7,KNJBAJVBHOMDKY-UHFFFAOYSA-O,C23H34N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CC[NH+](CC1)CC,"InChI=1S/C23H33N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15,25-26H,5-8,11-14H2,1-4H3/p+1",-10.3192,-9.4372,-9.3029,-6.042000000000001,-5.1843,-5.0976,3.0860000000000003,3.1142,3.1426,3.1986,3.2546,D08668_G04BE09,e8a3150002e01c2c1100ce20000700098c11009000008100040300c0003060023800402a210000400086013840010080037202005008738401a00002102000000ca10800810620a10120000002b8800e00b2006018202008e80d13800000000302340022040003020001010000114800000eb10548411021084480089c000104,0500000050f001,030042020400004203008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7eebbfbbfeb87fbffff1f,0,6,67,3,0,8,73,76,-14.526,-7.704,0,0.0,0.00029848200000000003,+,2.4625,-,2.4625,https://www.genome.jp/dbget-bin/www_bget?dr:D08668
2930,D02731, Vardenafil dihydrochoride (USAN), Drugs used in erectile dysfunction,G04BE09,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]n3c(c(=O)[nH]2)c(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)CC)OCC,490.619,3.4554,140.451,125.38,40,3,7,KNJBAJVBHOMDKY-UHFFFAOYSA-O,C23H34N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CC[NH+](CC1)CC,"InChI=1S/C23H33N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15,25-26H,5-8,11-14H2,1-4H3/p+1",-10.3306,-9.4228,-9.3383,-6.0389,-5.222,-4.968999999999999,3.0353,3.1079,3.1212,3.1561,3.3206,D02731_G04BE09,e8a3150002e01c2c1100ce20000700098c11009000008100040300c0003060023800402a210000400086013840010080037202005008738401a00002102000000ca10800810620a10120000002b8800e00b2006018202008e80d13800000000302340022040003020001010000114800000eb10548411021084480089c000104,0500000050f001,030042020400004203008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7eebbfbbfeb87fbffff1f,0,6,67,3,0,8,73,76,-14.526,-7.7010000000000005,0,,0.000297466,+,2.4625,-,2.4625,https://www.genome.jp/dbget-bin/www_bget?dr:D02731
2931,D03260, Vardenafil hydrochloride hydrate (JAN), Drugs used in erectile dysfunction,G04BE09,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]n3c(c(=O)[nH]2)c(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)CC)OCC,490.619,3.4554,140.451,125.38,40,3,7,KNJBAJVBHOMDKY-UHFFFAOYSA-O,C23H34N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CC[NH+](CC1)CC,"InChI=1S/C23H33N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15,25-26H,5-8,11-14H2,1-4H3/p+1",-10.2688,-9.4193,-9.2613,-6.045,-5.4111,-5.1919,3.1214,3.1216,3.1228,3.3064,3.4116,D03260_G04BE09,e8a3150002e01c2c1100ce20000700098c11009000008100040300c0003060023800402a210000400086013840010080037202005008738401a00002102000000ca10800810620a10120000002b8800e00b2006018202008e80d13800000000302340022040003020001010000114800000eb10548411021084480089c000104,0500000050f001,030042020400004203008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7eebbfbbfeb87fbffff1f,0,6,67,3,0,8,73,76,-14.530999999999999,-7.702999999999999,0,,0.000298417,+,2.4625,-,2.4625,https://www.genome.jp/dbget-bin/www_bget?dr:D03260
2932,D09989, Vardenafil hydrochloride (USAN), Drugs used in erectile dysfunction,G04BE09,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c2[nH]n3c(c(=O)[nH]2)c(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CC[NH+](CC1)CC)OCC,490.619,3.4554,140.451,125.38,40,3,7,KNJBAJVBHOMDKY-UHFFFAOYSA-O,C23H34N6O4S+,CCOc1ccc(cc1c1[nH]c(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CC[NH+](CC1)CC,"InChI=1S/C23H33N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15,25-26H,5-8,11-14H2,1-4H3/p+1",-10.3499,-9.363999999999999,-9.2567,-6.0443,-5.2209,-5.2010000000000005,3.0926,3.1131,3.1514,3.195,3.3909,D09989_G04BE09,e8a3150002e01c2c1100ce20000700098c11009000008100040300c0003060023800402a210000400086013840010080037202005008738401a00002102000000ca10800810620a10120000002b8800e00b2006018202008e80d13800000000302340022040003020001010000114800000eb10548411021084480089c000104,0500000050f001,030042020400004203008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7eebbfbbfeb87fbffff1f,0,6,67,3,0,8,73,76,-14.53,-7.702000000000001,0,-1.0,0.000298678,+,2.4625,-,2.4625,https://www.genome.jp/dbget-bin/www_bget?dr:D09989
2933,D03217, Avanafil (USAN/INN), Drugs used in erectile dysfunction,G04BE10,GENITO URINARY SYSTEM AND SEX HORMONES,c1cnc(nc1)CNC(=O)c1c(nc(nc1)N1CCC[C@H]1CO)NCc1cc(c(cc1)OC)Cl,483.95099999999996,2.9607,131.011,125.39,36,3,10,WEAJZXNPAWBCOA-INIZCTEOSA-N,C23H26ClN7O3,OCC1CCCN1c1ncc(c(n1)NCc1ccc(c(c1)Cl)OC)C(=O)NCc1ncccn1,"InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1",-6.2741,-4.8923,-4.8124,-4.7688,-4.3756,-4.197,2.6275,2.6657,3.1531,3.2121,3.2196,D03217_G04BE10,c04202c0001004c0010846000c030000c01000900000220080880080002014001800540040488123008f041c00001080010aa2400000400002400003000006100c010c00010d0a81000000010698000600d8014004002140c8080020000180008138100200f0040650401100a8100802100e0918882110200900000902800110,0400001c50b021,0218020080000000000080000a0000014002000000049000000000000000000000000640403804,000000012000102001d456de4b76b1e375e7efff1f,0,18,44,1,0,10,60,63,-9.093,-0.35100000000000003,1,2.0,0.7396045920000001,+,2.2563,-,2.2563,https://www.genome.jp/dbget-bin/www_bget?dr:D03217
2934,D10027, Udenafil (USAN/INN), Drugs used in erectile dysfunction,G04BE11,GENITO URINARY SYSTEM AND SEX HORMONES,c1(ccc(c(c1)c1[nH]c2c(c(=O)[nH]1)n(nc2CCC)C)OCCC)S(=O)(=O)NCC[C@@H]1[N@@H+](CCC1)C,518.672,4.6655,146.893,134.69,44,4,7,AEMGHXURZGZJBZ-QGZVFWFLSA-O,C25H38N6O4S+,CCCOc1ccc(cc1c1[nH]c(=O)c2c([nH]1)c(CCC)nn2C)S(=O)(=O)NCCC1CCC[NH+]1C,"InChI=1S/C25H37N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26,28H,5-9,12-15H2,1-4H3,(H,27,32)/p+1/t17-/m1/s1",-11.2819,-9.6436,-8.9653,-6.4169,-6.0054,-5.4872,2.8181,3.2836,3.4044,3.4432,3.9652,D10027_G04BE11,7822050100e00e2411000e20000700098c100090000083000c0100c0003001021800501a00000041108601384001008003760200502851040080002210200000082108008107e0a1012000000ab8800d00b0036018202008c00d53000000200300340022050001021001010200110800000eb105484110210844800114000304,0500000050f001,030042020400000003008000200000000000000000000000100024000000000000004640c02a04,0000008021047dbe14d5b7febbfbbfeb8ffbffff1f,0,6,73,3,0,11,79,82,-14.584000000000001,-7.1129999999999995,2,1.0,0.0006001930000000001,+,2.8826,-,2.8826,https://www.genome.jp/dbget-bin/www_bget?dr:D10027
2935,D00220, Acetohydroxamic acid (USP/INN), Other urologicals,G04BX03,GENITO URINARY SYSTEM AND SEX HORMONES,C(=O)(NO)C,75.0666,-0.0974,15.4592,49.33,8,2,3,RRUDCFGSUDOHDG-UHFFFAOYSA-N,C2H5NO2,CC(=O)NO,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",-3.7967,-2.3808,-2.069,-1.4522,-1.2328,-1.1840000000000002,0.7575,1.0038,1.3201,1.44,1.4857,D00220_G04BX03,0000000000000000040004000000000000000000000000000000000000000000000000000000000000060000000000000000000000000000000000000000000010000000000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000040000000000401000000000000000,0400000000a000,010000000000000000008000002000000000000000000000000000000000000000000000402800,0000800000000000d800002820201008040440ea09,0,0,8,1,0,1,10,9,-10.543,1.182,0,,9.895479999999999e-05,+,1.081,-,1.081,https://www.genome.jp/dbget-bin/www_bget?dr:D00220
2936,D08346, Phenazopyridine (INN), Other urologicals,G04BX06,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c(nc(cc1)N)N)/N=N/c1ccccc1,213.239,3.8238,63.6638,89.65,16,2,5,QPFYXYFORQJZEC-FOCLMDBBSA-N,C11H11N5,Nc1ccc(c(n1)N)N=Nc1ccccc1,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+",-5.1155,-5.1096,-5.1047,-5.0964,-3.8136,-3.7910000000000004,1.2119,1.3611,1.3726,2.5069999999999997,3.4503,D08346_G04BX06,8000000000000000010046000800900000000000900000800000100100000100002028000208802000c0000c000000400000200000002008080080000080000104000400500004000000000800080000008000000400000040080000000200008000000000000000000000000080040220030000804100400010800002000000,0000000000b021,000000080000000000000000000000010000000000009000000000000000000000000640433800,000000002000180001d008200200400954a1612817,0,12,15,1,0,2,27,28,-8.302,0.16399999999999998,0,1.0,0.083074257,+,0.542,-,0.542,https://www.genome.jp/dbget-bin/www_bget?dr:D08346
2937,D05450, Phenazopyridine hydrochloride (USP), Other urologicals,G04BX06,GENITO URINARY SYSTEM AND SEX HORMONES,c1(c(nc(cc1)N)N)/N=N/c1ccccc1,213.239,3.8238,63.6638,89.65,16,2,5,QPFYXYFORQJZEC-FOCLMDBBSA-N,C11H11N5,Nc1ccc(c(n1)N)N=Nc1ccccc1,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+",-5.1154,-5.1123,-5.1042,-5.0959,-3.8143,-3.7904,1.2118,1.3597,1.3721,2.5086,3.4519,D05450_G04BX06,8000000000000000010046000800900000000000900000800000100100000100002028000208802000c0000c000000400000200000002008080080000080000104000400500004000000000800080000008000000400000040080000000200008000000000000000000000000080040220030000804100400010800002000000,0000000000b021,000000080000000000000000000000010000000000009000000000000000000000000640433800,000000002000180001d008200200400954a1612817,0,12,15,1,0,2,27,28,-8.3,0.165,0,0.0,0.083068788,+,0.542,-,0.542,https://www.genome.jp/dbget-bin/www_bget?dr:D05450
2938,D08532, Succinimide, Other urologicals,G04BX10,GENITO URINARY SYSTEM AND SEX HORMONES,C1(=O)NC(=O)CC1,99.088,-0.2482,26.3447,46.17,8,1,3,KZNICNPSHKQLFF-UHFFFAOYSA-N,C4H5NO2,O=C1CCC(=O)N1,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",-3.8319,-3.8284,-2.9646,-2.9639,-2.5915,-1.3630000000000002,1.032,1.454,1.4544,1.7574,1.7579,D08532_G04BX10,0002000000000000010004000200000000000000000000000000000000000000180000000000000000060010000002000100000000000000000000000000000000000000000000000000000002800004001000400000200080000000000000000000000000000000100000000000000000040000000010000010000000000200,0400000000a001,020000000000000000008000000100000000000000000000000000000000000000000400400800,00000000000000000000048b806030418841446a19,0,0,10,2,0,0,12,12,-11.232000000000001,0.009000000000000001,0,0.0,0.001459791,-,0.5639,-,0.5639,https://www.genome.jp/dbget-bin/www_bget?dr:D08532
2939,D01043, Dimethyl sulfoxide (USP/INN), Other urologicals,G04BX13,GENITO URINARY SYSTEM AND SEX HORMONES,S(=O)(C)C,78.1334,0.8604,20.0055,36.28,7,0,1,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,C2H6OS,CS(=O)C,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,-0.5425,-0.5209,-0.5209,0.0,0.0,0.0,0.0,0.0,0.0,0.174,0.174,D01043_G04BX13,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000,00000000002100,000000000000000000000000000000000000000000000000000100000000000000000000400801,00000000000004180403a010200000080000188008,0,0,8,1,0,0,10,9,-7.555,-1.546,0,1.0,7.28164e-05,-,0.8079,-,0.8079,https://www.genome.jp/dbget-bin/www_bget?dr:D01043
2940,D01043, Dimethyl sulfoxide (USP/INN), Other topical products for joint and muscular pain,M02AX03,MUSCULO-SKELETAL SYSTEM,S(=O)(C)C,78.1334,0.8604,20.0055,36.28,7,0,1,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,C2H6OS,CS(=O)C,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,-0.5425,-0.5209,-0.5209,0.0,0.0,0.0,0.0,0.0,0.0,0.174,0.174,D01043_M02AX03,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000,00000000002100,000000000000000000000000000000000000000000000000000100000000000000000000400801,00000000000004180403a010200000080000188008,0,0,8,1,0,0,10,9,-7.555,-1.546,0,1.0,7.28164e-05,-,0.8079,-,0.8079,https://www.genome.jp/dbget-bin/www_bget?dr:D01043
2941,D03649, Dapoxetine hydrochloride (USAN), Other urologicals,G04BX14,GENITO URINARY SYSTEM AND SEX HORMONES,c1ccc2c(c1)cc(cc2)OCC[C@@H](c1ccccc1)[NH+](C)C,306.421,3.4945,98.3087,13.67,25,1,1,CWLFFSMYYURBLY-NRFANRHFSA-O,C21H24NO+,C[NH+](C(c1ccccc1)CCOc1ccc2c(c1)cccc2)C,"InChI=1S/C21H23NO/c1-22(2)21(18-9-4-3-5-10-18)14-15-23-20-13-12-17-8-6-7-11-19(17)16-20/h3-13,16,21H,14-15H2,1-2H3/p+1/t21-/m0/s1",-6.0219,-5.8265,-4.6073,-4.6043,-1.2192,-1.1478,1.5758,1.5874,1.7819,1.8356,1.8411,D03649_G04BX14,400600000000040002000600000300000000008000000000000000800000000010004000c00000010880001800010000010002000000c000000000020000200008200800010000110000000002088000008000400000300840080800000800000010000200000002000000020010000000070100080110200800000000000004,0100000050f001,020042020400000000000000000000000000000000000000000000000000000000004200c02204,000000000000010000023012915929620840ddbd1f,0,17,32,0,0,6,47,49,-10.581,-4.038,1,,0.051948655,+,0.6541,-,0.6541,https://www.genome.jp/dbget-bin/www_bget?dr:D03649
2942,D07124, Alfuzosin (INN), Alpha-adrenoreceptor antagonists,G04CA01,GENITO URINARY SYSTEM AND SEX HORMONES,n1c(nc2c(c1N)cc(c(c2)OC)OC)N(CCCNC(=O)[C@@H]1CCCO1)C,389.449,2.3228,106.755,111.83,36,2,9,WNMJYKCGWZFFKR-AWEZNQCLSA-N,C19H27N5O4,COc1cc2nc(nc(c2cc1OC)N)N(CCCNC(=O)C1CCCO1)C,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/t14-/m0/s1",-6.235,-5.1112,-5.0938,-4.7986,-4.792,-4.3088,2.3164,2.3551,2.6244,3.1509,3.2112,D07124_G04CA01,c0222800001000401908460018020000410000100000040000000000002400101c003000400880332806081c200000400106a6000000600008400080000000100c800c08491008010000400126c0000400d0014004002001e0090020000100000808102000a008060040000088100c0200060988080010200914000102000100,0400000070b021,0280020800000000000080000a0000010000000000009000000000000000000000004600403804,000000012000000181903ede9b7bbde35dfbffff1f,0,11,45,1,0,9,55,57,-8.353,-0.331,1,1.0,0.133587494,+,1.5149,-,1.5149,https://www.genome.jp/dbget-bin/www_bget?dr:D07124
2943,D01692, Alfuzosin hydrochloride (JAN/USAN), Alpha-adrenoreceptor antagonists,G04CA01,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(nc(nc2N)N(CCCNC(=O)[C@@H]2CCCO2)C)cc(c(c1)OC)OC,389.449,2.3228,106.755,111.83,36,2,9,WNMJYKCGWZFFKR-AWEZNQCLSA-N,C19H27N5O4,COc1cc2nc(nc(c2cc1OC)N)N(CCCNC(=O)C1CCCO1)C,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/t14-/m0/s1",-6.2193,-5.1132,-5.0969,-4.7967,-4.7876,-4.3069999999999995,2.3302,2.3541,2.6152,3.1695,3.1807,D01692_G04CA01,c0222800001000401908460018020000410000100000040000000000002400101c003000400880332806081c200000400106a6000000600008400080000000100c800c08491008010000400126c0000400d0014004002001e0090020000100000808102000a008060040000088100c0200060988080010200914000102000100,0400000070b021,0280020800000000000080000a0000010000000000009000000000000000000000004600403804,000000012000000181903ede9b7bbde35dfbffff1f,0,11,45,1,0,9,55,57,-8.362,-0.331,1,,0.110620506,+,1.4953,-,1.4953,https://www.genome.jp/dbget-bin/www_bget?dr:D01692
2944,D08560, Tamsulosin (INN), Alpha-adrenoreceptor antagonists,G04CA02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(C[C@H]([NH2+]CCOc2ccccc2OCC)C)cc(c(cc1)OC)S(=O)(=O)N,409.52,3.0958,109.494,112.84,35,2,6,DRHKJLXJIQTDTD-OAHLLOKOSA-O,C20H29N2O5S+,CCOc1ccccc1OCC[NH2+]C(Cc1ccc(c(c1)S(=O)(=O)N)OC)C,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m1/s1",-12.1779,-9.3966,-9.3176,-5.7818,-5.7517,-5.6826,1.8146,2.4226,3.6363,3.7322,3.9389999999999996,D08560_G04CA02,a9060100000000000a000620000200040900000100001200000000800080000018004089000000120000241800010080012202000000000000000002010200110881080281102881010000000240800000c00060002030084008080080088000000000000000040200000100801100000206b100082110210800800010200014,0100000050f001,030042010400000000000000000000000000000000000000000024000000000000000240c02a04,000000800100459e94018b71a9da3fe88ffafffd1f,0,12,44,2,0,11,57,58,-11.825999999999999,-4.102,1,1.0,0.028724946,+,0.865,-,0.865,https://www.genome.jp/dbget-bin/www_bget?dr:D08560
2945,D01024, Tamsulosin hydrochloride (JP17/USAN), Alpha-adrenoreceptor antagonists,G04CA02,GENITO URINARY SYSTEM AND SEX HORMONES,c1(C[C@H]([NH2+]CCOc2ccccc2OCC)C)cc(c(cc1)OC)S(=O)(=O)N,409.52,3.0958,109.494,112.84,35,2,6,DRHKJLXJIQTDTD-OAHLLOKOSA-O,C20H29N2O5S+,CCOc1ccccc1OCC[NH2+]C(Cc1ccc(c(c1)S(=O)(=O)N)OC)C,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m1/s1",-12.3124,-9.4523,-9.3237,-5.8233,-5.7851,-5.71,2.1717,2.4137,3.6895,3.7249,3.8891,D01024_G04CA02,a9060100000000000a000620000200040900000100001200000000800080000018004089000000120000241800010080012202000000000000000002010200110881080281102881010000000240800000c00060002030084008080080088000000000000000040200000100801100000206b100082110210800800010200014,0100000050f001,030042010400000000000000000000000000000000000000000024000000000000000240c02a04,000000800100459e94018b71a9da3fe88ffafffd1f,0,12,44,2,0,11,57,58,-11.827,-4.102,1,,0.028727747999999997,+,0.865,-,0.865,https://www.genome.jp/dbget-bin/www_bget?dr:D01024
2946,D08569, Terazosin (INN), Alpha-adrenoreceptor antagonists,G04CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(nc(nc2N)N2CCN(CC2)C(=O)[C@H]2CCCO2)cc(c(c1)OC)OC,387.43300000000005,1.6409,111.585,103.04,34,1,9,VCKUSRYTPJJLNI-CQSZACIVSA-N,C19H25N5O4,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1CCCO1,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1",-6.2472,-5.1089,-5.0933,-4.8186,-4.7909,-3.8544,2.3588,2.3687,2.7871,3.1839,3.1902,D08569_G04CA03,c0022800001000400908460018020008410000100000040000000000002400101c003002610880332806003e200000400106a6000000600008400080000000100c801c08491018010020400126c0000400d0014004002001c0080020000100000808002000a008060040000088100c020006098c080010200920000102000100,0400000070b021,028002080000000000008000120000010000000000009000000000000000000000004600403804,000000012000002181d43cd81b73b1e359ebfffb1f,0,11,44,1,0,5,53,56,-8.398,-0.424,1,-2.0,0.14116975699999998,+,1.7012,-,1.7012,https://www.genome.jp/dbget-bin/www_bget?dr:D08569
2947,D00610, Terazosin hydrochloride (USAN), Alpha-adrenoreceptor antagonists,G04CA03,GENITO URINARY SYSTEM AND SEX HORMONES,c12c(nc(nc2N)N2CCN(CC2)C(=O)[C@H]2CCCO2)cc(c(c1)OC)OC,387.43300000000005,1.6409,111.585,103.04,34,1,9,VCKUSRYTPJJLNI-CQSZACIVSA-N,C19H25N5O4,COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1CCCO1,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1",-6.3062,-5.1134,-5.0921,-4.7988,-4.7926,-3.8846,2.3513,2.3776,2.8233,3.1933,3.2119,D00610_G04CA03,c0022800001000400908460018020008410000100000040000000000002400101c003002610880332806003e200000400106a6000000600008400080000000100c801c08491018010020400126c0000400d0014004002001c0080020000100000808002000a008060040000088100c020006098c080010200920000102000100,0400000070b021,028002080000000000008000120000010000000000009000000000000000000000004600403804,000000012000002181d43cd81b73b1e359ebfffb1f,0,11,44,1,0,5,53,56,-8.421,-0.41,1,,0.169505954,+,1.7012,-,1.7012,https://www.genome.jp/dbget-bin/www_bget?dr:D00610
2948,D01965, Silodosin (JP17/INN), Alpha-adrenoreceptor antagonists,G04CA04,GENITO URINARY SYSTEM AND SEX HORMONES,c1(cc(c2c(c1)CCN2CCCO)C(=O)N)C[C@H]([NH2+]CCOc1c(cccc1)OCC(F)(F)F)C,496.542,2.8102,131.063,101.63,39,3,6,PNCPYILNMDWPEY-QGZVFWFLSA-O,C25H33F3N3O4+,OCCCN1CCc2c1c(cc(c2)CC([NH2+]CCOc1ccccc1OCC(F)(F)F)C)C(=O)N,"InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/p+1/t17-/m1/s1",-5.7078,-5.6744,-4.5609,-4.3565,-4.3544,-4.1706,1.7856,1.9189,2.1187,2.679,2.9105,D01965_G04CA04,80260060000004800a000600008208048110809000000008000000800100000015004081800000330086261800011040010282000004800800000002008004100a80080a41110a010080000002c880000080014004003008400a0820800880000010000100000002400001008110002002062140080110200808000002600016,0500001c50f021,031942010500000000008000060000004003000000000000000000000000000000004640e02a04,000000000002010080843eca99ff3de36defefff1f,3,12,57,1,0,14,68,70,-10.595999999999998,-4.126,1,1.0,0.34911456700000004,-,2.2388,-,2.2388,https://www.genome.jp/dbget-bin/www_bget?dr:D01965
2949,D03820, Dutasteride (JAN/USAN/INN), Testosterone-5-alpha reductase inhibitors,G04CB02,GENITO URINARY SYSTEM AND SEX HORMONES,C1=C[C@]2([C@H](NC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F)C)C,528.53,6.9779,129.944,58.2,34,2,4,JWJOTENAMICLJG-QWBYCMEYSA-N,C27H30F6N2O2,O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F)C)C,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",-4.7248,-4.1865,-4.1835,-4.1811,-4.1801,-4.1792,1.7744,1.9344,2.1925,2.3809,2.642,D03820_G04CB02,00020002000012240100060100804000801000901041480000000080000004005800500000a000209006041800001048110200000220014a40010002000004200201000040040200000011010a8102040490014004002800d0081000000100010004002080051800402000200000002400060100000110400090000912400100,0400000000b001,1f01000000000000000080002a0000000001000000000000000000000000000000004640636804,00000000000200000200008e96ef3cc1f5e175ea1f,6,6,62,3,0,5,67,71,-9.866,-1.205,7,,0.9719621540000001,-,3.7507,-,3.7507,https://www.genome.jp/dbget-bin/www_bget?dr:D03820
2950,D00101, Vasopressin (JP17/USP), Vasopressin and analogues,H01BA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N)CCCNC(=[NH2])N)CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CSSC1)[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1086.25,-0.0419,297.851,515.82,95,15,27,RFYHDZZQJOQVDW-JGFQOCDBSA-O,C46H67N15O12S2+,NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCNC(=[NH2])N)[NH3+],"InChI=1S/C46H66N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,53,62H,4-5,8-9,14-23,47,51-52H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)/p+1/t27-,28+,29+,30+,31+,32-,33-,34+/m0/s1",-12.4071,-12.3726,-10.8806,-6.1993,-6.1921,-6.1464,3.9462,4.2585,4.3919,4.9023,5.162000000000001,D00101_H01BA01,0026c103004008a03b8006001200000c00000010000412400000808000180000180050870306000020062d384001004001234e001800000001000002000000000800140000000080012004001690000e00b0034000003008c2090f02800a20000c200020000000021001000000000000000f1144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400140000000010000000000800000000000000600c02a04,002000010804310004f49ece8962f1cb9d6fef7f1f,0,12,121,12,0,23,142,145,-13.067,-7.98,8,,0.006217603,-,22.6542,-,22.6542,https://www.genome.jp/dbget-bin/www_bget?dr:D00101
2951,D00291, Desmopressin (INN), Vasopressin and analogues,H01BA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N)CCCNC(=[NH2])N)CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)CCSSC1)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1070.22,1.7377,293.88599999999997,488.18,93,14,27,MQDMZHFXHIUZGG-IUOQAEGDSA-N,C46H65N14O12S2,NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCNC(=[NH2])N)Cc1ccc(cc1)O,"InChI=1S/C46H65N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,52,61H,4-5,8-9,14-24,50-51H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)/t28-,29-,30-,31-,32+,33+,34-/m1/s1",-12.5668,-12.4729,-10.9823,-6.1969,-6.1943,-6.1862,3.795,3.8336,3.9567,4.995,5.1355,D00291_H01BA02,0026c103004008a03b8006001200000c00000010000412400000808000180000180050870306000020062d384001004001234e001800000001000002000000000800140000000080012004001690000e00b0034000003008c2090f02800a20000c200020000000021001000000000000000f1144000110601836008100000300,0400000402b201,0200c00040000000000080003e0000400040000000010000000000800000000000000600402804,002000010804300004f49ece8962f1cb8d6fef7f1f,0,12,118,12,0,23,139,142,-10.725,-5.624,7,0.0,0.935747683,-,22.0429,-,22.0429,https://www.genome.jp/dbget-bin/www_bget?dr:D00291
2952,D02235, Desmopressin acetate (USAN), Vasopressin and analogues,H01BA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N)CCCNC(=[NH2])N)CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)CCSSC1)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1070.22,1.7377,293.88599999999997,488.18,93,14,27,MQDMZHFXHIUZGG-IUOQAEGDSA-N,C46H65N14O12S2,NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCNC(=[NH2])N)Cc1ccc(cc1)O,"InChI=1S/C46H65N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,52,61H,4-5,8-9,14-24,50-51H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)/t28-,29-,30-,31-,32+,33+,34-/m1/s1",-12.6201,-12.5038,-10.95,-6.2073,-6.1728,-6.1572,3.8364,3.9075,3.9636,5.0787,5.0906,D02235_H01BA02,0026c103004008a03b8006001200000c00000010000412400000808000180000180050870306000020062d384001004001234e001800000001000002000000000800140000000080012004001690000e00b0034000003008c2090f02800a20000c200020000000021001000000000000000f1144000110601836008100000300,0400000402b201,0200c00040000000000080003e0000400040000000010000000000800000000000000600402804,002000010804300004f49ece8962f1cb8d6fef7f1f,0,12,118,12,0,23,139,142,-11.04,-5.497000000000001,7,0.0,0.9022488000000001,-,22.0429,-,22.0429,https://www.genome.jp/dbget-bin/www_bget?dr:D02235
2953,D00366, Lypressin (USP/INN), Vasopressin and analogues,H01BA03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N)CCCC[NH3+])CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CSSC1)[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1058.23,-1.2981,291.753,479.39,92,13,25,BJFIDCADFRDPIO-GBDVGDOGSA-P,C46H67N13O12S2++,[NH3+]CCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC([NH3+])C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1,"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/p+2/t28-,29+,30+,31+,32+,33-,34-,35+/m0/s1",-5.3871,-5.3858,-5.3683,-5.3652,-5.3639,-5.3579,2.6699,2.9238,2.9253,2.9641,2.9977,D00366_H01BA03,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000030062c384001004001234e001820000001000002000000000800040000000080012004001e80000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400100000000010000000000800000000000000600c02a04,002000000800310004c49ece8960b1cb9d6fef7f1f,0,12,120,11,0,22,140,143,-13.020999999999999,-7.247999999999999,8,,3.36771e-05,-,20.8557,-,20.8557,https://www.genome.jp/dbget-bin/www_bget?dr:D00366
2954,D06672, Terlipressin (USAN/INN), Vasopressin and analogues,H01BA04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](CCC1)C(=O)N[C@H](CCCC[NH3+])C(=O)NCC(=O)N)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CSSC1)NC(=O)CNC(=O)CNC(=O)C[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1229.39,-2.7768,329.6,566.69,107,16,31,BENFXAYNYRLAIU-LTGHFUFGSA-P,C52H76N16O15S2++,[NH3+]CCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC(NC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/p+2/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1",-5.4,-5.3758,-5.3728,-5.3648,-5.3646,-5.3617,2.6425,2.906,2.912,2.9246,2.9548,D06672_H01BA04,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000030062c384001004001234e001820000001000002000000000800040000000080012004001e80000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400100000000010000000000800000000000000600c02a04,002000000800310004c49ece8960b1cb9d6fef7f1f,0,12,138,14,0,31,161,164,-12.431,-6.461,8,0.0,0.0028755509999999996,-,30.8614,-,30.8614,https://www.genome.jp/dbget-bin/www_bget?dr:D06672
2955,D08571, Terlipressin acetate (JAN), Vasopressin and analogues,H01BA04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](CCC1)C(=O)N[C@H](CCCC[NH3+])C(=O)NCC(=O)N)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CSSC1)NC(=O)CNC(=O)CNC(=O)C[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1229.39,-2.7768,329.6,566.69,107,16,31,BENFXAYNYRLAIU-LTGHFUFGSA-P,C52H76N16O15S2++,[NH3+]CCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC(NC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/p+2/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1",-5.4291,-5.4137,-5.3771,-5.367999999999999,-5.3643,-5.3251,2.9048,2.9069,2.9266,2.9469,3.1733,D08571_H01BA04,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000030062c384001004001234e001820000001000002000000000800040000000080012004001e80000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400100000000010000000000800000000000000600c02a04,002000000800310004c49ece8960b1cb9d6fef7f1f,0,12,138,14,0,31,161,164,-12.431,-6.468999999999999,8,1.0,0.004654082,-,30.8614,-,30.8614,https://www.genome.jp/dbget-bin/www_bget?dr:D08571
2956,D07227, Ornipressin (INN), Vasopressin and analogues,H01BA05,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CCC[NH3+])CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CSSC1)[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1044.21,-1.6882,286.94599999999997,479.39,90,13,25,MUNMIGOEDGHVLE-MTUUWTMYSA-P,C45H65N13O12S2++,[NH3+]CCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC([NH3+])C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1,"InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/p+2/t27-,28-,29-,30-,31+,32-,33-,34-/m0/s1",-5.3841,-5.3819,-5.3758,-5.3686,-5.3643,-5.3498,2.6221,2.9032,2.9076,2.9104,2.9125,D07227_H01BA05,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000020062c384001004001234e001800000001000002000000000800040000000080012004001680000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400100000000010000000000800000000000000600c02a04,002000000800310004c49ece8960b1cb9d6fef7f1f,0,12,117,11,0,21,137,140,-12.93,-7.425,8,1.0,3.64143e-05,-,20.086,-,20.086,https://www.genome.jp/dbget-bin/www_bget?dr:D07227
2957,D02983, Argipressin tannate (USAN), Vasopressin and analogues,H01BA06,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",N1([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N)CCCNC(=[NH2])N)CCC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CSSC1)[NH3+])Cc1ccc(cc1)O)CCC(=O)N)CC(=O)N,1086.25,-0.0419,297.851,515.82,95,15,27,RFYHDZZQJOQVDW-JGFQOCDBSA-O,C46H67N15O12S2+,NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCNC(=[NH2])N)[NH3+],"InChI=1S/C46H66N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,53,62H,4-5,8-9,14-23,47,51-52H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)/p+1/t27-,28+,29+,30+,31+,32-,33-,34+/m0/s1",-12.5967,-10.2011,-9.8429,-6.2287,-6.1037,-6.0635,3.5178,3.8197,3.8875,4.124,4.891,D02983_H01BA06,0026c103004008a03b8006001200000c00000010000412400000808000180000180050870306000020062d384001004001234e001800000001000002000000000800140000000080012004001690000e00b0034000003008c2090f02800a20000c200020000000021001000000000000000f1144000110601836008100000300,0500000402f201,0200c00044000000000080003e0000400140000000010000000000800000000000000600c02a04,002000010804310004f49ece8962f1cb9d6fef7f1f,0,12,121,12,0,23,142,145,-12.777000000000001,-7.595,8,-2.0,0.019699723,-,22.6542,-,22.6542,https://www.genome.jp/dbget-bin/www_bget?dr:D02983
2958,D07228, Demoxytocin (INN), Oxytocin and analogues,H01BB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1c(ccc(c1)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSCCC(=O)N1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)NCC(=O)N)CC(C)C)CC(=O)N)CCC(=O)N)[C@H](CC)C)O,992.173,1.9188,273.757,424.11,90,11,25,GTYWGUNQAMYZPF-XTLIZUJQSA-N,C43H65N11O12S2,CCC(C1NC(=O)C(NC(=O)CCSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)O)C,"InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27+,28-,29-,30+,31-,36-/m0/s1",-4.8227,-4.8101,-4.7963,-4.407,-4.3394,-4.3338,2.6834,2.7538,2.9064,2.9098,2.9144,D07228_H01BB01,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000020062c384001004001234e001800000001000002000000000800040000000080012004001680000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0400000402b201,0700000040000000000080003e0000400000000000010000000000800000000000000600402804,002000000800300004c69ece8960b7cb8d7ffeff1f,0,6,118,11,0,20,133,135,-8.63,-1.6230000000000002,8,0.0,0.908668756,-,18.2647,-,18.2647,https://www.genome.jp/dbget-bin/www_bget?dr:D07228
2959,D00089, Oxytocin (JP17/USP/INN), Oxytocin and analogues,H01BB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1c(ccc(c1)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)[NH3+])C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)CC(=O)N)CCC(=O)N)[C@H](CC)C)O,1008.2,0.1392,277.722,451.75,92,12,25,XNOPRXBHLZRZKH-DSZYJQQASA-O,C43H67N12O12S2+,CCC(C1NC(=O)C(Cc2ccc(cc2)O)NC(=O)C([NH3+])CSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CC(C)C)C,"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/p+1/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1",-5.3799,-5.375,-5.3417,-4.8538,-4.7945,-4.7939,2.7468,2.8302,2.9210000000000003,2.9461,3.0303,D00089_H01BB02,0026c103004000203b8006000200000c00000010000412000000808000180000180050870306000020062c384001004001234e001800000001000002000000000800040000000080012004001680000e00b0034000003008c0090f02800820000c00002000000002100100000000000000071144000110601836008100000300,0500000402f201,0700c00044000000000080003e0000400100000000010000000000800000000000000600c02a04,002000000800310004c69ece8960b7cb9d7ffeff1f,0,6,121,11,0,20,136,138,-11.470999999999998,-4.829,9,-3.0,0.08706142,-,18.8232,-,18.8232,https://www.genome.jp/dbget-bin/www_bget?dr:D00089
2960,D07229, Carbetocin (INN/BAN), Oxytocin and analogues,H01BB03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1c(ccc(c1)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSCCCC(=O)N1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)NCC(=O)N)CC(C)C)CC(=O)N)CCC(=O)N)[C@H](CC)C)OC,988.1610000000001,1.9637,275.442,387.81,93,10,24,NSTRIRCPWQHTIA-KSFBHJHXSA-N,C45H69N11O12S,CCC(C1NC(=O)C(NC(=O)CCCSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29+,30-,31-,32+,33-,38-/m0/s1",-4.833,-4.8216,-4.789,-4.37,-4.3612,-4.361000000000001,2.6375,2.8961,2.9047,2.9199,2.9266,D07229_H01BB03,00268103004000203b0006000202000c000000100042120000000080001a0000180050870303000020062c3800010040010342001800000001000002000000040800040001000085012104001680010e00b0074000003008c0490e02800820840c0000200000040210000002001000004006110c080112200836004300000300,0400000050b101,0700030010000000000080003e0000400000000000000000000000000000000000000600402804,000000000800300000c6bede8960b7e38d7bfeff1f,0,6,123,11,0,21,138,140,-8.384,0.42,8,0.0,0.9285765890000001,-,18.0769,-,18.0769,https://www.genome.jp/dbget-bin/www_bget?dr:D07229
2961,D08027, Gonadorelin (INN), Gonadotropin-releasing hormones,H01CA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5311,-12.4563,-10.854000000000001,-6.1958,-6.1903,-6.1896,3.7925,3.8105,3.8304,4.9788,5.1136,D08027_H01CA01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.769,-5.635,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D08027
2962,D08027, Gonadorelin (INN), Tests for fertility disturbances,V04CM01,VARIOUS,c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.530999999999999,-12.3527,-10.7049,-6.2135,-6.1673,-6.1649,3.7981,3.8406,3.9313,4.9642,4.9863,D08027_V04CM01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.769,-5.635,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D08027
2963,D00988, Gonadorelin hydrochloride (USP), Gonadotropin-releasing hormones,H01CA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5181,-12.4387,-10.6913,-6.2183,-6.1813,-6.1791,3.8063,3.8289999999999997,3.8559,4.9346,4.9903,D00988_H01CA01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.767000000000001,-5.6610000000000005,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D00988
2964,D00988, Gonadorelin hydrochloride (USP), Tests for fertility disturbances,V04CM01,VARIOUS,c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5412,-12.4962,-10.8976,-6.1921,-6.1895,-6.1831,3.7866,3.7896,3.8575,5.0095,5.114,D00988_V04CM01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.767000000000001,-5.6610000000000005,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D00988
2965,D03267, Gonadorelin diacetate (JP17), Gonadotropin-releasing hormones,H01CA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5189,-12.4132,-10.8373,-6.2163,-6.1869,-6.186,3.7989,3.8002,3.9415,4.9473,5.059,D03267_H01CA01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.77,-5.636,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D03267
2966,D03267, Gonadorelin diacetate (JP17), Tests for fertility disturbances,V04CM01,VARIOUS,c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5192,-12.4635,-10.6953,-6.2107,-6.2022,-6.1503,3.8173,3.8463,3.8491,4.9521,4.9582,D03267_V04CM01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.77,-5.636,8,0.0,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D03267
2967,D04361, Gonadorelin acetate (USAN), Gonadotropin-releasing hormones,H01CA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.5774,-12.5565,-10.8011,-6.2336,-6.2264,-6.2139,3.8067,3.8428,3.8747,4.9731,5.0079,D04361_H01CA01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.772,-5.632999999999999,8,,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D04361
2968,D04361, Gonadorelin acetate (USAN), Tests for fertility disturbances,V04CM01,VARIOUS,c12c(C[C@@H](NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@@H]3NC(=O)CC3)C(=O)N[C@H](C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](CCC3)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO)c[nH]c1cccc2,1183.3,1.3216,312.111,474.3,104,17,27,ACXOPMOWJXXRGO-QWRFOPSCSA-N,C55H76N17O13,OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C55H76N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,60-61,73-74H,5-6,9-10,15-22,25-27,57-58H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)/t36-,37-,38-,39+,40-,41-,42+,43-/m1/s1",-12.6624,-12.427999999999999,-11.0856,-6.2284,-6.1884,-6.1836,3.8941,3.9092,4.228,4.8523,5.3955,D04361_V04CM01,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,21,133,12,0,41,161,166,-9.772,-5.632999999999999,8,,,+,27.2487,-,27.2487,https://www.genome.jp/dbget-bin/www_bget?dr:D04361
2969,D08241, Nafarelin (INN), Gonadotropin-releasing hormones,H01CA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](Cc1cc2c(cc1)cccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO,1323.48,4.0861,358.911,474.3,112,17,27,ZUTWGUYCGYYYJN-SNUXESHBSA-N,C66H84N17O13,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc2c(c1)cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C66H84N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,71-72,84-85H,7-8,13-14,21-25,27-30,33-34,68-69H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)/t46-,47-,48-,49+,50-,51-,52-,53+,54-/m1/s1",-12.5285,-12.5113,-10.8988,-6.2013,-6.1954,-6.195,3.7949,3.8129,3.8781,5.0079,5.1234,D08241_H01CA02,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,32,143,12,0,43,180,187,-9.634,-5.478,9,0.0,,+,31.0417,-,31.0417,https://www.genome.jp/dbget-bin/www_bget?dr:D08241
2970,D00990, Nafarelin acetate (JAN/USAN), Gonadotropin-releasing hormones,H01CA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](Cc1cc2c(cc1)cccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)CO,1323.48,4.0861,358.911,474.3,112,17,27,ZUTWGUYCGYYYJN-SNUXESHBSA-N,C66H84N17O13,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1ccc2c(c1)cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C66H84N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,71-72,84-85H,7-8,13-14,21-25,27-30,33-34,68-69H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)/t46-,47-,48-,49+,50-,51-,52-,53+,54-/m1/s1",-12.534,-12.4975,-10.8986,-6.1961,-6.1914,-6.1907,3.7944,3.7973,3.8679,5.0221,5.0985,D00990_H01CA02,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600402804,000000010004300001f61ecf9973f5c38d6fffff1f,0,32,143,12,0,43,180,187,-9.823,-5.202999999999999,9,-1.0,,+,31.0417,-,31.0417,https://www.genome.jp/dbget-bin/www_bget?dr:D00990
2971,D00442, Octreotide (USAN/INN), Somatostatin and analogues,H01CB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccccc1)C(=O)N[C@H]([C@H](C)O)CO)[C@H](O)C)CCCC[NH3+],1021.26,0.1868,291.905,386.06,87,13,19,DEQANNDTNATYII-PEJCOGLOSA-P,C49H68N10O10S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/p+2/t28-,29+,34-,36+,37+,38+,39-,40-,41-,42+/m0/s1",-5.3843,-5.3607,-5.3587,-5.3568,-5.3125,-4.8086,2.7796,2.8692,2.9236,3.0219,3.0798,D00442_H01CB02,20264103004204202b8006000000000c000000100004000800008080013804001800509783068023388624384001004001234c000824e00100000002000000100c000c0040001880012844000e88001e00b0014004003008c0080f02800840000c0000200020000000010000801204001007914500011060107a008102000100,0500003c00f201,0338c00044000000000080002a0000400100000000008400000000800000000000004600c02a04,0020000008003100054086cf9971b849956ff7ff1f,0,22,114,7,0,19,139,143,-11.714,-5.537999999999999,10,0.0,0.000307248,-,13.6328,-,13.6328,https://www.genome.jp/dbget-bin/www_bget?dr:D00442
2972,D02250, Octreotide acetate (JAN), Somatostatin and analogues,H01CB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccccc1)C(=O)N[C@H]([C@H](C)O)CO)[C@H](O)C)CCCC[NH3+],1021.26,0.1868,291.905,386.06,87,13,19,DEQANNDTNATYII-PEJCOGLOSA-P,C49H68N10O10S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/p+2/t28-,29+,34-,36+,37+,38+,39-,40-,41-,42+/m0/s1",-5.3818,-5.3745,-5.3716,-5.3681,-5.3666,-5.3568,2.6199,2.6209,2.6419,2.6542,2.7738,D02250_H01CB02,20264103004204202b8006000000000c000000100004000800008080013804001800509783068023388624384001004001234c000824e00100000002000000100c000c0040001880012844000e88001e00b0014004003008c0080f02800840000c0000200020000000010000801204001007914500011060107a008102000100,0500003c00f201,0338c00044000000000080002a0000400100000000008400000000800000000000004600c02a04,0020000008003100054086cf9971b849956ff7ff1f,0,22,114,7,0,19,139,143,-11.714,-5.5360000000000005,10,,0.000305817,-,13.6328,-,13.6328,https://www.genome.jp/dbget-bin/www_bget?dr:D02250
2973,D05230, Octreotide pamoate (USAN), Somatostatin and analogues,H01CB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccccc1)C(=O)N[C@H]([C@H](C)O)CO)[C@H](O)C)CCCC[NH3+],1021.26,0.1868,291.905,386.06,87,13,19,DEQANNDTNATYII-PEJCOGLOSA-P,C49H68N10O10S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/p+2/t28-,29+,34-,36+,37+,38+,39-,40-,41-,42+/m0/s1",-5.3798,-5.3742,-5.3729,-5.3718,-5.3704,-5.3642,2.6892,2.6997,2.7003,2.7255,2.7594,D05230_H01CB02,20264103004204202b8006000000000c000000100004000800008080013804001800509783068023388624384001004001234c000824e00100000002000000100c000c0040001880012844000e88001e00b0014004003008c0080f02800840000c0000200020000000010000801204001007914500011060107a008102000100,0500003c00f201,0338c00044000000000080002a0000400100000000008400000000800000000000004600c02a04,0020000008003100054086cf9971b849956ff7ff1f,0,22,114,7,0,19,139,143,-11.715,-5.537000000000001,10,-2.0,0.000301061,-,13.6328,-,13.6328,https://www.genome.jp/dbget-bin/www_bget?dr:D05230
2974,D06495, Octreotide acetate (USAN), Somatostatin and analogues,H01CB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccccc1)C(=O)N[C@H]([C@H](C)O)CO)[C@H](O)C)CCCC[NH3+],1021.26,0.1868,291.905,386.06,87,13,19,DEQANNDTNATYII-PEJCOGLOSA-P,C49H68N10O10S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/p+2/t28-,29+,34-,36+,37+,38+,39-,40-,41-,42+/m0/s1",-5.3763,-5.3742,-5.3711,-5.3706,-5.3655,-5.3581,2.6218,2.6282,2.6361,2.6661,2.8043,D06495_H01CB02,20264103004204202b8006000000000c000000100004000800008080013804001800509783068023388624384001004001234c000824e00100000002000000100c000c0040001880012844000e88001e00b0014004003008c0080f02800840000c0000200020000000010000801204001007914500011060107a008102000100,0500003c00f201,0338c00044000000000080002a0000400100000000008400000000800000000000004600c02a04,0020000008003100054086cf9971b849956ff7ff1f,0,22,114,7,0,19,139,143,-11.709000000000001,-5.537000000000001,10,1.0,,-,13.6328,-,13.6328,https://www.genome.jp/dbget-bin/www_bget?dr:D06495
2975,D06281, Vapreotide (USAN/INN), Somatostatin and analogues,H01CB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N)Cc1[nH]c2c(c1)cccc2)C(C)C)CCCC[NH3+],1133.39,3.7041,329.694,404.48,91,13,19,GAWXLRUZZFSQON-BBXWKYEUSA-P,C57H72N12O9S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)Cc1cc2c([nH]1)cccc2)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/p+2/t40-,43+,44-,45+,46+,47-,48-,49+/m0/s1",-5.3741,-5.3728,-5.3721,-5.3701,-5.3681,-5.3664,2.7191,2.7508,2.799,2.8193,2.9142,D06281_H01CB04,20264123004204202b8086000400000c000100100004120800008080003804001800509703068020388624384001006001234e00182420000400000e000000000c00040240000281012844000e88001e00b0815004803008c00a0f02800840000c0000200020000200010000201204001007915520011060187a00810a000104,0500000402f201,0700c00044000000000080002e0000400100000000018400000000800000000000004600c02a04,002000000800310005c28ece9861b149956ff7ff1f,0,32,118,8,0,20,152,158,-10.525,-5.501,8,0.0,0.015677306999999998,-,19.0368,-,19.0368,https://www.genome.jp/dbget-bin/www_bget?dr:D06281
2976,D09988, Vapreotide acetate (USAN), Somatostatin and analogues,H01CB04,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12ccccc1[nH]cc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)N[C@@H](C(=O)N1)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N)Cc1[nH]c2c(c1)cccc2)C(C)C)CCCC[NH3+],1133.39,3.7041,329.694,404.48,91,13,19,GAWXLRUZZFSQON-BBXWKYEUSA-P,C57H72N12O9S2++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)Cc1cc2c([nH]1)cccc2)NC(=O)C(Cc1ccccc1)[NH3+])Cc1c[nH]c2c1cccc2,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/p+2/t40-,43+,44-,45+,46+,47-,48-,49+/m0/s1",-5.3763,-5.3742,-5.3734,-5.3712,-5.3604,-5.3599,2.7128,2.7695,2.8223,2.8341,2.9155,D09988_H01CB04,20264123004204202b8086000400000c000100100004120800008080003804001800509703068020388624384001006001234e00182420000400000e000000000c00040240000281012844000e88001e00b0815004803008c00a0f02800840000c0000200020000200010000201204001007915520011060187a00810a000104,0500000402f201,0700c00044000000000080002e0000400100000000018400000000800000000000004600c02a04,002000000800310005c28ece9861b149956ff7ff1f,0,32,118,8,0,20,152,158,-10.525,-5.496,8,2.0,0.015604106000000001,-,19.0368,-,19.0368,https://www.genome.jp/dbget-bin/www_bget?dr:D09988
2977,D10147, Pasireotide (USAN), Somatostatin and analogues,H01CB05,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]1(CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@@H](c2ccccc2)NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCC[NH3+])Cc1c2c([nH]c1)cccc2,1049.22,3.9077,312.845,284.44,84,9,16,VMZMNAABQBOLAK-SLYDMPRXSA-P,C58H68N10O9++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)CC(C2)OC(=O)NCC[NH3+])c1ccccc1)Cc1c[nH]c2c1cccc2,"InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/p+2/t43-,46-,47-,48-,49-,50+,51-/m1/s1",-5.9336,-5.5946,-5.4434,-5.3714,-5.3686,-5.3587,2.6019,2.6298,2.6426,2.6674,2.6986,D10147_H01CB05,202e0000006204e00f0006000003000c2100209000029208023008c0013804001810d09383008033388e3438000100c001020200082ce00000010002000026100c001e02411418c1032b41001a88801f00b0014004203008c0080900800b40000c1000a20120040210400100801214001007814508031020087ac00102000504,0500000070f001,0200c2000400000000008000200000400040000100008400000000000000000000004600c02a04,0000400000002120014016ce9973b1e78d6bef7f1f,0,34,111,7,0,19,145,152,-11.042,-5.501,7,0.0,0.016484657,+,15.6447,-,15.6447,https://www.genome.jp/dbget-bin/www_bget?dr:D10147
2978,D08010, Ganirelix (INN), Anti-gonadotropin-releasing hormones,H01CC01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1ccc2c(c1)cc(cc2)C[C@@H](NC(=O)C)C(=O)N[C@@H](C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCC[NH]=C(NCC)NCC)CCCC[NH]=C(NCC)NCC)CO)Cc1ccc(cc1)Cl,1572.33,8.421,433.651,474.47,146,18,29,LOVWBUVFUBCDRU-PFLSVRRQSA-N,C80H115ClN18O13,CCNC(=[NH]CCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH]=C(NCC)NCC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC,"InChI=1S/C80H115ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,84-89,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1",-11.0231,-10.6536,-10.6493,-10.6462,-9.7955,-9.2024,4.0006,4.1766,4.1919,4.2255,4.3736,D08010_H01CC01,00260200004000200b0006001000400e0000001000001748000000800138040018005093830080233887253800010040010202004824b00004000002000800100c001c0000001880092800003e8c001600b8014014003018c2080900800840000c200020042001021000000080120400100e8105004110200872000142800100,0400001c02b001,0718400100000000000080001e0000400040000000059000000000000000000000004600402804,000000010004300001765ecfdb7ff7c3a57fffff1f,0,29,190,13,0,58,227,232,-10.265,-6.94,10,0.0,,+,36.5817,-,36.5817,https://www.genome.jp/dbget-bin/www_bget?dr:D08010
2979,D04302, Ganirelix acetate (JAN/USAN), Anti-gonadotropin-releasing hormones,H01CC01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1ccc2c(c1)cc(cc2)C[C@@H](NC(=O)C)C(=O)N[C@@H](C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCC[NH]=C(NCC)NCC)CCCC[NH]=C(NCC)NCC)CO)Cc1ccc(cc1)Cl,1572.33,8.421,433.651,474.47,146,18,29,LOVWBUVFUBCDRU-PFLSVRRQSA-N,C80H115ClN18O13,CCNC(=[NH]CCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH]=C(NCC)NCC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC,"InChI=1S/C80H115ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,84-89,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1",-11.1617,-11.1254,-10.7092,-10.3791,-10.3557,-10.0082,4.2125,4.2902,4.3843,4.4042,4.52,D04302_H01CC01,00260200004000200b0006001000400e0000001000001748000000800138040018005093830080233887253800010040010202004824b00004000002000800100c001c0000001880092800003e8c001600b8014014003018c2080900800840000c200020042001021000000080120400100e8105004110200872000142800100,0400001c02b001,0718400100000000000080001e0000400040000000059000000000000000000000004600402804,000000010004300001765ecfdb7ff7c3a57fffff1f,0,29,190,13,0,58,227,232,-10.270999999999999,-7.071000000000001,10,,,+,36.5817,-,36.5817,https://www.genome.jp/dbget-bin/www_bget?dr:D04302
2980,D07665, Cetrorelix (INN), Anti-gonadotropin-releasing hormones,H01CC02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1ccc2c(c1)cc(cc2)C[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCNC(=[NH2])N)CC(C)C)CCCNC(=O)N)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)NC(=O)C,1432.05,6.1465,381.23900000000003,497.84,124,17,30,MKRSOMJLNZRBBN-MHWMIDJBSA-N,C70H93ClN17O14,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCNC(=[NH2])N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C,"InChI=1S/C70H93ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,77,89,91H,8-10,14-16,28-31,33-36,38,73-74H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",-12.7056,-12.6584,-10.9855,-6.207999999999999,-6.1946,-6.1801,3.8333,3.8858,3.886,5.0685,5.1497,D07665_H01CC02,00260200004008a00b0006001000400c0000001000001648000000800138040018005093830080232887253800010040010202000804a00004000002000000100c001c0000001880012800003698001600b8034004003008c2080900800a60000c200020002000021000000080120400100e8105004110200872000102800100,0400001c02b041,0718c00000000000000080001e0000400040040000059000000000000000000000004600402804,000000011004300001765ecfdb7ff5c3a57fffff1f,0,29,158,13,0,50,195,200,-9.401,-5.437,10,0.0,,+,33.2611,-,33.2611,https://www.genome.jp/dbget-bin/www_bget?dr:D07665
2981,D01685, Cetrorelix acetate (JAN/USAN), Anti-gonadotropin-releasing hormones,H01CC02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1ccc2c(c1)cc(cc2)C[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCNC(=[NH2])N)CC(C)C)CCCNC(=O)N)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)NC(=O)C,1432.05,6.1465,381.23900000000003,497.84,124,17,30,MKRSOMJLNZRBBN-MHWMIDJBSA-N,C70H93ClN17O14,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCNC(=[NH2])N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C,"InChI=1S/C70H93ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,77,89,91H,8-10,14-16,28-31,33-36,38,73-74H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",-12.4787,-12.4671,-10.7682,-6.2036,-6.1947,-6.1892,3.7744,3.7808,3.8326,5.0007,5.0403,D01685_H01CC02,00260200004008a00b0006001000400c0000001000001648000000800138040018005093830080232887253800010040010202000804a00004000002000000100c001c0000001880012800003698001600b8034004003008c2080900800a60000c200020002000021000000080120400100e8105004110200872000102800100,0400001c02b041,0718c00000000000000080001e0000400040040000059000000000000000000000004600402804,000000011004300001765ecfdb7ff5c3a57fffff1f,0,29,158,13,0,50,195,200,-9.399,-5.8229999999999995,10,0.0,,+,33.2611,-,33.2611,https://www.genome.jp/dbget-bin/www_bget?dr:D01685
2982,D07967, Fludrocortisone (INN), Mineralocorticoids,H02AA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@]1([C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@](CC2)(C(=O)CO)O)F)C,380.45,1.8737,97.6234,94.83,34,3,5,AAXVEMMRQDVLJB-BULBTXNYSA-N,C21H29FO5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",-3.3095,-2.969,-2.3603,-2.3221,-1.9166,-1.8401,1.4202,1.4411,1.5528,1.6157,1.7778,D07967_H02AA02,0002000000000224000000030000000000000090204040000200000000002000100052000080000180020000000000000120000000204103200000000000000008000800000400000000800028800204005000400000000000801000000000010204000080000000000000000014280000100000000010000000408100000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040407805,000000020002120082084287949d2cc0ad4cb7d71c,1,0,56,3,0,2,56,59,-10.294,-0.149,7,-1.0,0.257721186,-,2.2509,-,2.2509,https://www.genome.jp/dbget-bin/www_bget?dr:D07967
2983,D00986, Fludrocortisone acetate (JP17/USP), Mineralocorticoids,H02AA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@]1([C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@](CC2)(C(=O)COC(=O)C)O)F)C,422.48699999999997,2.4445,107.361,100.9,37,2,6,SYWHXTATXSMDSB-GSLJADNHSA-N,C23H31FO6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F,"InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",-4.4207,-3.303,-2.9981,-2.9733,-2.3174,-1.9155,1.4065,1.4248,1.4333,1.5392,1.6073,D00986_H02AA02,00020002000002240a00000300020000000000902040400002000000000420001400520000800001800a000020000000012000000020410320000080000082000810080000040000000080002880020400d000400000000000801001000000010204000080000000000000004014280000130100000110000000408100000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040407805,000000020002020082084087949d2ce4ad5cb7d71c,1,0,60,4,0,4,61,64,-10.234,-0.23800000000000002,7,-3.0,0.36929932200000004,-,2.7772,-,2.7772,https://www.genome.jp/dbget-bin/www_bget?dr:D00986
2984,D07792, Desoxycortone (INN), Mineralocorticoids,H02AA03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC[C@@]1([C@H](CC2)C(=O)CO)C,330.461,3.6959,95.1728,54.37,33,1,3,ZESRJSPZRDMNHY-YFWFAHHUSA-N,C21H30O3,OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1",-3.3041,-2.9802,-2.3499,-1.8004,-1.5797,-1.1681,0.5222,0.6656,1.013,1.1187,1.4415,D07792_H02AA03,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400001c00a001,1f1800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002008208028414992cc08944b7d71c,0,0,54,3,0,2,54,57,-10.125,-0.037000000000000005,6,0.0,0.46093258299999995,-,1.7584,-,1.7584,https://www.genome.jp/dbget-bin/www_bget?dr:D07792
2985,D03698, Desoxycorticosterone acetate (USP), Mineralocorticoids,H02AA03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)C(=O)COC(=O)C)C)C,372.49800000000005,4.2667,104.91,60.44,36,0,4,VPGRYOFKCNULNK-ACXQXYJUSA-N,C23H32O4,CC(=O)OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1",-4.4237,-3.3033,-2.9942,-2.9838,-1.6349,-1.4834,1.2747,1.2846,1.3867,1.405,1.4405,D03698_H02AA03,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080000040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000100000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008014992ce48958b7d71c,0,0,58,4,0,4,59,62,-10.185,-0.066,6,-1.0,0.578356028,-,2.1871,-,2.1871,https://www.genome.jp/dbget-bin/www_bget?dr:D03698
2986,D03699, Desoxycorticosterone pivalate (USP), Mineralocorticoids,H02AA03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)C(=O)COC(=O)C(C)(C)C)C)C,414.57800000000003,5.2929,119.071,60.44,42,0,4,VVOIQBFMTVCINR-WWMZEODYSA-N,C26H38O4,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)COC(=O)C(C)(C)C)C)C,"InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1",-4.4313,-3.303,-2.9999,-2.9819999999999998,-1.4766,-1.2394,0.9570000000000001,1.122,1.2412,1.3606,1.4472,D03699_H02AA03,00000002000002240200000100020000000000800040400000000000000420001400000000800001800a000020000000010000000020410220000080000082000810080800040000000080000880020400d000400000000000801000000000010204000080000000000000000000080000030100000100000000000140000100,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000004040407805,0000000200000200820a008014992ce48958b7d71c,0,0,67,4,0,5,68,71,-10.187000000000001,-0.067,6,1.0,0.810007393,+,2.8617,-,2.8617,https://www.genome.jp/dbget-bin/www_bget?dr:D03699
2987,D07464, Paramethasone (INN), Glucocorticoids,H02AB05,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CO)O)C)C)O)F)C,392.461,1.7516,101.91799999999999,94.83,34,3,5,MKPDWECBUAZOHP-AFYJWTTESA-N,C22H29FO5,OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1",-3.6344,-2.9632,-2.3648,-2.318,-1.9307,-1.8372,1.3321,1.4108,1.4312,1.4403,1.7857,D07464_H02AB05,00020000000002240000000300000000000000b0204040002000000000002000100810000080000180020000010000000120020000204103000000000000000008000808000400000000800028800204005000400100000000001000000000010204000280000000000000000014280000000800000010000000008102000100,1400007c00a001,1f7900000000010000000000000000000001000000000000000000000000000000004040437804,000000020002120082084287949d0cc0ad5cb3d71c,1,0,56,4,0,2,57,60,-10.367,-0.7140000000000001,9,1.0,0.125121593,-,2.2727,-,2.2727,https://www.genome.jp/dbget-bin/www_bget?dr:D07464
2988,D01229, Paramethasone acetate (JAN/USP), Glucocorticoids,H02AB05,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@H]12[C@H]3[C@@]([C@]([C@@H](C3)C)(C(=O)COC(=O)C)O)(C[C@@H]([C@@H]1[C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)O)C,434.49800000000005,2.3224,111.656,100.9,37,2,6,HYRKAAMZBDSJFJ-LFDBJOOHSA-N,C24H31FO6,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F,"InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1",-4.4382,-3.63,-2.9986,-2.9787,-2.3303,-1.9337,1.3692,1.3782,1.4132,1.4364,1.5422,D01229_H02AB05,00020002000002240a00000300020000000000b02040400020000000000420001408100000800001800a000021000000012002000020410300000080000082000810080800040000000080002880020400d000400100000000001001000000010204000280000000000000004014280000030900000110000000008102000100,1400006c30a005,1f6900000000010000009000000000000001000000000000000000000000000000004040437805,000000020002020082084087949d0ce4ad5cb3d71c,1,0,60,5,0,4,62,65,-10.414000000000001,-0.594,9,0.0,0.186365783,-,2.7953,-,2.7953,https://www.genome.jp/dbget-bin/www_bget?dr:D01229
2989,D07749, Cortisone (INN), Glucocorticoids,H02AB10,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1=O)([C@](CC2)(C(=O)CO)O)C)C,360.444,1.9898,96.5726,91.67,33,2,5,MFYSYFVPBJMHGN-ZPOLXVRWSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",-3.2833,-2.9783,-2.9783,-2.3608,-2.3239,-1.8282,1.0881,1.4223,1.4409999999999998,1.5366,1.7634,D07749_H02AB10,0000000000000224000000810000000000000080004040000000000000002000100000000080000180020000000000000100000200204103200000000000000008000800000400000000800008800204005000400000000000801200000000010204000080000000000000000000080000000000000000000000000100000500,1400005c00a001,1f5800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.279000000000002,-0.133,6,-1.0,0.258708626,-,2.2619,-,2.2619,https://www.genome.jp/dbget-bin/www_bget?dr:D07749
2990,D07749, Cortisone (INN)," Corticosteroids, plain",S01BA03,SENSORY ORGANS,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1=O)([C@](CC2)(C(=O)CO)O)C)C,360.444,1.9898,96.5726,91.67,33,2,5,MFYSYFVPBJMHGN-ZPOLXVRWSA-N,C21H28O5,OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",-3.299,-2.9795,-2.9708,-2.3607,-2.3205,-1.8548,1.0873,1.4284,1.4475,1.4593,1.7537,D07749_S01BA03,0000000000000224000000810000000000000080004040000000000000002000100000000080000180020000000000000100000200204103200000000000000008000800000400000000800008800204005000400000000000801200000000010204000080000000000000000000080000000000000000000000000100000500,1400005c00a001,1f5800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000012008208028794992cc08d4cb7d71c,0,0,53,4,0,2,54,57,-10.279000000000002,-0.133,6,-1.0,0.258708626,-,2.2619,-,2.2619,https://www.genome.jp/dbget-bin/www_bget?dr:D07749
2991,D00973, Cortisone acetate (JP17/USP), Glucocorticoids,H02AB10,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1=O)([C@](CC2)(C(=O)COC(=O)C)O)C)C,402.481,2.5606,106.31,97.74,36,1,6,ITRJWOMZKQRYTA-RFZYENFJSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",-4.4308,-3.2995,-2.9941,-2.99,-2.9824,-2.3286,1.416,1.4261,1.4389,1.5383,1.6652,D00973_H02AB10,00000002000002240a00008100020000000000800040400000000000000420001400000000800001800a000020000000010000020020410320000080000082000810080000040000000080000880020400d000400000000000801201000000010204000080000000000000004000080000030100000100000000000100000500,1400004c30a005,1f4800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce4895cb7d71c,0,0,57,5,0,4,59,62,-10.22,-0.23600000000000002,6,0.0,0.3619591,-,2.9596,-,2.9596,https://www.genome.jp/dbget-bin/www_bget?dr:D00973
2992,D00973, Cortisone acetate (JP17/USP)," Corticosteroids, plain",S01BA03,SENSORY ORGANS,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1=O)([C@](CC2)(C(=O)COC(=O)C)O)C)C,402.481,2.5606,106.31,97.74,36,1,6,ITRJWOMZKQRYTA-RFZYENFJSA-N,C23H30O6,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",-4.4434,-3.3042,-2.9915,-2.9793,-2.9756,-2.331,1.3824,1.4261,1.4379,1.4486,1.5379,D00973_S01BA03,00000002000002240a00008100020000000000800040400000000000000420001400000000800001800a000020000000010000020020410320000080000082000810080000040000000080000880020400d000400000000000801201000000010204000080000000000000004000080000030100000100000000000100000500,1400004c30a005,1f4800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce4895cb7d71c,0,0,57,5,0,4,59,62,-10.22,-0.23600000000000002,6,0.0,0.3619591,-,2.9596,-,2.9596,https://www.genome.jp/dbget-bin/www_bget?dr:D00973
2993,D07230, Prednylidene (INN), Glucocorticoids,H02AB11,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]12([C@@H](CC(=C)[C@@]1(C(=O)CO)O)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)CC1)C)C,372.455,1.7237,101.39299999999999,94.83,33,3,5,WSVOMANDJDYYEY-CWNVBEKCSA-N,C22H28O5,OCC(=O)C1(O)C(=C)CC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1",-3.6433,-3.2714,-2.9647,-2.3461,-1.9142,-1.8338,1.3863,1.4164,1.4436,1.9981,2.0633,D07230_H02AB11,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020010204103000000000000000008000800000400000000800028800204005000400000000008001000400000010204000280000000000000000000280000000800000000000000008102000100,1400007c00a001,1f7800000000010000000000000000000001000000000000000000000000000000004040437804,00000002020012008208028794992cc08d4cb7d71c,0,0,53,5,0,2,55,58,-10.158999999999999,-0.373,7,1.0,0.12127029199999999,-,2.1198,-,2.1198,https://www.genome.jp/dbget-bin/www_bget?dr:D07230
2994,D05729, Rimexolone (USP/INN), Glucocorticoids,H02AB12,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CC)C)C)C)O)C,370.525,4.4965,108.86,54.37,37,1,3,QTTRZHGPGKRAFB-OOKHYKNYSA-N,C24H34O3,CCC(=O)C1(C)C(C)CC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1",-3.6149,-2.977,-1.9161,-1.2268,-0.9174,-0.8741,0.6703,0.7253,0.8195,0.8283,1.0111,D05729_H02AB12,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204001000400000000000001000000000010204000280000000000000000000080000000800000000000000008102000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040437805,00000002000002000208008494892ec08954b7d61c,0,0,60,4,0,2,61,64,-10.151,-0.387,8,0.0,0.447493225,-,2.0932,-,2.0932,https://www.genome.jp/dbget-bin/www_bget?dr:D05729
2995,D05729, Rimexolone (USP/INN)," Corticosteroids, plain",S01BA13,SENSORY ORGANS,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@H]([C@@]2(C(=O)CC)C)C)C)O)C,370.525,4.4965,108.86,54.37,37,1,3,QTTRZHGPGKRAFB-OOKHYKNYSA-N,C24H34O3,CCC(=O)C1(C)C(C)CC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1",-3.641,-2.9861,-2.0497,-1.9188,-1.217,-1.2132,0.727,0.8214,0.9386,0.9526,1.0575,D05729_S01BA13,0000000000000224000000010000000000000080004040000000000000002000100800000080000180020000010000000120020000204102000000000000000008000800000400000000800028800204001000400000000000001000000000010204000280000000000000000000080000000800000000000000008102000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040437805,00000002000002000208008494892ec08954b7d61c,0,0,60,4,0,2,61,64,-10.151,-0.387,8,0.0,0.447493225,-,2.0932,-,2.0932,https://www.genome.jp/dbget-bin/www_bget?dr:D05729
2996,D03671, Deflazacort (USAN/INN), Glucocorticoids,H02AB13,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@]2(N=C(O1)C)C(=O)COC(=O)C)C)O)C,441.517,1.9988,121.23200000000001,102.26,38,1,7,FBHSPRKOSMHSIF-GRMWVWQJSA-N,C25H31NO6,CC(=O)OCC(=O)C12N=C(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C,"InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1",-4.4566,-4.1724,-3.6297,-2.9842,-2.9711,-2.4741,1.3899,1.4102,1.4311,1.5353,1.6175,D03671_H02AB13,0000400200000224060004010002800c200000a40040404000000000000420001408000201800403900a00302100000001200a0000a0c31228000080000aa2000810288000140000002088032880021401f0814000000000a10010000000000102040002c00800100000200020003c0000070984000120000000088102000100,1400002c30a005,1f2800000000010000009000000000000001000000000000000000000000000000004440437805,0000000200000201822804cd95b9fce5895db7ff1d,0,0,61,6,0,4,63,67,-10.23,-0.617,8,,0.18386653100000003,-,3.3205,-,3.3205,https://www.genome.jp/dbget-bin/www_bget?dr:D03671
2997,D03561, Cloprednol (USAN/INN), Glucocorticoids,H02AB14,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)C(=C1)Cl)C)C)(C(=O)CO)O,392.87300000000005,1.9001,101.382,94.83,30,3,5,YTJIBEDMAQUYSZ-FDNPDPBUSA-N,C21H25ClO5,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2C=C(C2=CC(=O)C=CC12C)Cl,"InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1",-3.6246,-2.9794,-2.3541,-2.3337,-1.9299,-1.8213,1.1024,1.4226,1.4471,1.561,1.7866,D03561_H02AB14,002882000000022c000000010100000000050080004240000008000800002000120800000080000b8003000001280000012002008020490320000000000000000c000800000400000000802028800204005040400000000008001000000000010204000280000040010400000000394000000800000000000000048103000300,1400007c00a001,1f7800000000010008000000000000000001000000000000000000000000000000004040436804,000000020000120082084287d49d2cc0ad4cb7d71c,0,0,50,5,0,2,52,55,-9.684,-1.0270000000000001,7,0.0,0.144235447,-,2.1059,-,2.1059,https://www.genome.jp/dbget-bin/www_bget?dr:D03561
2998,D06673, Meprednisone (USP/INN), Glucocorticoids,H02AB15,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)CO)O)C)C)C,372.455,2.0118,100.906,91.67,33,2,5,PIDANAQULIKBQS-RNUIGHNZSA-N,C22H28O5,OCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1",-3.6305,-2.9824,-2.9762,-2.3551,-2.3409999999999997,-2.1936,1.3814,1.4066,1.433,1.5356,1.5643,D06673_H02AB15,0000000000000224000000810000000000000080004040000000000000002000100800000080000180020000010000000100020200204103000000000000000008000800000400000000800008800204005000400000000000001200000000010204000280000000000000000000080000000800000000000000000102000500,1400005c00a001,1f5800000000010000000000000000000001000000000000000000000000000000004040437805,00000002000012008208028714992cc08d5cb7d71c,0,0,53,5,0,2,55,58,-10.262,-0.485,7,1.0,0.156577513,-,2.2787,-,2.2787,https://www.genome.jp/dbget-bin/www_bget?dr:D06673
2999,D03594, Cortivazol (USAN), Glucocorticoids,H02AB17,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c12c(C=C3[C@](C1)([C@@H]1[C@@H](C=C3C)[C@H]3[C@](C[C@@H]1O)([C@]([C@@H](C3)C)(C(=O)COC(=O)C)O)C)C)n(nc2)c1ccccc1,530.655,4.3006,149.158,101.65,44,2,7,RKHQGWMMUURILY-UHRZLXHJSA-N,C32H38N2O5,CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1C2C=C(C2=Cc3c(CC12C)cnn3c1ccccc1)C,"InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1",-4.4741,-4.3808,-2.9905,-2.9725,-2.3288,-1.9384,1.4145,1.4323,1.4394,1.4499,1.5446,D03594_H02AB17,a0040183000006640a00469986020104000000800062420041200040000420011600018321c880a1208a011a304010400120620084214a132000408a000486000e700c08620c00018002a0202888020400f0004004200001c80819010409000002140008202004c003600040400128639007910082030820080214c306000900,1400006c30b005,1f6800000000010000009000000000000000000000009800000000000000000000004640403805,0000000200000a20838c04a794998cefddfdbbff1f,0,11,67,4,0,5,77,82,-8.343,-0.6779999999999999,8,,0.8774251940000001,+,3.9994,-,3.9994,https://www.genome.jp/dbget-bin/www_bget?dr:D03594
3000,D01180, Trilostane (JAN/USAN), Anticorticosteroids,H02CA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1(=C([C@@H]2[C@]3([C@](C1)([C@@H]1[C@@H](CC3)[C@H]3[C@](CC1)([C@H](CC3)O)C)C)O2)O)C#N,329.43300000000005,3.46688,90.2956,76.78,31,2,4,KVJXBPDAXMEYOA-CXANFOAXSA-N,C20H27NO3,N#CC1=C(O)C2C3(C(C1)(C)C1CCC4(C(C1CC3)CCC4O)C)O2,"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",-3.5653,-1.9696,-1.0701,-0.7879,-0.6809,-0.5702,0.5827,0.6057,0.7573,0.7947,0.8529,D01180_H02CA01,90000000000002240000040100420800a0000080004040000004000002142000100000080084000500000010200000002120000018204023200000000000c0000890080005040000000080000000028000800040000200400c005000000000000204000800000102000800008000080020050180000800000000008108000400,0000002d30a011,0fa800000000000080000000000000001000000000000000000000000000000000006cc0404804,00802400000102018208008795892cc00d45b7d01d,0,0,53,1,1,0,51,55,-9.548,0.078,8,0.0,0.22488804199999998,-,5.5828,-,5.5828,https://www.genome.jp/dbget-bin/www_bget?dr:D01180
3001,D01010, Levothyroxine sodium (USP), Thyroid hormones,H03AA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(Oc2c(cc(cc2I)C[C@@H](C(=O)O)[NH3+])I)cc(c(c(c1)I)O)I,777.878,3.8405,126.166,94.4,15,3,4,XUIIKFGFIJCVMT-LBPRGKRZSA-O,C15H12I4NO4+,OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)[NH3+],"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/p+1/t12-/m0/s1",-5.3811,-5.3611,-5.3551,-4.6008,-4.561,-4.4076,1.7937,2.1517,2.3398,2.3652,2.6456,D01010_H03AA01,000400020004200002000600000200040000200000001a0000000080000800001000408140000003002a001840014100010002000821400000000002000000005800080001000801002000024280000400b000480000100840080800000800004000000000000402080000000010000000060100080130a00800004600100000,0500000c92f003,0200c4000400000000008800000000100000000000210000000000000000000000000200c02a04,0000000400002100000040428044016424cce37e1f,0,12,24,1,0,5,36,37,-9.094,-1.246,1,0.0,0.040112972000000004,+,0.3575,-,0.3575,https://www.genome.jp/dbget-bin/www_bget?dr:D01010
3002,D01011, Liothyronine sodium (JP17/USAN), Thyroid hormones,H03AA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(Oc2cc(c(cc2)O)I)c(cc(cc1I)C[C@@H](C(=O)O)[NH3+])I,651.981,3.2359,113.449,94.4,16,3,4,AUYYCJSJGJYCDS-LBPRGKRZSA-O,C15H13I3NO4+,OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)[NH3+],"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/p+1/t12-/m0/s1",-5.388,-5.3777,-5.3541,-4.6264,-4.5408,-4.5215,1.8113,2.1831,2.3295,2.4014,2.7683,D01011_H03AA02,000400020004200002000600000200040000200000001a0000000080000800001000408140000003002a001840014100010002000821400000000002000000005800080001000801002000024280000400b000480000100840080800000800004000000000000402080000000010000000060100080130a00800004600100000,0500000c92f003,0200c4000400000000008800000000100000000000210000000000000000000000000200c02a04,0000000400002100000040428044016424cce37e1f,0,12,24,1,0,5,36,37,-9.096,-1.056,1,4.0,0.009276336,+,0.2832,-,0.2832,https://www.genome.jp/dbget-bin/www_bget?dr:D01011
3003,D07231, Methylthiouracil (INN), Thiouracils,H03BA01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(=S)[nH]c(=O)cc([nH]1)C,142.179,0.7409,37.2134,80.74,8,2,2,HWGBHCRJGXAGEU-UHFFFAOYSA-N,C5H6N2OS,Cc1cc(=O)[nH]c(=S)[nH]1,"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",-4.1239,-3.175,-2.8397,-2.8266,-2.5863,-2.5862,1.2998,1.3078,1.614,1.6380000000000001,1.7638,D07231_H03BA01,a800010000000040000043000440000000000400200000200000008000000000000110004400802000000000000000000000010020004000008000030000000004000c0000000200000050000080000000080060040000002000080000010006000c000000000002004000000000000000060400000100000008000002000000,00000000003001,010000000000000000008000200000004043080000008700000000000000000000000640401800,000000000044108401918108032291410461408a1f,0,6,7,2,0,0,15,15,-9.145,-0.821,0,0.0,0.043097496,-,0.4258,-,0.4258,https://www.genome.jp/dbget-bin/www_bget?dr:D07231
3004,D00562, Propylthiouracil (JP17/USP/INN), Thiouracils,H03BA02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(cc(=O)[nH]c(=S)[nH]1)CCC,170.232,1.385,46.8274,80.74,12,2,2,KNAHARQHSZJURB-UHFFFAOYSA-N,C7H10N2OS,CCCc1cc(=O)[nH]c(=S)[nH]1,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",-4.1204,-3.1763,-2.8417,-2.8274,-2.5869999999999997,-2.5866,1.3001,1.3097,1.6138,1.6384,1.7639,D00562_H03BA02,a800012000000040020043020440000000000400200000200002008000200000100110004400802000000000000400000100010028004000008000070000000004000c0000000200000050000080000800080060048010002000080000098006000c000000000002004001000004000400060440000100000008000002000000,00000000003001,030000000000000000008000200000004043080000008700000000000000000000000640403800,00000000004410840191810e8362b7410461448e1f,0,6,13,2,0,2,21,21,-9.123,-0.784,0,2.0,0.12255950300000001,-,0.5867,-,0.5867,https://www.genome.jp/dbget-bin/www_bget?dr:D00562
3005,D07519, Benzylthiouracil, Thiouracils,H03BA03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1(=O)[C@]2(C(=NC=[NH]1)S2)C[C@@H]1C=CC=CC1,219.283,1.0468,70.5147,78.58,15,1,3,ALIFMDCXJSMDQH-KCJUWKMLSA-N,C11H11N2OS,O=C1[NH]=CN=C2C1(CC1CC=CC=C1)S2,"InChI=1S/C11H11N2OS/c14-9-11(10(15-11)13-7-12-9)6-8-4-2-1-3-5-8/h1-4,7-8,12H,5-6H2/t8-,11+/m1/s1",-6.0826,-4.3582,-3.8344,-3.0993,-1.3736,-1.3630000000000002,1.3684,1.5601,2.0212,2.3544,2.9716,D07519_H03BA03,0000010b000200240100060000000088600000800050636008000114000040801a08200201a34800100601300500040001004200e0600110010000000408000404800000000c00402800061008800304001243701070018083c010088000202400240010000001102101800002008140001c1000400000200000040100000100,0400000000a101,160000000000000000008000000000000000000000000000000000000000000000004440432804,008024000840000002b0810a07a1d0410061612e1d,0,0,23,5,0,2,26,28,-11.663,-7.962999999999999,2,-1.0,1.8714e-05,+,3.0355,-,3.0355,https://www.genome.jp/dbget-bin/www_bget?dr:D07519
3006,D07616, Carbimazole (INN), Sulfur-containing imidazole derivatives,H03BB01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",n1(c(=S)n(cc1)C)C(=O)OCC,186.231,1.5607,47.068000000000005,68.25,13,0,5,CFOYWRHIYXMDOT-UHFFFAOYSA-N,C7H10N2O2S,CCOC(=O)n1ccn(c1=S)C,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",-5.2134,-3.5526,-2.3629,-1.8361,-1.6440000000000001,-1.4398,0.8359,0.8469,0.9288,1.3253,1.5498,D07616_H03BB01,08000100000020400200470000020000000000100000000002000040000040000000000000000021000c001804000080001000002080401000040002200023000c001c00001040000000080000900000008000400880000470000801000100000000000000080002000000004000000000070180000100000000400002000400,00000000303001,010000000000000000000000000000000040080100008a00000000000000000000000640402000,0000400000400084015595900132922700a138ff1b,0,5,15,2,0,3,22,22,-8.165,-0.321,0,0.0,0.003357957,-,0.3278,-,0.3278,https://www.genome.jp/dbget-bin/www_bget?dr:D07616
3007,D00401, Methimazole (USP), Sulfur-containing imidazole derivatives,H03BB02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(=S)n(cc[nH]1)C,114.169,1.0827,30.8787,52.81,7,1,2,PMRYVIKBURPHAH-UHFFFAOYSA-N,C4H6N2S,Cn1cc[nH]c1=S,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",-2.8429,-2.7609,-2.3924,-1.6564,-1.4022,-0.78,0.3483,0.8409,0.9209,1.0884,1.2437,D00401_H03BB02,0800010000000040000047000000000000000000000000000000000000000000000000000000002100000010000000800000000020004000000000020000000004000c00000000000000000000100000000000000880000000000800000100000000000000000002000000004000000000040000000000000000000002000400,00000000003001,000000000000000000000000000000000040080000008e00000000000000000000000640400800,0000000000400084015595900002800300a168a813,0,5,7,1,0,0,13,13,-8.132,0.40299999999999997,0,-2.0,0.0048474979999999996,+,0.4871,-,0.4871,https://www.genome.jp/dbget-bin/www_bget?dr:D00401
3008,D08659," 3,5-Dibromo-L-tyrosine", Other antithyroid preparations,H03BX02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1(cc(c(c(c1)Br)O)Br)C[C@@H](C(=O)O)[NH3+],339.98900000000003,1.1548,64.1819,85.17,12,3,3,COESHZUDRKCEPA-ZETCQYMHSA-O,C9H10Br2NO3+,OC(=O)C(Cc1cc(Br)c(c(c1)Br)O)[NH3+],"InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/p+1/t7-/m0/s1",-5.3784,-5.3619,-5.356,-4.6009,-4.5627,-4.4203,1.7931,2.1507,2.3367,2.3678,2.648,D08659_H03BX02,00040008080000000200060000008005000000000000120000000080000800001000408140000003000a001800010000010002000800400000000002000000000800080000000000010000001280000400b000c00000101840080800000800400000000800000002000000000000000000060100000100200880001000400000,0500000c02f003,0200c0000400000000008800000000100000000000110000000000000000000000000200c02a04,0000000000202100000040428044014424c4e27e1f,0,6,18,1,0,3,25,25,-9.037,-1.005,1,0.0,0.000533823,+,0.1186,-,0.1186,https://www.genome.jp/dbget-bin/www_bget?dr:D08659
3009,D03504, Cinacalcet (USAN), Other anti-parathyroid agents,H05BX01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1c2c(c(cc1)[C@H]([NH2+]CCCc1cc(ccc1)C(F)(F)F)C)cccc2,358.42,5.1158,101.69,16.61,23,1,0,VDHAWDNDOKGFTD-MRXNPFEDSA-O,C22H23F3N+,CC(c1cccc2c1cccc2)[NH2+]CCCc1cccc(c1)C(F)(F)F,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/p+1/t16-/m1/s1",-5.7157,-5.7152,-5.5436,-4.3595,-4.1877,-4.1864,1.5587,1.5606,1.7828,1.8163,2.0133,D03504_H05BX01,00060000000014200a000600000100000000009000000000000000c000000000100040000000000108800018000100000102000000000000000000020000000008000c000004000000000001020800000280004000003008d0080800000800000010002200040000000000000100000000060100000110000002010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000004200e02204,000000000002010000000a0298cf2800200045ad17,3,17,34,0,0,7,49,51,-12.118,-4.079,1,,0.24531427,-,0.8462,-,0.8462,https://www.genome.jp/dbget-bin/www_bget?dr:D03504
3010,D03505, Cinacalcet hydrochloride (JAN/USAN), Other anti-parathyroid agents,H05BX01,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",c1c2c(c(cc1)[C@H]([NH2+]CCCc1cc(ccc1)C(F)(F)F)C)cccc2,358.42,5.1158,101.69,16.61,23,1,0,VDHAWDNDOKGFTD-MRXNPFEDSA-O,C22H23F3N+,CC(c1cccc2c1cccc2)[NH2+]CCCc1cccc(c1)C(F)(F)F,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/p+1/t16-/m1/s1",-5.7202,-5.7085,-5.5761,-4.4175,-4.1921,-4.1846,1.579,1.5866,1.7678,1.8435,2.0111,D03505_H05BX01,00060000000014200a000600000100000000009000000000000000c000000000100040000000000108800018000100000102000000000000000000020000000008000c000004000000000001020800000280004000003008d0080800000800000010002200040000000000000100000000060100000110000002010000000000,0100000000f001,030140010400000000000000000000000000000000000000000000000000000000004200e02204,000000000002010000000a0298cf2800200045ad17,3,17,34,0,0,7,49,51,-12.120999999999999,-4.079,1,,0.24543620600000002,-,0.8462,-,0.8462,https://www.genome.jp/dbget-bin/www_bget?dr:D03505
3011,D00930, Paricalcitol (JAN/USAN/INN), Other anti-parathyroid agents,H05BX02,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](/C=C\[C@H](C)C(O)(C)C)C)C,416.63599999999997,5.5606,127.402,60.69,47,3,3,BPKAHTKRCLCHEA-DCUJIKHJSA-N,C27H44O3,OC1CC(O)CC(=CC=C2CCCC3(C2CCC3C(C=CC(C(O)(C)C)C)C)C)C1,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8-,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",-1.9223,-1.9180000000000001,-1.912,-0.9133,-0.8985,-0.8859999999999999,0.8201,0.8266,0.8886,0.889,0.9242,D00930_H05BX02,000000040000022400000001000000000000008000404000000000000000200012000000008000010000000000000000010000008020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000204000000000000010000000000084000000000000800000000040100000000,0000006c00a001,1f6800000000000000000000000000000000000000000000000000000000000000004040432004,0000000000001200020a008594892cc00d54b7d01c,0,0,73,3,0,5,74,76,-8.875,0.34700000000000003,7,,0.9122350220000001,+,1.8363,-,1.8363,https://www.genome.jp/dbget-bin/www_bget?dr:D00930
3012,D01009, Doxercalciferol (INN), Other anti-parathyroid agents,H05BX03,"SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS",C1C/C(=C\C=C/2\C[C@H](C[C@@H](C2=C)O)O)/[C@H]2[C@](C1)([C@H](CC2)[C@@H](/C=C/[C@H](C)C(C)C)C)C,412.648,6.6118,130.536,40.46,46,2,2,HKXBNHCUPKIYDM-CGMHZMFXSA-N,C28H44O2,OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(C=CC(C(C)C)C)C)C)C1,"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1",-2.8716,-1.9163,-1.3375,-0.9136,-0.8881,-0.7264,0.8188,0.8225,0.8885,1.0451,1.2392,D01009_H05BX03,000000040000822400000001000000000000008000404000000000000000200012000000008000010000000000000000010000009020400300000000000000000c000800040400000000800200000200000000400002000008001000000000000204000000000000010000000000084000000000000000000000048100040000,0000002c00a001,1f2800000000000000000000000000000000000000000000000000000000000000004040432004,0000000002001200020a008594892cc00d54b5d01c,0,0,72,4,0,5,74,76,-8.437000000000001,-0.098,7,,0.961980462,-,1.6455,-,1.6455,https://www.genome.jp/dbget-bin/www_bget?dr:D01009
3013,D06884, Lymecycline (INN), Tetracyclines,J01AA04,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)[C@@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)NC[NH2+]CCCC[C@H]([NH3+])C(=O)O)O)[NH+](C)C)O)O)C2=O)(C)O)O,605.6569999999999,-3.2234,155.015,250.38,51,10,11,AHEVKYYGXVEWNO-UEPZRUIBSA-Q,C29H41N4O10+++,[NH3+]C(C(=O)O)CCCC[NH2+]CNC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/p+3/t14-,15-,16-,21-,28+,29-/m0/s1",-7.1115,-6.0102,-5.9123,-5.7319,-5.7094,-5.7058,2.5803,2.5805,2.6288,2.9124,3.4931,D06884_J01AA04,000ec10000000af40340060002400004800000900042400001460088003021001400540080c00007f00f035800054000012a03005020e50020055002004e002008210800240400000000a1032a91029c40f8414000023008ca88d80140090491032e0028c500000203c08240c00039000a0e3100021b9022088800cb30000700,1500004d02f003,0748c00204000100800088000a000010c001000000010000000000000000000000004240c07a04,0000000a00043300821a3a5f9de939c695feffff1f,0,6,75,6,0,11,84,87,-12.107000000000001,-6.699,6,0.0,3.00123e-08,+,5.0543,-,5.0543,https://www.genome.jp/dbget-bin/www_bget?dr:D06884
3014,D04972, Methacycline (USAN), Tetracyclines,J01AA05,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)C(=C)[C@@H]1C(=C([C@]3([C@@H]([C@H]1O)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)O,443.42699999999996,-1.1547,111.911,182.82,32,7,9,MHIGBKBJSQVXNH-IWVLMIASSA-O,C22H23N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(=C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/p+1/t10-,14-,15+,17+,22+/m1/s1",-5.999,-5.6882,-5.2372,-4.6257,-4.5873,-4.2119,2.1002,2.2281,2.3961,2.4730000000000003,2.9184,D04972_J01AA05,000ec100000002b402410680024040048000009040624000016400880010200014085400c0c00007d007021801015000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110008203a08240800039208a063100021b9022088800c330000700,1500006d02f001,14684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000202003300820a385915a1114294ecfbfa1f,0,6,46,6,0,2,55,58,-11.404000000000002,-4.746,5,1.0,0.0027106709999999996,+,3.1715,-,3.1715,https://www.genome.jp/dbget-bin/www_bget?dr:D04972
3015,D00849, Methacycline hydrochloride (JAN/USP), Tetracyclines,J01AA05,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)C(=C)[C@@H]1C(=C([C@]3([C@@H]([C@H]1O)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)O,443.42699999999996,-1.1547,111.911,182.82,32,7,9,MHIGBKBJSQVXNH-IWVLMIASSA-O,C22H23N2O8+,NC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2O)C(=C)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/p+1/t10-,14-,15+,17+,22+/m1/s1",-5.9896,-5.7092,-5.2275,-4.6252,-4.6065,-4.213,2.1073,2.228,2.4119,2.4842,2.91,D00849_J01AA05,000ec100000002b402410680024040048000009040624000016400880010200014085400c0c00007d007021801015000012a03001020e501200110020046002008210800240400000000a1032a81029c40d0414000023008ca88d80040090491030e0028c110008203a08240800039208a063100021b9022088800c330000700,1500006d02f001,14684002040001008000800006000000c001000000010000000000000000000000004240c07a04,0000000202003300820a385915a1114294ecfbfa1f,0,6,46,6,0,2,55,58,-11.402999999999999,-4.746,5,1.0,0.002716795,+,3.1715,-,3.1715,https://www.genome.jp/dbget-bin/www_bget?dr:D00849
3016,D02282, Rolitetracycline (JAN/USAN/INN), Tetracyclines,J01AA09,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)[C@@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)NC[NH+]1CCCC1)O)[NH+](C)C)O)O)C2=O)(C)O)O,529.582,-0.4043,141.265,173.27,44,8,9,HMEYVGGHISAPJR-IAHYZSEUSA-P,C27H35N3O8++,O=C(C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O)NC[NH+]1CCCC1,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/p+2/t14-,15-,20-,26+,27-/m0/s1",-7.4833,-6.0484,-6.011,-5.9138,-5.7852,-4.7419,2.3481,2.5762,2.6294,2.7146,2.9261,D02282_J01AA09,000ec10000000af40340060002400004800000900042400001460088003021001400540080c00007f007035800054000012a03005020e50020055002004e002008210800240400000000a1032a91029c40d8414000023008ca88d80140090491032e0028c500000213c08240c00039000a0e3100021b9022088800cb30000700,1500004d02f001,0748400204000100800080000a000000c001000000010000000000000000000000004640c07a04,0000000a00043300821e36df9de939c395ffffff1f,0,6,66,5,0,5,73,77,-12.821,-6.757000000000001,5,-1.0,8.208280000000001e-07,+,4.0455,-,4.0455,https://www.genome.jp/dbget-bin/www_bget?dr:D02282
3017,D01486, Rolitetracycline nitrate (JAN/USAN), Tetracyclines,J01AA09,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)[C@@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)NC[NH+]1CCCC1)O)[NH+](C)C)O)O)C2=O)(C)O)O,529.582,-0.4043,141.265,173.27,44,8,9,HMEYVGGHISAPJR-IAHYZSEUSA-P,C27H35N3O8++,O=C(C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O)NC[NH+]1CCCC1,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/p+2/t14-,15-,20-,26+,27-/m0/s1",-7.4558,-6.0525,-6.0286,-5.9315,-5.7583,-4.723,2.4128,2.5645,2.585,2.6358,2.886,D01486_J01AA09,000ec10000000af40340060002400004800000900042400001460088003021001400540080c00007f007035800054000012a03005020e50020055002004e002008210800240400000000a1032a91029c40d8414000023008ca88d80140090491032e0028c500000213c08240c00039000a0e3100021b9022088800cb30000700,1500004d02f001,0748400204000100800080000a000000c001000000010000000000000000000000004640c07a04,0000000a00043300821e36df9de939c395ffffff1f,0,6,66,5,0,5,73,77,-12.825999999999999,-6.757999999999999,5,0.0,8.196540000000001e-07,+,4.0455,-,4.0455,https://www.genome.jp/dbget-bin/www_bget?dr:D01486
3018,D07233, Penimepicycline (INN), Tetracyclines,J01AA10,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1)[C@@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)NC[N@@H+]1CC[N@@H+](CC1)CCO)O)[NH+](C)C)O)O)C2=O)(C)O)O,589.6569999999999,-1.7381,159.814,197.94,51,10,10,XATZHCXBMKRRDO-REHNUXHNSA-Q,C29H41N4O9+++,OCC[NH+]1CC[NH+](CC1)CNC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2)O,"InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/p+3/t16-,17-,22-,28+,29-/m0/s1",-7.3668,-6.0357,-6.0206,-5.9711,-5.9111,-5.7114,2.5925,2.6355,2.8896,3.3178,4.2471,D07233_J01AA10,000ec10000000af4034006000240000c8000009000424000014600880030210014005402a0c00007f007037800054000012a03005020e50020055002104e003008210800240410000020a1032ab1029c40d8414000023008ca88da0140090491032e0028c500000203c08240c00039000a0e3104021b9022088800cb30000700,1500005d02f001,0758400204000100800080000a000000c001000000010000000000000000000000004640c07a04,0000000a00043300825e325f9ff9b9c39dffffff1f,0,6,76,5,0,7,83,87,-13.977,-10.475,5,0.0,9.3215e-10,+,4.5707,-,4.5707,https://www.genome.jp/dbget-bin/www_bget?dr:D07233
3019,D06885, Clomocycline (INN), Tetracyclines,J01AA11,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(c2c(c1Cl)[C@@]([C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)NCO)O)[NH+](C)C)O)O)C2=O)(C)O)O,509.914,-1.0065,122.54899999999999,189.06,36,8,10,GJGDLRSSCNAKGL-KMVLDZISSA-O,C23H26ClN2O9+,OCNC(=O)C1=C(O)C([NH+](C)C)C2C(C1=O)(O)C(=C1C(C2)C(C)(O)c2c(C1=O)c(O)ccc2Cl)O,"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/p+1/t8-,9-,16-,22-,23-/m0/s1",-6.0056,-5.7323,-4.775,-4.6318,-4.606,-4.2498,2.2013,2.2285,2.2582,2.6044,2.6465,D06885_J01AA11,000ec300000002f40348060002400014800000900042500001460088007020003400540080c00007f007029800154040012a03001020e50020015002004e00a008211800240400800000a1032e89029ec0d8414000023008ca88d800400b0491030e0028c100000603c08240800039000a063100021b902a088800cf30800700,1500004d02f001,0748400204000100830080000a000000c001000000050000000000000000000000004240c07a04,0000000a00043300820a725f5dbd1942b4fcfbff1f,0,6,53,5,0,4,61,64,-11.642999999999999,-4.461,5,0.0,0.0037755209999999996,+,3.8289,-,3.8289,https://www.genome.jp/dbget-bin/www_bget?dr:D06885
3020,D01079, Tigecycline (JAN/USAN), Tetracyclines,J01AA12,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(c(c2c(c1N(C)C)C[C@@H]1C(=C([C@]3([C@@H](C1)[C@@H](C(=C(C3=O)C(=O)N)O)[NH+](C)C)O)O)C2=O)O)NC(=O)C[NH2+]C(C)(C)C,587.665,-1.1568,157.469,211.54,52,8,11,FPZLLRFZJZRHSY-HJYUBDRYSA-P,C29H41N5O8++,O=C(Nc1cc(N(C)C)c2c(c1O)C(=O)C1=C(O)C3(C(CC1C2)C([NH+](C)C)C(=C(C3=O)C(=O)N)O)O)C[NH2+]C(C)(C)C,"InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+2/t12-,14-,21-,29-/m0/s1",-6.0612,-5.8016,-5.6825,-5.6807,-5.2499,-4.8133,2.1814,2.349,2.6009,2.7955,2.9161,D01079_J01AA12,000ec120804802b40340060002c0c02c80100090404644200144108800102c001680540280e00027d007023800015044012a03001820e5082001100200c60420086108106404020000a8b1032a81029e40f041400402b808da8ad80040094491030e0008c1080003038082408000390c0a063144321b9062088800c332400700,1500004d02f021,0748400305000100800080000e000000c001000000010000000000000000000000004240c07a04,000000020000330082ca3a5f9de91942dcfcfbff1f,0,6,74,6,0,8,83,86,-12.755999999999998,-5.82,4,-1.0,4.1109e-06,+,5.8198,-,5.8198,https://www.genome.jp/dbget-bin/www_bget?dr:D01079
3021,D01407, Thiamphenicol (JAN/USAN/INN), Amphenicols,J01BA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)[C@H]([C@H](NC(=O)C(Cl)Cl)CO)O)S(=O)(=O)C,356.222,1.876,78.6473,112.08,21,3,6,OTVAEFIXJLOWRX-NXEZZACHSA-N,C12H15Cl2NO5S,OCC(C(c1ccc(cc1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl,"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1",-7.7425,-7.7293,-4.337,-3.8239,-3.784,-2.8977,1.5773,2.3995,2.4391,2.4747,2.6324,D01407_J01BA02,2006030000000040030006000400000420000000000000000000008840000000190040894000800320073418000100800122000000004001000100020000003408000800000020800000010002800000008000600020300840080800800900000400000000000000004000008000000000069100000112000052800050000400,0400003c00b101,8038000000000000000080000a0000000000000000000000800000000000000000000240402805,000000000000749e0401835be0f41008a60ccaff1f,0,6,27,3,0,7,36,36,-10.482999999999999,-1.6440000000000001,2,0.0,0.058500547,-,0.6812,-,0.6812,https://www.genome.jp/dbget-bin/www_bget?dr:D01407
3022,D08582, Thiamphenicol glycinate acetylcysteinat, Amphenicols,J01BA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(cc1)S(=O)(=O)C)[C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)[C@H](C(=O)N[C@@H](CSC)C=O)[NH3+])O,559.461,0.475,127.177,217.26,37,4,11,XJPDHYDVUWVXIF-REBRKWNGSA-O,C19H26Cl2N3O8S2+,CSCC(NC(=O)C(C(=O)OCC(C(c1ccc(cc1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl)[NH3+])C=O,"InChI=1S/C19H25Cl2N3O8S2/c1-33-9-11(7-25)23-17(27)14(22)19(29)32-8-13(24-18(28)16(20)21)15(26)10-3-5-12(6-4-10)34(2,30)31/h3-7,11,13-16,26H,8-9,22H2,1-2H3,(H,23,27)(H,24,28)/p+1/t11-,13-,14+,15-/m1/s1",-7.7828,-7.7088,-5.3870000000000005,-5.3789,-5.3526,-5.0802,2.6192,2.6561,2.679,3.3543,3.4309,D08582_J01BA02,20060303004000600b0006000402000c210000000040800000000088411600301900408fc0008013200f343820010080012340001000c0010001000200002634081008000810208001010d000280011a00b000600020300840480e0380090000040000000000000000402000c000040000079188000312200852800050000400,0d00002c30f105,8028c10014800000000090000a0000000000000000000000800000000000000000000240c02a05,000000000000659e0441a15fe1f4142ca62edaff1f,0,6,48,6,0,16,60,60,-11.519,-4.971,4,0.0,0.002697619,-,2.572,-,2.572,https://www.genome.jp/dbget-bin/www_bget?dr:D08582
3023,D08583, Thiamphenicol aminoacetate hydrochlorid, Amphenicols,J01BA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)[C@H]([C@H](NC(=O)C(Cl)Cl)COC(=O)C[NH3+])O)S(=O)(=O)C,414.281,0.6688,92.3496,145.79,26,3,7,AMGKHLVPQHMHGQ-ZYHUDNBSSA-O,C14H19Cl2N2O6S+,[NH3+]CC(=O)OCC(C(c1ccc(cc1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl,"InChI=1S/C14H18Cl2N2O6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21)/p+1/t10-,12-/m1/s1",-7.746,-7.7102,-5.377999999999999,-5.3732,-5.3651,-4.5978,2.3909,2.5048,2.5226,2.6265,3.4138,D08583_J01BA02,20060300000000400b00060004020004210000000000800000000088400400301900408940008013200f341820010080012200000000400100010002000006340810080008102080000001000280000000a00060002030084008080180090000040000000000000000400000c000000000079180000312000852800050000400,0500002c30f105,8028c00004000000000090000a0000000000000000000000800000000000000000000240c02a05,000000000000659e0401835fe8f4102caf2ecaff1f,0,6,34,4,0,10,44,44,-13.163,-4.754,2,1.0,0.000128622,-,0.9497,-,0.9497,https://www.genome.jp/dbget-bin/www_bget?dr:D08583
3024,D00204, Ampicillin (USP/INN), Penicillins with extended spectrum,J01CA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7883,-5.3925,-5.3892,-5.357,-4.5552,-4.4276,2.2337,2.3488,2.369,2.4524,2.5935,D00204_J01CA01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.697,-1.555,4,,0.00015991899999999998,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D00204
3025,D00204, Ampicillin (USP/INN), Antibiotics,S01AA19,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7667,-5.3986,-5.3861,-5.3514,-4.5457,-4.4298,2.2295,2.3555,2.3701,2.4546,2.6506,D00204_S01AA19,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.697,-1.555,4,,0.00015991899999999998,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D00204
3026,D01251, Ampicillin hydrate (JP17), Penicillins with extended spectrum,J01CA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7962,-5.3931,-5.3902,-5.3628,-4.5474,-4.4308,2.2327,2.3454,2.3708,2.4479,2.6014,D01251_J01CA01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.696000000000001,-1.557,4,,0.000160318,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D01251
3027,D01251, Ampicillin hydrate (JP17), Antibiotics,S01AA19,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7915,-5.3927,-5.3876,-5.3633,-4.5534,-4.4291,2.2326,2.3476,2.37,2.4528,2.6019,D01251_S01AA19,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.696000000000001,-1.557,4,,0.000160318,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D01251
3028,D02119, Ampicillin sodium (JP17/USP), Penicillins with extended spectrum,J01CA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7933,-5.3954,-5.3768,-5.3741,-4.5404,-4.4351,2.2292,2.3477,2.3719,2.4495,2.6122,D02119_J01CA01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.697,-1.555,4,,0.00015991899999999998,-,2.0481,-,2.0481,https://www.genome.jp/dbget-bin/www_bget?dr:D02119
3029,D02119, Ampicillin sodium (JP17/USP), Antibiotics,S01AA19,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7923,-5.3916,-5.3801,-5.3745,-4.5492,-4.4284,2.2312,2.3456,2.3702,2.4508,2.6004,D02119_S01AA19,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.697,-1.555,4,,0.00015991899999999998,-,2.0481,-,2.0481,https://www.genome.jp/dbget-bin/www_bget?dr:D02119
3030,D07570, Ampicillin benzathine, Penicillins with extended spectrum,J01CA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7802,-5.3938,-5.3864,-5.3616,-4.5493,-4.4298,2.233,2.3523,2.3693,2.4543,2.5979,D07570_J01CA01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.695,-1.56,4,0.0,0.000160031,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D07570
3031,D07570, Ampicillin benzathine, Antibiotics,S01AA19,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7906,-5.3961,-5.3858,-5.3594,-4.5467,-4.4305,2.2326,2.3486,2.3708,2.4497,2.6227,D07570_S01AA19,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.695,-1.56,4,0.0,0.000160031,-,2.0706,-,2.0706,https://www.genome.jp/dbget-bin/www_bget?dr:D07570
3032,D08396, Pivampicillin (INN), Penicillins with extended spectrum,J01CA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],464.555,0.9355,123.20200000000001,154.95,39,2,9,ZEMIJUDPLILVNQ-ZXFNITATSA-O,C22H30N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C(C)(C)C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/p+1/t13-,14-,15+,18-/m1/s1",-5.7337,-5.3986,-5.3878,-5.3516,-4.4284,-4.4183,2.2089,2.2178,2.2406,2.3472,2.5417,D08396_J01CA02,8026018310602420230006000212000c010000240040800020000080001200001800408703070013008e2138000000400903400010804040000200024004421408006800011018c001210c0006e8010f00b004400100200860480e0a8000200008300008001a20000000000080000000400f310c604316200070004600000000,0500000030f105,0900c10004000000030090002a0000400100000000000000000000000000000000004600c02a04,8004040808402100024295c901b9906794797aff1f,0,6,54,4,0,10,62,64,-12.054,-4.3389999999999995,4,0.0,0.0032885220000000003,+,3.8869,-,3.8869,https://www.genome.jp/dbget-bin/www_bget?dr:D08396
3033,D02508, Pivampicillin hydrochloride (USAN), Penicillins with extended spectrum,J01CA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],464.555,0.9355,123.20200000000001,154.95,39,2,9,ZEMIJUDPLILVNQ-ZXFNITATSA-O,C22H30N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C(C)(C)C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/p+1/t13-,14-,15+,18-/m1/s1",-5.7714,-5.3953,-5.3866,-5.3588,-4.4213,-4.4154,2.2262,2.2384,2.2504,2.3457,2.6065,D02508_J01CA02,8026018310602420230006000212000c010000240040800020000080001200001800408703070013008e2138000000400903400010804040000200024004421408006800011018c001210c0006e8010f00b004400100200860480e0a8000200008300008001a20000000000080000000400f310c604316200070004600000000,0500000030f105,0900c10004000000030090002a0000400100000000000000000000000000000000004600c02a04,8004040808402100024295c901b9906794797aff1f,0,6,54,4,0,10,62,64,-12.052,-4.338,4,,0.00328688,+,3.8869,-,3.8869,https://www.genome.jp/dbget-bin/www_bget?dr:D02508
3034,D05520, Pivampicillin pamoate (USAN), Penicillins with extended spectrum,J01CA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],464.555,0.9355,123.20200000000001,154.95,39,2,9,ZEMIJUDPLILVNQ-ZXFNITATSA-O,C22H30N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C(C)(C)C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/p+1/t13-,14-,15+,18-/m1/s1",-5.7843,-5.3989,-5.3794,-5.3599,-4.4212,-4.4163,2.2289,2.2436,2.2626,2.3452,2.5804,D05520_J01CA02,8026018310602420230006000212000c010000240040800020000080001200001800408703070013008e2138000000400903400010804040000200024004421408006800011018c001210c0006e8010f00b004400100200860480e0a8000200008300008001a20000000000080000000400f310c604316200070004600000000,0500000030f105,0900c10004000000030090002a0000400100000000000000000000000000000000004600c02a04,8004040808402100024295c901b9906794797aff1f,0,6,54,4,0,10,62,64,-12.050999999999998,-4.3389999999999995,4,0.0,0.0032787259999999996,+,3.8869,-,3.8869,https://www.genome.jp/dbget-bin/www_bget?dr:D05520
3035,D05521, Pivampicillin probenate (USAN), Penicillins with extended spectrum,J01CA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],464.555,0.9355,123.20200000000001,154.95,39,2,9,ZEMIJUDPLILVNQ-ZXFNITATSA-O,C22H30N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C(C)(C)C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/p+1/t13-,14-,15+,18-/m1/s1",-5.7611,-5.4055,-5.3815,-5.3738,-4.425,-4.4224,2.2430000000000003,2.2704,2.2741,2.3193,2.6455,D05521_J01CA02,8026018310602420230006000212000c010000240040800020000080001200001800408703070013008e2138000000400903400010804040000200024004421408006800011018c001210c0006e8010f00b004400100200860480e0a8000200008300008001a20000000000080000000400f310c604316200070004600000000,0500000030f105,0900c10004000000030090002a0000400100000000000000000000000000000000004600c02a04,8004040808402100024295c901b9906794797aff1f,0,6,54,4,0,10,62,64,-12.052,-4.3389999999999995,4,-2.0,0.003284113,+,3.8869,-,3.8869,https://www.genome.jp/dbget-bin/www_bget?dr:D05521
3036,D07614, Carbenicillin (INN), Penicillins with extended spectrum,J01CA03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)O)c1ccccc1,378.4,0.8153,96.4353,149.31,25,3,9,FPPNZSSZRUTDAP-BBGACYKPSA-N,C17H18N2O6S,O=C(C(c1ccccc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10+,11-,14+/m0/s1",-4.5603,-4.5384,-4.4307,-4.4127,-3.8899,-3.8876,2.225,2.3556,2.3706,2.3761,2.4142,D07614_J01CA03,8026018310600020230006000010000c000000000040000020000080011200001800408781070003000e203800000040090340001000c000000200020004001c0800480001001cc001210c0006e0011f00b004400100200840480e0a80010000080000000012200000000000c00000004006310c604316200070004600000000,0400000c00b103,0500010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1f,0,6,36,4,0,6,44,46,-2.489,5.486000000000001,4,1.0,1.36826e-09,-,2.5431,-,2.5431,https://www.genome.jp/dbget-bin/www_bget?dr:D07614
3037,D02190, Carbenicillin disodium (USP), Penicillins with extended spectrum,J01CA03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)O)c1ccccc1,378.4,0.8153,96.4353,149.31,25,3,9,FPPNZSSZRUTDAP-BBGACYKPSA-N,C17H18N2O6S,O=C(C(c1ccccc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10+,11-,14+/m0/s1",-4.5482,-4.5474,-4.4264,-4.413,-3.9059,-3.8982,2.2377,2.3604,2.3632,2.3744,2.3864,D02190_J01CA03,8026018310600020230006000010000c000000000040000020000080011200001800408781070003000e203800000040090340001000c000000200020004001c0800480001001cc001210c0006e0011f00b004400100200840480e0a80010000080000000012200000000000c00000004006310c604316200070004600000000,0400000c00b103,0500010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1f,0,6,36,4,0,6,44,46,-2.489,5.4879999999999995,4,,1.3696e-09,-,2.5134,-,2.5134,https://www.genome.jp/dbget-bin/www_bget?dr:D02190
3038,D03387, Carbenicillin potassium (USAN), Penicillins with extended spectrum,J01CA03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)O)c1ccccc1,378.4,0.8153,96.4353,149.31,25,3,9,FPPNZSSZRUTDAP-BBGACYKPSA-N,C17H18N2O6S,O=C(C(c1ccccc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10+,11-,14+/m0/s1",-4.5578,-4.551,-4.4247,-4.4146,-3.8978,-3.8946,2.2307,2.3676,2.3695,2.3707,2.4108,D03387_J01CA03,8026018310600020230006000010000c000000000040000020000080011200001800408781070003000e203800000040090340001000c000000200020004001c0800480001001cc001210c0006e0011f00b004400100200840480e0a80010000080000000012200000000000c00000004006310c604316200070004600000000,0400000c00b103,0500010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1f,0,6,36,4,0,6,44,46,-2.489,5.485,4,,1.36848e-09,-,2.5229,-,2.5229,https://www.genome.jp/dbget-bin/www_bget?dr:D03387
3039,D07452, Amoxicillin (INN), Penicillins with extended spectrum,J01CA04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],366.412,-0.3643,95.8446,159.88,27,4,8,LSQZJLSUYDQPKJ-NJBDSQKTSA-O,C16H20N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p+1/t9-,10-,11+,14-/m1/s1",-5.7835,-5.3944,-5.3878,-5.355,-4.5504,-4.4279,2.2267,2.3548,2.3729,2.4477,2.5969,D07452_J01CA04,8026018310600420230006000010000c000000000040320020000080001200001800408703070003008e2038000000400903420010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200200000000800000004006310c604316200870004600000000,0500000c02f103,0100c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,8004040008402100024295c801a19147946dfafa1f,0,6,38,3,0,5,45,47,-7.675,-1.537,4,1.0,7.93682e-05,-,2.1371,-,2.1371,https://www.genome.jp/dbget-bin/www_bget?dr:D07452
3040,D00229, Amoxicillin (USP), Penicillins with extended spectrum,J01CA04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],366.412,-0.3643,95.8446,159.88,27,4,8,LSQZJLSUYDQPKJ-NJBDSQKTSA-O,C16H20N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p+1/t9-,10-,11+,14-/m1/s1",-5.7893,-5.3908,-5.3899,-5.359,-4.5541,-4.4349,2.2283,2.3477,2.3717,2.455,2.5272,D00229_J01CA04,8026018310600420230006000010000c000000000040320020000080001200001800408703070003008e2038000000400903420010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200200000000800000004006310c604316200870004600000000,0500000c02f103,0100c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,8004040008402100024295c801a19147946dfafa1f,0,6,38,3,0,5,45,47,-7.675,-1.536,4,,7.93659e-05,-,2.1371,-,2.1371,https://www.genome.jp/dbget-bin/www_bget?dr:D00229
3041,D02925, Amoxicillin sodium (USAN), Penicillins with extended spectrum,J01CA04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],366.412,-0.3643,95.8446,159.88,27,4,8,LSQZJLSUYDQPKJ-NJBDSQKTSA-O,C16H20N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p+1/t9-,10-,11+,14-/m1/s1",-5.7707,-5.4006,-5.3744,-5.3618,-4.5476,-4.4305,2.2281,2.3524,2.3712,2.4525,2.6591,D02925_J01CA04,8026018310600420230006000010000c000000000040320020000080001200001800408703070003008e2038000000400903420010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200200000000800000004006310c604316200870004600000000,0500000c02f103,0100c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,8004040008402100024295c801a19147946dfafa1f,0,6,38,3,0,5,45,47,-7.675,-1.537,4,,7.93364e-05,-,2.1134,-,2.1134,https://www.genome.jp/dbget-bin/www_bget?dr:D02925
3042,D07621, Carindacillin (INN), Penicillins with extended spectrum,J01CA05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)Oc1cc2c(cc1)CCC2)c1ccccc1,494.559,2.825,133.501,138.31,34,2,9,JIRBAUWICKGBFE-FAKFISEUSA-N,C26H26N2O6S,O=C(C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18-,19+,20-,23+/m0/s1",-4.5636,-4.4177,-4.4167,-3.8932,-3.8925,-3.7883,2.0398,2.1242,2.2341,2.3676,2.3747,D07621_J01CA05,c026019310600020230006000012000c0000000000401200200000800112000018004087a1470013000e203800010040090342001000c804000200020004221c08204a0001001dc181312c2006e2811f00b004400100300840480e0a80090000480000000012240200002042c01000004006310c6a4316200870004700100004,0400000c50b107,0700010000000000030098002a0000800000000000000000000000000000000000004600402805,8004040008400000024295c911a1b16795edfffa1f,0,12,49,4,0,8,61,65,-4.754,1.933,4,0.0,0.029416493999999998,+,4.3313,-,4.3313,https://www.genome.jp/dbget-bin/www_bget?dr:D07621
3043,D01283, Carbenicillin indanyl sodium (USP), Penicillins with extended spectrum,J01CA05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)Oc1cc2c(cc1)CCC2)c1ccccc1,494.559,2.825,133.501,138.31,34,2,9,JIRBAUWICKGBFE-FAKFISEUSA-N,C26H26N2O6S,O=C(C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18-,19+,20-,23+/m0/s1",-4.5608,-4.4186,-4.4186,-3.8978,-3.8894,-3.7935,2.0444,2.1816,2.2348,2.3553,2.3757,D01283_J01CA05,c026019310600020230006000012000c0000000000401200200000800112000018004087a1470013000e203800010040090342001000c804000200020004221c08204a0001001dc181312c2006e2811f00b004400100300840480e0a80090000480000000012240200002042c01000004006310c6a4316200870004700100004,0400000c50b107,0700010000000000030098002a0000800000000000000000000000000000000000004600402805,8004040008400000024295c911a1b16795edfffa1f,0,12,49,4,0,8,61,65,-4.752,1.931,4,,0.027516205,+,4.2887,-,4.2887,https://www.genome.jp/dbget-bin/www_bget?dr:D01283
3044,D07487, Bacampicillin (INN), Penicillins with extended spectrum,J01CA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O[C@H](OC(=O)OCC)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],466.528,0.9078,120.12899999999999,164.18,38,2,10,PFOLLRNADZZWEX-OIKQGAJOSA-O,C21H28N3O7S+,CCOC(=O)OC(OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)C(c1ccccc1)[NH3+])C,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/p+1/t11-,13-,14-,15+,18-/m1/s1",-5.8418,-5.8115,-5.4084,-5.3762,-5.3726,-4.4252,2.2294,2.2461,2.4059,2.4293,2.9786,D07487_J01CA06,8026018310602420230006000212000c010000240040800020000080001600001800508703070013108e2538200000400903400010804040000200024004421408106800091018c001210c0006e8010f00b0054001002008e0480e0a8000200008300008001a20000000000080000000400f318c604316200070004600000000,0500000030f105,0100c10004000000030090002a0000400148000000000000000000000000000000004600c02a04,8044040008402100024295c901b3926794797aff1f,0,6,52,4,0,11,60,62,-11.913,-4.399,5,0.0,0.001424387,+,3.0653,-,3.0653,https://www.genome.jp/dbget-bin/www_bget?dr:D07487
3045,D00927, Bacampicillin hydrochloride (JP17/USP), Penicillins with extended spectrum,J01CA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O[C@H](OC(=O)OCC)C)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],466.528,0.9078,120.12899999999999,164.18,38,2,10,PFOLLRNADZZWEX-OIKQGAJOSA-O,C21H28N3O7S+,CCOC(=O)OC(OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)C(c1ccccc1)[NH3+])C,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/p+1/t11-,13-,14-,15+,18-/m1/s1",-5.8715,-5.7551,-5.3951,-5.3859,-5.377999999999999,-4.4242,2.2156,2.2554,2.3567,2.9864,3.0535,D00927_J01CA06,8026018310602420230006000212000c010000240040800020000080001600001800508703070013108e2538200000400903400010804040000200024004421408106800091018c001210c0006e8010f00b0054001002008e0480e0a8000200008300008001a20000000000080000000400f318c604316200070004600000000,0500000030f105,0100c10004000000030090002a0000400148000000000000000000000000000000004600c02a04,8044040008402100024295c901b3926794797aff1f,0,6,52,4,0,11,60,62,-11.91,-4.4,5,0.0,0.001424,+,3.0653,-,3.0653,https://www.genome.jp/dbget-bin/www_bget?dr:D00927
3046,D04020, Epicillin (USAN/INN), Penicillins with extended spectrum,J01CA07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C1=CCC=CC1)[NH3+],352.42900000000003,-0.1662,95.1146,139.65,28,3,7,RPBAFSBGYDKNRG-NJBDSQKTSA-O,C16H22N3O4S+,[NH3+]C(C1=CCC=CC1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7596,-5.3918,-5.3865,-5.359,-4.5548,-4.4271,2.2305,2.3459,2.3713,2.4503,2.5691,D04020_J01CA07,8022018310400024210404000010000c000000900040400020000000001220001808100603870003000e00300100004009034200100041004003000000040034080048000104188001210c0006e0130e0030054101002000c8c0160a400000100a0400224012280000000000800000004004300c604296200070004f12000100,0500000c00e103,1300c10004000000030088002a0000c00100000000000000000000000000000000004400c32a04,8004040008402300024a95ce05a19047956d7afa1d,0,0,43,5,0,5,46,48,-7.906000000000001,-1.297,4,-2.0,9.68688e-05,-,2.4923,-,2.4923,https://www.genome.jp/dbget-bin/www_bget?dr:D04020
3047,D02889, Amdinocillin pivoxil (USAN), Penicillins with extended spectrum,J01CA08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)/[NH]=C\N1CCCCCC1,440.577,2.5016,125.12799999999999,125.3,43,1,8,ZEWHDPGXPJFDMT-UMEUOAKRSA-N,C21H34N3O5S,O=C(C1N2C(=O)C(C2SC1(C)C)[NH]=CN1CCCCCC1)OCOC(=O)C(C)(C)C,"InChI=1S/C21H34N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17,22H,6-11,13H2,1-5H3/b22-12-/t14-,15+,17-/m1/s1",-4.9466,-4.822,-4.5623,-4.4221,-4.4184,-3.97,2.0491,2.2256,2.2468,2.2593,2.7143,D02889_J01CA08,90220183104120a0210006001212000e010000340040804020000000801200001800100601070013900e0130002000400903408050a0414000020002400c4214088078000110188009010c0006e4010e00b0054011002010e244060a0002200000200028001a22002000000080800000400d1108604216200070004740000000,0400000030a105,0b0041010000000003009000200000000100000000000000000000000000000000004400432804,80040408084000000276b5cf09f9f0e7917b7eff19,0,0,62,4,0,8,64,66,-12.264000000000001,-5.416,3,1.0,0.016402902,-,3.3481,-,3.3481,https://www.genome.jp/dbget-bin/www_bget?dr:D02889
3048,D01499, Pivmecillinam hydrochloride (JP17), Penicillins with extended spectrum,J01CA08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C)/[NH]=C\N1CCCCCC1,440.577,2.5016,125.12799999999999,125.3,43,1,8,ZEWHDPGXPJFDMT-UMEUOAKRSA-N,C21H34N3O5S,O=C(C1N2C(=O)C(C2SC1(C)C)[NH]=CN1CCCCCC1)OCOC(=O)C(C)(C)C,"InChI=1S/C21H34N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17,22H,6-11,13H2,1-5H3/b22-12-/t14-,15+,17-/m1/s1",-5.0157,-4.812,-4.6163,-4.4199,-4.4146,-3.9943,2.1072,2.2516,2.2583,2.2595,2.6868,D01499_J01CA08,90220183104120a0210006001212000e010000340040804020000000801200001800100601070013900e0130002000400903408050a0414000020002400c4214088078000110188009010c0006e4010e00b0054011002010e244060a0002200000200028001a22002000000080800000400d1108604216200070004740000000,0400000030a105,0b0041010000000003009000200000000100000000000000000000000000000000004400432804,80040408084000000276b5cf09f9f0e7917b7eff19,0,0,62,4,0,8,64,66,-12.262,-5.419,3,0.0,0.016412376,-,3.3481,-,3.3481,https://www.genome.jp/dbget-bin/www_bget?dr:D01499
3049,D02339, Azlocillin (USAN/INN), Penicillins with extended spectrum,J01CA09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](c1ccccc1)NC(=O)N1C(=O)NCC1,461.49199999999996,1.0806,124.478,173.45,34,4,12,JTWOMNBEOCYFNV-RSUWNVLCSA-N,C20H23N5O6S,O=C(C(c1ccccc1)NC(=O)N1CCNC1=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1",-5.3233,-5.1817,-4.6453,-4.595,-4.5601,-4.4201,2.3781,2.4374,2.5829,2.6413,2.6528,D02339_J01CA09,8026018311600420230006000011000c000000800040000020000080001200001800408703070003008e2338000102c00903400050004000002200021044001408004800010018c001210c0006e8010f00b004400300200b40480e0a8000000008300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040200000000000000000000000000004600402804,800404001840300002d697cf89e3b047946f7efb1f,0,6,47,5,0,8,55,58,-4.823,2.248,4,0.0,0.000249703,-,4.4443,-,4.4443,https://www.genome.jp/dbget-bin/www_bget?dr:D02339
3050,D03039, Azlocillin sodium, Penicillins with extended spectrum,J01CA09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](c1ccccc1)NC(=O)N1C(=O)NCC1,461.49199999999996,1.0806,124.478,173.45,34,4,12,JTWOMNBEOCYFNV-RSUWNVLCSA-N,C20H23N5O6S,O=C(C(c1ccccc1)NC(=O)N1CCNC1=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1",-5.2996,-5.2367,-4.6353,-4.6186,-4.5587,-4.4195,2.4442,2.4456,2.6004,2.628,2.6567,D03039_J01CA09,8026018311600420230006000011000c000000800040000020000080001200001800408703070003008e2338000102c00903400050004000002200021044001408004800010018c001210c0006e8010f00b004400300200b40480e0a8000000008300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040200000000000000000000000000004600402804,800404001840300002d697cf89e3b047946f7efb1f,0,6,47,5,0,8,55,58,-4.821000000000001,2.25,4,0.0,0.000249978,-,4.4175,-,4.4175,https://www.genome.jp/dbget-bin/www_bget?dr:D03039
3051,D05021, Mezlocillin (USAN/INN), Penicillins with extended spectrum,J01CA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)NC(=O)N1C(=O)N(CC1)S(=O)(=O)C,539.582,1.4425,138.343,207.18,38,3,14,YPBATNHYBCGSSN-VWPFQQQWSA-N,C21H25N5O8S2,O=C(C(c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",-8.6819,-8.5594,-8.4636,-6.461,-5.92,-5.3347,2.6394,2.6494,2.6834,2.7306,3.4594,D05021_J01CA10,e026018311600420230006000011800c0c040080004000802100028000120002380040a703270003008e2338000102c00943400050006000002200021044001608804800010018c041210c0006e8010f00b404c00320200b40e80e0a8000000008300002041222000000000080000000400e310f60c316200070804780000100,0400000c00b143,0100010000000000030088002a0000c00040040200000000000020000000000000004600402805,800404801940649a06d795ff29ebb84f967f7efb1f,0,6,51,7,0,9,61,64,-4.876,-0.391,4,1.0,0.000165375,-,5.4002,-,5.4002,https://www.genome.jp/dbget-bin/www_bget?dr:D05021
3052,D02221, Mezlocillin sodium (JAN), Penicillins with extended spectrum,J01CA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](c1ccccc1)NC(=O)N1C(=O)N(CC1)S(=O)(=O)C,539.582,1.4425,138.343,207.18,38,3,14,YPBATNHYBCGSSN-QDEZUTFSSA-N,C21H25N5O8S2,O=C(C(c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13+,14-,17+/m0/s1",-8.6096,-8.6006,-8.4603,-6.4568,-5.9078,-5.3043,2.628,2.6519999999999997,2.7211,2.7349,3.5002,D02221_J01CA10,e026018311600420230006000011800c0c040080004000802100028000120002380040a703270003008e2338000102c00943400050006000002200021044001608804800010018c041210c0006e8010f00b404c00320200b40e80e0a8000000008300002041222000000000080000000400e310f60c316200070804780000100,0400000c00b143,0100010000000000030088002a0000c00040040200000000000020000000000000004600402805,800404801940649a06d795ff29ebb84f967f7efb1f,0,6,51,7,0,9,61,64,-4.875,-0.389,4,,0.00016548599999999998,-,5.3865,-,5.3865,https://www.genome.jp/dbget-bin/www_bget?dr:D02221
3053,D05022, Mezlocillin sodium (USP), Penicillins with extended spectrum,J01CA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)NC(=O)N1C(=O)N(CC1)S(=O)(=O)C,539.582,1.4425,138.343,207.18,38,3,14,YPBATNHYBCGSSN-VWPFQQQWSA-N,C21H25N5O8S2,O=C(C(c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",-8.648,-8.592,-8.4428,-6.5005,-5.871,-5.3005,2.6336,2.6505,2.6787,2.7301,3.4745,D05022_J01CA10,e026018311600420230006000011800c0c040080004000802100028000120002380040a703270003008e2338000102c00943400050006000002200021044001608804800010018c041210c0006e8010f00b404c00320200b40e80e0a8000000008300002041222000000000080000000400e310f60c316200070804780000100,0400000c00b143,0100010000000000030088002a0000c00040040200000000000020000000000000004600402805,800404801940649a06d795ff29ebb84f967f7efb1f,0,6,51,7,0,9,61,64,-4.876,-0.39,4,1.0,0.000165377,-,5.3865,-,5.3865,https://www.genome.jp/dbget-bin/www_bget?dr:D05022
3054,D02888, Amdinocillin (USAN), Penicillins with extended spectrum,J01CA11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)/[NH]=C\N1CCCCCC1,326.434,1.4962,95.7475,110.0,30,2,6,SYWDGGUREZTHPL-URWBGMNZSA-N,C15H24N3O3S,OC(=O)C1N2C(=O)C(C2SC1(C)C)[NH]=CN1CCCCCC1,"InChI=1S/C15H24N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13,16H,3-8H2,1-2H3,(H,20,21)/b16-9-/t10-,11+,13-/m1/s1",-5.0178,-4.8145,-4.6263,-4.5595,-4.4278,-3.9575,2.075,2.2305,2.3727,2.4362,2.728,D02888_J01CA11,90220183104100a0210006001010000a000000140040004020000000801200001800100601070003900e003000200040090340805020410000020002000c0014088058000100188009010c0006e4010e0030054011002010c244060a000200000000002000122200200000008080000040041008604216200070004740000000,0400000c00a103,030041010000000003008800200000800100000000000000000000000000000000004400432804,80040400084000000276b5ce09e1f0c795677efb19,0,0,45,3,0,3,46,48,-7.537999999999999,-2.753,3,-2.0,0.00028622099999999997,-,1.8204,-,1.8204,https://www.genome.jp/dbget-bin/www_bget?dr:D02888
3055,D08380, Piperacillin (INN), Penicillins with extended spectrum,J01CA12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)NC(=O)N1C(=O)C(=O)N(CC1)CC,517.555,0.3552,138.804,181.73,39,3,13,IVBHGBMCVLDMKU-GXNBUGAJSA-N,C23H27N5O7S,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",-5.3093,-4.6084,-4.5619,-4.4174,-4.2934,-4.2187,2.4199,2.4315,2.5467,2.6412,2.6525,D08380_J01CA12,8026018310600420230006000011000c000000800040000020000080001200001800408723070003008e2138000102c00903400050004000000200021044001408004800010018c001210c0006e8010f00b004400100200940480e0a8000000408300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040000000000000000000000000000004640402804,80040400184020008256b5cf0bebba47957f7fff1f,0,6,54,6,0,9,63,66,-4.879,1.569,4,0.0,0.000542279,-,4.9962,-,4.9962,https://www.genome.jp/dbget-bin/www_bget?dr:D08380
3056,D00466, Piperacillin sodium (JP17/USP), Penicillins with extended spectrum,J01CA12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)NC(=O)N1C(=O)C(=O)N(CC1)CC,517.555,0.3552,138.804,181.73,39,3,13,IVBHGBMCVLDMKU-GXNBUGAJSA-N,C23H27N5O7S,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",-5.3184,-4.603,-4.5618,-4.4192,-4.2907,-4.2166,2.3763,2.4295,2.5363,2.6501,2.6585,D00466_J01CA12,8026018310600420230006000011000c000000800040000020000080001200001800408723070003008e2138000102c00903400050004000000200021044001408004800010018c001210c0006e8010f00b004400100200940480e0a8000000408300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040000000000000000000000000000004640402804,80040400184020008256b5cf0bebba47957f7fff1f,0,6,54,6,0,9,63,66,-4.879,1.575,4,1.0,0.000542178,-,4.9677,-,4.9677,https://www.genome.jp/dbget-bin/www_bget?dr:D00466
3057,D02251, Piperacillin (USP), Penicillins with extended spectrum,J01CA12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)NC(=O)N1C(=O)C(=O)N(CC1)CC,517.555,0.3552,138.804,181.73,39,3,13,IVBHGBMCVLDMKU-GXNBUGAJSA-N,C23H27N5O7S,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",-5.3067,-4.6072,-4.5619,-4.4176,-4.2936,-4.2172,2.4268,2.4338,2.535,2.6466,2.6563,D02251_J01CA12,8026018310600420230006000011000c000000800040000020000080001200001800408723070003008e2138000102c00903400050004000000200021044001408004800010018c001210c0006e8010f00b004400100200940480e0a8000000408300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040000000000000000000000000000004640402804,80040400184020008256b5cf0bebba47957f7fff1f,0,6,54,6,0,9,63,66,-4.881,1.579,4,,0.000541922,-,4.9962,-,4.9962,https://www.genome.jp/dbget-bin/www_bget?dr:D02251
3058,D08593, Ticarcillin (INN), Penicillins with extended spectrum,J01CA13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](C(=O)O)c1ccsc1,384.42699999999996,0.8768,94.3123,177.55,23,3,10,OHKOGUYZJXTSFX-KZFFXBSXSA-N,C15H16N2O6S2,O=C(C(c1cscc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",-4.5701,-4.5592,-4.4274,-4.4197,-3.8895,-3.8835,2.2308,2.3628,2.3747,2.414,2.4418,D08593_J01CA13,802ac18310600320230006000010000c040000200040000020000004015200001800000781070003800ea07800000040094340001000c000000200020004001c080068000110188001210c000ee0011f803004400102200040600e0a80010000080000000013300000000000c00010004006308e604b16200070004600000100,0400000c00b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1b,0,5,34,4,0,6,41,43,-2.476,5.032,4,0.0,1.6170899999999998e-09,-,3.415,-,3.415,https://www.genome.jp/dbget-bin/www_bget?dr:D08593
3059,D02241, Ticarcillin disodium (USP), Penicillins with extended spectrum,J01CA13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](C(=O)O)c1ccsc1,384.42699999999996,0.8768,94.3123,177.55,23,3,10,OHKOGUYZJXTSFX-KZFFXBSXSA-N,C15H16N2O6S2,O=C(C(c1cscc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",-4.5622,-4.5396,-4.4192,-4.4135,-3.9082,-3.8754,2.2351,2.3756,2.3776,2.3858,2.3923,D02241_J01CA13,802ac18310600320230006000010000c040000200040000020000004015200001800000781070003800ea07800000040094340001000c000000200020004001c080068000110188001210c000ee0011f803004400102200040600e0a80010000080000000013300000000000c00010004006308e604b16200070004600000100,0400000c00b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1b,0,5,34,4,0,6,41,43,-2.48,5.0280000000000005,4,1.0,1.6183e-09,-,3.3867,-,3.3867,https://www.genome.jp/dbget-bin/www_bget?dr:D02241
3060,D06137, Ticarcillin cresyl sodium (USAN), Penicillins with extended spectrum,J01CA13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](C(=O)Oc1ccc(cc1)C)c1ccsc1,474.55,2.7062,123.719,166.55,30,2,10,DGNAUIYWRWICBR-OAFZBRQQSA-N,C22H22N2O6S2,O=C(C(C(=O)Oc1ccc(cc1)C)c1cscc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C22H22N2O6S2/c1-11-4-6-13(7-5-11)30-21(29)14(12-8-9-31-10-12)17(25)23-15-18(26)24-16(20(27)28)22(2,3)32-19(15)24/h4-10,14-16,19H,1-3H3,(H,23,25)(H,27,28)/t14-,15-,16+,19-/m1/s1",-4.5552,-4.4207,-4.412,-3.8805,-3.8696,-3.8001,2.0446,2.1471,2.2430000000000003,2.3643,2.3669,D06137_J01CA13,c02ac19310600320230006000012000c0600002000400200200000840152000018004007a1070013800ea07800000040094342001000c004000200020004221c082068000110198101210c000ee0811f80b004400102200040680e0a80010000480000000013340200002002c01010004006318e684b16200870004600100104,0400000c50b107,0500010000000000030098002a000080000000000000c000000000000000000000004600402805,8004040008400000024295c901a19167947dfafa1f,0,11,42,4,0,8,54,57,-4.842,1.993,4,1.0,0.006615994,-,4.0016,-,4.0016,https://www.genome.jp/dbget-bin/www_bget?dr:D06137
3061,D06138, Ticarcillin monosodium (USP), Penicillins with extended spectrum,J01CA13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](C(=O)O)c1ccsc1,384.42699999999996,0.8768,94.3123,177.55,23,3,10,OHKOGUYZJXTSFX-KZFFXBSXSA-N,C15H16N2O6S2,O=C(C(c1cscc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",-4.5573,-4.546,-4.4316,-4.4088,-3.9144,-3.8887,2.2319,2.3476,2.3697,2.3767,2.3935,D06138_J01CA13,802ac18310600320230006000010000c040000200040000020000004015200001800000781070003800ea07800000040094340001000c000000200020004001c080068000110188001210c000ee0011f803004400102200040600e0a80010000080000000013300000000000c00010004006308e604b16200070004600000100,0400000c00b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1b,0,5,34,4,0,6,41,43,-2.48,5.029,4,1.0,1.6185e-09,-,3.3957,-,3.3957,https://www.genome.jp/dbget-bin/www_bget?dr:D06138
3062,D07234, Metampicillin (INN), Penicillins with extended spectrum,J01CA14,ANTIINFECTIVES FOR SYSTEMIC USE,c1cccc(c1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N=C,361.415,1.3888,98.3485,124.37,26,2,8,FZECHKJQHUVANE-MCYUEQNJSA-N,C17H19N3O4S,C=NC(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1",-4.5506,-4.425,-3.8944,-3.8903,-3.7945,-3.5529,2.2343,2.3565,2.3722,2.3851,2.4388,D07234_J01CA14,8026018310600420230006000010000c000000040040004020001080801200001808408703070003008e203800000040090340001000400000020002000c001408004800010018c001210c0006e8010f00b0044001002008404c0e0a80000000081000000012200000000000800000006006310c604316200070004600000000,0400000c00b103,0100010000000800030088002a0000800000000000000000000000000000000000004600402804,800404000a400000026295c801a1d047946d7afa1f,0,6,36,4,0,6,44,46,-4.7589999999999995,2.417,4,-2.0,0.00012618700000000002,-,2.0914,-,2.0914,https://www.genome.jp/dbget-bin/www_bget?dr:D07234
3063,D08191, Metampicillin sodium, Penicillins with extended spectrum,J01CA14,ANTIINFECTIVES FOR SYSTEMIC USE,c1cccc(c1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N=C,361.415,1.3888,98.3485,124.37,26,2,8,FZECHKJQHUVANE-MCYUEQNJSA-N,C17H19N3O4S,C=NC(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1",-4.5385,-4.43,-3.8921,-3.8836,-3.7907,-3.5608,2.2273,2.3659,2.366,2.3791,2.4441,D08191_J01CA14,8026018310600420230006000010000c000000040040004020001080801200001808408703070003008e203800000040090340001000400000020002000c001408004800010018c001210c0006e8010f00b0044001002008404c0e0a80000000081000000012200000000000800000006006310c604316200070004600000000,0400000c00b103,0100010000000800030088002a0000800000000000000000000000000000000000004600402804,800404000a400000026295c801a1d047946d7afa1f,0,6,36,4,0,6,44,46,-4.7589999999999995,2.411,4,1.0,0.000126105,-,2.0738,-,2.0738,https://www.genome.jp/dbget-bin/www_bget?dr:D08191
3064,D08557, Talampicillin (INN), Penicillins with extended spectrum,J01CA15,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O[C@H]1c2c(C(=O)O1)cccc2)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],482.529,1.2579,126.98700000000001,154.95,33,2,9,SOROUYSPFADXSN-UENFOFCHSA-O,C24H24N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OC1OC(=O)c2c1cccc2)(C)C,"InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/p+1/t15-,16-,17+,20-,23+/m1/s1",-5.77,-5.3926,-5.3848,-5.3554,-4.419,-4.2856,2.2189,2.3438,2.5963,2.7488,2.8126,D08557_J01CA15,80260183106024e0230006000312000c010000240040880020a800c8001600001c00408703070013208f2338200000400903400010804040000200024004421408106802091018c001212d0006e8010f00b804400110200c60480e0a8001200008300008001a300000c0000890000008400f318c604316200078004600000000,0500000030f105,0100c100040000000300b0002a0000400101000000000000000000000000000000004640c03a04,8004040008402101024295c911a1906794e97bfa1f,0,12,46,4,0,7,58,62,-12.149000000000001,-4.357,5,0.0,0.013444796,-,4.1902,-,4.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D08557
3065,D02201, Talampicillin hydrochloride (JP17/USAN), Penicillins with extended spectrum,J01CA15,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O[C@H]1c2c(C(=O)O1)cccc2)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],482.529,1.2579,126.98700000000001,154.95,33,2,9,SOROUYSPFADXSN-UENFOFCHSA-O,C24H24N3O6S+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OC1OC(=O)c2c1cccc2)(C)C,"InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/p+1/t15-,16-,17+,20-,23+/m1/s1",-5.7642,-5.3915,-5.3841,-5.3572,-4.4135,-4.2831,2.2342,2.3357,2.5804,2.7404,2.8268,D02201_J01CA15,80260183106024e0230006000312000c010000240040880020a800c8001600001c00408703070013208f2338200000400903400010804040000200024004421408106802091018c001212d0006e8010f00b804400110200c60480e0a8001200008300008001a300000c0000890000008400f318c604316200078004600000000,0500000030f105,0100c100040000000300b0002a0000400101000000000000000000000000000000004640c03a04,8004040008402101024295c911a1906794e97bfa1f,0,12,46,4,0,7,58,62,-12.149000000000001,-4.3580000000000005,5,0.0,0.013470082,-,4.1902,-,4.1902,https://www.genome.jp/dbget-bin/www_bget?dr:D02201
3066,D08534, Sulbenicillin (INN), Penicillins with extended spectrum,J01CA16,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](S(=O)(=O)O)c1ccccc1,414.45300000000003,1.6568,100.39200000000001,174.76,26,3,10,JETQIUPBHQNHNZ-YAMSLAJTSA-N,C16H18N2O7S2,O=C(C(S(=O)(=O)O)c1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10+,11+,14-/m1/s1",-8.9276,-8.9147,-8.3873,-4.5533,-4.4249,-3.9055,2.4572,2.6118,2.6311,3.4184,4.18,D08534_J01CA16,a026018310600020238006000010000c400000000040000020000080001200001800488701070003000e2038000000400903400010004000100301020804005408004800010018c003210c0006f0110f40b004400120200844480e0a80000200080240000412208000010000800004004006710c606316202070004600000000,0400000c00b103,0100010000000000030088002a0000800000000000000000000022000000000000004600402804,80040400c8c0541a164395c921a3904f966d7afa1f,0,6,36,5,0,6,45,47,-2.469,5.13,4,0.0,1.7969100000000002e-09,+,2.6733,-,2.6733,https://www.genome.jp/dbget-bin/www_bget?dr:D08534
3067,D01489, Sulbenicillin sodium (JP17), Penicillins with extended spectrum,J01CA16,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](S(=O)(=O)O)c1ccccc1,414.45300000000003,1.6568,100.39200000000001,174.76,26,3,10,JETQIUPBHQNHNZ-YAMSLAJTSA-N,C16H18N2O7S2,O=C(C(S(=O)(=O)O)c1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10+,11+,14-/m1/s1",-8.9194,-8.9141,-8.3685,-4.5496,-4.4258,-3.8946,2.4618,2.6011,2.6554,3.3789,4.1202,D01489_J01CA16,a026018310600020238006000010000c400000000040000020000080001200001800488701070003000e2038000000400903400010004000100301020804005408004800010018c003210c0006f0110f40b004400120200844480e0a80000200080240000412208000010000800004004006710c606316202070004600000000,0400000c00b103,0100010000000000030088002a0000800000000000000000000022000000000000004600402804,80040400c8c0541a164395c921a3904f966d7afa1f,0,6,36,5,0,6,45,47,-2.47,5.13,4,1.0,1.79539e-09,+,2.6598,-,2.6598,https://www.genome.jp/dbget-bin/www_bget?dr:D01489
3068,D06064, Temocillin (USAN), Penicillins with extended spectrum,J01CA17,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)(NC(=O)[C@@H](C(=O)O)c1ccsc1)OC,414.45300000000003,0.8509,100.242,186.78,26,3,11,BVCKFLJARNKCSS-HQQIEPHNSA-N,C16H18N2O7S2,COC1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8-,9-,14+,16-/m0/s1",-4.5858,-4.537,-4.4323,-4.4116,-3.9219999999999997,-3.8749,2.3643,2.3746,2.4063,2.4492,2.5557,D06064_J01CA17,802ac187106003a0230006000012000c05200020004080003200000401d201003800000781070013900fa07800000040094340001000c000000208820004001c08007a000110388003210c800ee0011f80f004400112200040600e0a80034000080000000013320020800000c00010004006308e604b16200070004600000100,0400000c30b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000824295d901a19067947dfafa1b,0,5,38,4,0,7,45,47,-2.4619999999999997,4.841,4,-1.0,3.25732e-09,-,3.9786,-,3.9786,https://www.genome.jp/dbget-bin/www_bget?dr:D06064
3069,D08567, Temocillin disodium salt, Penicillins with extended spectrum,J01CA17,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)(NC(=O)[C@@H](C(=O)O)c1ccsc1)OC,414.45300000000003,0.8509,100.242,186.78,26,3,11,BVCKFLJARNKCSS-HQQIEPHNSA-N,C16H18N2O7S2,COC1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8-,9-,14+,16-/m0/s1",-4.5795,-4.5477,-4.4245,-4.4185,-3.891,-3.8801,2.3547,2.3707,2.4023,2.4556,2.5591,D08567_J01CA17,802ac187106003a0230006000012000c05200020004080003200000401d201003800000781070013900fa07800000040094340001000c000000208820004001c08007a000110388003210c800ee0011f80f004400112200040600e0a80034000080000000013320020800000c00010004006308e604b16200070004600000100,0400000c30b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000824295d901a19067947dfafa1b,0,5,38,4,0,7,45,47,-2.5,4.728,4,1.0,3.2665700000000002e-09,-,3.9452,-,3.9452,https://www.genome.jp/dbget-bin/www_bget?dr:D08567
3070,D01074, Hetacillin (USAN/INN), Penicillins with extended spectrum,J01CA18,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N1C(=O)[C@@H](c2ccccc2)[NH2+]C1(C)C,390.477,1.8299,113.89,119.83,30,2,7,DXVUYOAEDJXBPY-NFFDBFGFSA-O,C19H24N3O4S+,OC(=O)C1N2C(=O)C(C2SC1(C)C)N1C(=O)C([NH2+]C1(C)C)c1ccccc1,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/p+1/t11-,12-,13+,16-/m1/s1",-6.9726,-6.1255,-5.7293,-5.7124,-4.6956,-4.5508,2.4474,2.4895,2.7695,3.3048,3.362,D01074_J01CA18,8026018310600420230006000011000c2000008000400000200000c0001200001800408f03070003008e2138000100400903400050004000002200021844001408004800010418c001210c0006f8010f00b004400100200940480e0a8000000008300002041220000000000080000000400e310c604316200070004700000100,0500000c00f103,010001000000000003008800200000c00000000000000000000000000000000000004600c02a04,800404002840012002569dc801a19047947d7afa1f,0,6,45,3,0,3,51,54,-6.928999999999999,-2.233,4,,1.51177e-05,-,3.2534,-,3.2534,https://www.genome.jp/dbget-bin/www_bget?dr:D01074
3071,D02203, Hetacillin potassium (JAN/USAN), Penicillins with extended spectrum,J01CA18,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)N1C(=O)[C@@H](c2ccccc2)[NH2+]C1(C)C,390.477,1.8299,113.89,119.83,30,2,7,DXVUYOAEDJXBPY-NFFDBFGFSA-O,C19H24N3O4S+,OC(=O)C1N2C(=O)C(C2SC1(C)C)N1C(=O)C([NH2+]C1(C)C)c1ccccc1,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/p+1/t11-,12-,13+,16-/m1/s1",-6.9597,-6.1397,-5.7289,-5.71,-4.6798,-4.5556,2.4468,2.4884,2.7749,3.2939999999999996,3.3597,D02203_J01CA18,8026018310600420230006000011000c2000008000400000200000c0001200001800408f03070003008e2138000100400903400050004000002200021844001408004800010418c001210c0006f8010f00b004400100200940480e0a8000000008300002041220000000000080000000400e310c604316200070004700000100,0500000c00f103,010001000000000003008800200000c00000000000000000000000000000000000004600c02a04,800404002840012002569dc801a19047947d7afa1f,0,6,45,3,0,3,51,54,-6.9270000000000005,-2.239,4,1.0,1.5116099999999999e-05,-,3.2252,-,3.2252,https://www.genome.jp/dbget-bin/www_bget?dr:D02203
3072,D07469, Aspoxicillin (JAN/INN), Penicillins with extended spectrum,J01CA19,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)NC(=O)[C@@H](CC(=O)NC)[NH3+],494.541,-0.9616,125.883,218.08,39,6,12,BHELIUBJHYAEDK-OAIUPTLZSA-O,C21H28N5O7S+,CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)[NH3+],"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/p+1/t11-,13-,14-,15+,19-/m1/s1",-5.3991,-5.3851,-5.2942,-4.6054,-4.5394,-4.4296,2.623,2.6607,2.6712,2.7178,3.0012,D07469_J01CA19,8026818310600420330006000211000c0000009000403200200000c0001200001800408703070003008e2038000000c00903420010004000000200020004001408004800010418c001210c0006e8010f00b0064001002008c0490f0a80002000081000220012200200000000800000004006310c604316200870804600000200,0500000c02f103,0300c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,800404000840310002c295da81e199479c7dfafe1f,0,6,53,5,0,11,62,64,-6.225,-2.681,5,2.0,0.001439169,-,4.2323,-,4.2323,https://www.genome.jp/dbget-bin/www_bget?dr:D07469
3073,D02504, Aspoxicillin hydrate (JP17), Penicillins with extended spectrum,J01CA19,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)NC(=O)[C@@H](CC(=O)NC)[NH3+],494.541,-0.9616,125.883,218.08,39,6,12,BHELIUBJHYAEDK-OAIUPTLZSA-O,C21H28N5O7S+,CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)[NH3+],"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/p+1/t11-,13-,14-,15+,19-/m1/s1",-5.3788,-5.3707,-5.3443,-4.5587,-4.511,-4.4263,2.4956,2.5076,2.5926,2.6282,2.6651,D02504_J01CA19,8026818310600420330006000211000c0000009000403200200000c0001200001800408703070003008e2038000000c00903420010004000000200020004001408004800010418c001210c0006e8010f00b0064001002008c0490f0a80002000081000220012200200000000800000004006310c604316200870804600000200,0500000c02f103,0300c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,800404000840310002c295da81e199479c7dfafe1f,0,6,53,5,0,11,62,64,-6.226,-2.678,5,0.0,0.0014394579999999998,-,4.2323,-,4.2323,https://www.genome.jp/dbget-bin/www_bget?dr:D02504
3074,D02065, Ampicillin sodium and sulbactam sodium, Penicillins with extended spectrum,J01CA51,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.785,-5.3945,-5.3863,-5.3635,-4.5507,-4.428999999999999,2.2314,2.3501,2.3702,2.4521,2.5909,D02065_J01CA51,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.693,-1.561,4,0.0,0.000160279,-,2.0481,-,2.0481,https://www.genome.jp/dbget-bin/www_bget?dr:D02065
3075,D02065, Ampicillin sodium and sulbactam sodium," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7781,-5.3922,-5.3907,-5.3556,-4.5496,-4.428999999999999,2.2289,2.3508,2.3714,2.4526,2.6056,D02065_J01CR01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.693,-1.561,4,0.0,0.000160279,-,2.0481,-,2.0481,https://www.genome.jp/dbget-bin/www_bget?dr:D02065
3076,D02065, Ampicillin sodium and sulbactam sodium, Combinations of antibacterials,J01RA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+],350.413,-0.0699,93.8216,139.65,26,3,7,AVKUERGKIZMTKX-NJBDSQKTSA-O,C16H20N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p+1/t9-,10-,11+,14-/m1/s1",-5.7807,-5.3945,-5.3798,-5.3703,-4.5411,-4.4322,2.2276,2.3511,2.3738,2.4456,2.6336,D02065_J01RA01,8026018310600420230006000010000c000000000040000020000080001200001800408703070003008e2038000000400903400010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200000000000800000004006310c604316200070004600000000,0500000c00f103,0100c10004000000030088002a0000c00100000000000000000000000000000000004600c02a04,8004040008402100024295c801a19047946d7afa1f,0,6,37,3,0,5,44,46,-7.693,-1.561,4,0.0,0.000160279,-,2.0481,-,2.0481,https://www.genome.jp/dbget-bin/www_bget?dr:D02065
3077,D02136, Ampicillin - dicloxacillin sodium mixt, Penicillins with extended spectrum,J01CA51,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1Cl)Cl)C,470.32599999999996,3.5309,115.75399999999999,138.04,24,2,9,YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8453,-4.8294,-4.5653,-4.4181,-3.9365,-3.5082,1.9305,2.046,2.2328,2.379,2.3794,D02136_J01CA51,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041352c0006e0010e80bc444001002000446a071a000146001810002c00522210a0801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.84,1.841,3,0.0,0.015100643,+,3.7442,-,3.7442,https://www.genome.jp/dbget-bin/www_bget?dr:D02136
3078,D02136, Ampicillin - dicloxacillin sodium mixt," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR50,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1Cl)Cl)C,470.32599999999996,3.5309,115.75399999999999,138.04,24,2,9,YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8506,-4.7918,-4.5656,-4.4183,-3.9574,-3.5076,1.9949,2.0406,2.2359,2.3718,2.3749,D02136_J01CR50,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041352c0006e0010e80bc444001002000446a071a000146001810002c00522210a0801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.84,1.841,3,0.0,0.015100643,+,3.7442,-,3.7442,https://www.genome.jp/dbget-bin/www_bget?dr:D02136
3079,D02136, Ampicillin - dicloxacillin sodium mixt, Combinations of antibacterials,J01RA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1Cl)Cl)C,470.32599999999996,3.5309,115.75399999999999,138.04,24,2,9,YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8681,-4.7887,-4.5661,-4.4164,-3.8588,-3.5474,1.9469999999999998,2.043,2.2367,2.3666,2.3755,D02136_J01RA01,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041352c0006e0010e80bc444001002000446a071a000146001810002c00522210a0801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.84,1.841,3,0.0,0.015100643,+,3.7442,-,3.7442,https://www.genome.jp/dbget-bin/www_bget?dr:D02136
3080,D02336, Benzylpenicillin (INN), Beta-lactamase sensitive penicillins,J01CE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5393,-4.4309,-3.9067,-3.8973,-3.8054,-3.5556,2.0516,2.1207,2.2269,2.3552,2.3724,D02336_J01CE01,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.849,2.555,3,0.0,9.15657e-05,-,2.1443,-,2.1443,https://www.genome.jp/dbget-bin/www_bget?dr:D02336
3081,D02336, Benzylpenicillin (INN), Antibiotics,S01AA14,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5486,-4.425,-3.8938,-3.8863,-3.7986,-3.5451,2.0455,2.1121,2.2318,2.3577,2.3692,D02336_S01AA14,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.849,2.555,3,0.0,9.15657e-05,-,2.1443,-,2.1443,https://www.genome.jp/dbget-bin/www_bget?dr:D02336
3082,D01053, Penicillin G potassium (USP), Beta-lactamase sensitive penicillins,J01CE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5509,-4.4216,-3.9044,-3.8858,-3.8073,-3.5484,2.0449,2.0702,2.238,2.339,2.3697,D01053_J01CE01,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.85,2.5540000000000003,3,1.0,9.16535e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D01053
3083,D01053, Penicillin G potassium (USP), Antibiotics,S01AA14,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5368,-4.4285,-3.8955,-3.8939,-3.8023,-3.5614,2.0541,2.1677,2.23,2.3551,2.3673,D01053_S01AA14,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.85,2.5540000000000003,3,1.0,9.16535e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D01053
3084,D02157, Penicillin G benzathine (USP), Beta-lactamase sensitive penicillins,J01CE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5455,-4.4278,-3.9275,-3.8992,-3.8021,-3.5415,2.0515,2.1361,2.2304,2.3567,2.3703,D02157_J01CE01,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.851,2.5540000000000003,3,0.0,9.221569999999999e-05,-,2.1443,-,2.1443,https://www.genome.jp/dbget-bin/www_bget?dr:D02157
3085,D02157, Penicillin G benzathine (USP), Beta-lactamase sensitive penicillins,J01CE08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5478,-4.4257,-3.9183,-3.8993,-3.8017,-3.5452,2.0511,2.1323,2.2333,2.3574,2.3687,D02157_J01CE08,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.851,2.5540000000000003,3,0.0,9.221569999999999e-05,-,2.1443,-,2.1443,https://www.genome.jp/dbget-bin/www_bget?dr:D02157
3086,D02157, Penicillin G benzathine (USP), Antibiotics,S01AA14,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5363,-4.4307,-3.9162,-3.9065,-3.7936,-3.5606,2.0522,2.1291,2.228,2.3655,2.3733,D02157_S01AA14,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.851,2.5540000000000003,3,0.0,9.221569999999999e-05,-,2.1443,-,2.1443,https://www.genome.jp/dbget-bin/www_bget?dr:D02157
3087,D05408, Penicillin G sodium (USP), Beta-lactamase sensitive penicillins,J01CE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.538,-4.4281,-3.9129,-3.903,-3.7954,-3.542,2.0579,2.1519,2.2297,2.3645,2.3702,D05408_J01CE01,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.85,2.5540000000000003,3,0.0,9.167200000000001e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D05408
3088,D05408, Penicillin G sodium (USP), Antibiotics,S01AA14,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5405,-4.428,-3.91,-3.9027,-3.7971,-3.5513,2.0518,2.1367,2.2304,2.3651,2.3702,D05408_S01AA14,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.85,2.5540000000000003,3,0.0,9.167200000000001e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D05408
3089,D07712, Clemizole penicillin (INN), Beta-lactamase sensitive penicillins,J01CE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5371,-4.4287,-3.9124,-3.9062,-3.7919,-3.5489,2.0513,2.1273,2.2259,2.3689,2.3735,D07712_J01CE01,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.851,2.553,3,0.0,9.1626e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D07712
3090,D07712, Clemizole penicillin (INN), Antibiotics,S01AA14,SENSORY ORGANS,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)Cc1ccccc1,334.39,1.1896,89.8565,112.01,24,2,7,JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5476,-4.4252,-3.9225,-3.9007,-3.7949,-3.5391,2.0484,2.1268,2.2299,2.3662,2.3707,D07712_S01AA14,8026018310600020230006000010000c000000000040000020000080001200001800408701070003000e2038000000400903400010004000000200020004001408004800010018c001210c0006e0010f00b004400100200840480e0a80000000080000000012200000000000800000004006310c604316200070004600000000,0400000c00b103,0300010000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000024295c881e190479c6d7afe1f,0,6,34,3,0,5,41,43,-4.851,2.553,3,0.0,9.1626e-05,-,2.1279,-,2.1279,https://www.genome.jp/dbget-bin/www_bget?dr:D07712
3091,D05411, Penicillin V (USP), Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5449,-4.4263,-3.9087,-3.9066,-3.7960000000000003,-3.5463,2.0501,2.1353,2.2296,2.3623,2.3698,D05411_J01CE02,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.842,2.185,3,1.0,5.5859399999999996e-05,-,2.0095,-,2.0095,https://www.genome.jp/dbget-bin/www_bget?dr:D05411
3092,D00497, Penicillin V potassium (USP), Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5465,-4.4198,-3.9241,-3.9056,-3.7956,-3.5418,2.0509,2.1194,2.231,2.3609999999999998,2.3694,D00497_J01CE02,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.843,2.186,3,,5.58642e-05,-,1.9878,-,1.9878,https://www.genome.jp/dbget-bin/www_bget?dr:D00497
3093,D02405, Penicillin V benzathine (USP), Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5426,-4.428,-3.8904,-3.8896,-3.7977,-3.5466,2.0501,2.0712,2.2229,2.3543,2.3821,D02405_J01CE02,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.843999999999999,2.187,3,,5.5856199999999996e-05,-,2.0095,-,2.0095,https://www.genome.jp/dbget-bin/www_bget?dr:D02405
3094,D02506, Phenoxymethylpenicillin benzathine (JAN, Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5482,-4.4248,-3.909,-3.9071,-3.7951,-3.5446,2.0474,2.1269,2.2279,2.3633,2.3713,D02506_J01CE02,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.843,2.184,3,1.0,5.59018e-05,-,2.0095,-,2.0095,https://www.genome.jp/dbget-bin/www_bget?dr:D02506
3095,D02506, Phenoxymethylpenicillin benzathine (JAN, Beta-lactamase sensitive penicillins,J01CE10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5472,-4.4271,-3.8864,-3.8761,-3.803,-3.5524,2.046,2.1189,2.2324,2.3621,2.3697,D02506_J01CE10,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.843,2.184,3,1.0,5.59018e-05,-,2.0095,-,2.0095,https://www.genome.jp/dbget-bin/www_bget?dr:D02506
3096,D05413, Penicillin V hydrabamine (USP), Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(cc2c(c1)[C@@]1([C@@H](CC2)[C@@](CCC1)(C[NH2+]CC[NH2+]C[C@@]1(CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C)C)C)C)C(C)C,598.987,7.781000000000001,194.843,33.22,66,2,0,XGIHQYAWBCFNPY-AZOCGYLKSA-P,C42H66N2++,CC(c1ccc2c(c1)CCC1C2(C)CCCC1(C)C[NH2+]CC[NH2+]CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)C,"InChI=1S/C42H64N2/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3/p+2/t37-,38-,39-,40-,41+,42+/m0/s1",-5.7727,-5.6977,-5.6492,-5.6051,-4.4454,-4.2671,1.5893,1.5936,1.746,1.8189,2.4331,D05413_J01CE02,00060000000002000200060002000008000080100000000001000080000000001000500201400001100000380001000001020000002000020000000200020000080008002000000000202000020000000088014000003008c0080800000910000100002000000000020000000100000000060104020110000000000100000000,0100000000f001,0f0040010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000210002422a0698c92c8005b255a517,0,12,103,0,0,9,110,115,-12.849,-7.667999999999999,6,0.0,0.006804779,+,4.7078,-,4.7078,https://www.genome.jp/dbget-bin/www_bget?dr:D05413
3097,D08360, Phenoxymethylpenicillin calcium, Beta-lactamase sensitive penicillins,J01CE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)COc1ccccc1,350.39,1.0259,91.3825,121.24,25,2,8,BPLBGHOLXOTWMN-MBNYWOFBSA-N,C16H18N2O5S,O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",-4.5544,-4.4228,-3.9130000000000003,-3.9019999999999997,-3.7946,-3.5336,2.0477,2.0894,2.2299,2.3645,2.3711,D08360_J01CE02,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c881f191679c6dfaff1f,0,6,35,3,0,6,42,44,-4.843999999999999,2.184,3,0.0,5.58882e-05,-,1.9878,-,1.9878,https://www.genome.jp/dbget-bin/www_bget?dr:D08360
3098,D08438, Propicillin (BAN), Beta-lactamase sensitive penicillins,J01CE03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](Oc1ccccc1)CC,378.44300000000004,1.8045,100.99600000000001,121.24,29,2,8,HOCWPKXKMNXINF-RSUWNVLCSA-N,C18H22N2O5S,CCC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Oc1ccccc1,"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1",-4.5421,-4.4276,-3.8804,-3.8796,-3.7939,-3.5442,2.0475,2.0985,2.2303,2.3482,2.3741,D08438_J01CE03,80220183104000202100060000120008010000100840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014082048000110188103210c0006e0810e00f0044001002400c0480e0a00000000080000200012200200000002801000004206310c684216200870004600200004,0400000c50b103,0300030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295ca01a193679c7dfafe1f,0,6,41,3,0,7,48,50,-4.897,2.188,4,0.0,0.000102839,-,2.4039,-,2.4039,https://www.genome.jp/dbget-bin/www_bget?dr:D08438
3099,D01649, Propicillin potassium (JAN), Beta-lactamase sensitive penicillins,J01CE03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](Oc1ccccc1)CC,378.44300000000004,1.8045,100.99600000000001,121.24,29,2,8,HOCWPKXKMNXINF-RSUWNVLCSA-N,C18H22N2O5S,CCC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Oc1ccccc1,"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1",-4.5388,-4.427,-3.9160000000000004,-3.8768,-3.7901,-3.535,2.0519,2.1215,2.2257,2.3585,2.3721,D01649_J01CE03,80220183104000202100060000120008010000100840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014082048000110188103210c0006e0810e00f0044001002400c0480e0a00000000080000200012200200000002801000004206310c684216200870004600200004,0400000c50b103,0300030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295ca01a193679c7dfafe1f,0,6,41,3,0,7,48,50,-4.896,2.195,4,,0.00010273,-,2.3819,-,2.3819,https://www.genome.jp/dbget-bin/www_bget?dr:D01649
3100,D07235, Azidocillin (INN), Beta-lactamase sensitive penicillins,J01CE04,ANTIINFECTIVES FOR SYSTEMIC USE,c1cccc(c1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)N=N#N,375.402,1.45126,94.6775,161.76,25,2,9,ODFHGIPNGIAMDK-PUHVVEEASA-N,C16H17N5O4S,O=C(C(c1ccccc1)N=N#N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14+/m1/s1",-4.5556,-4.4158,-3.8996,-3.8911,-3.79,-3.5694,2.3628,2.3718,2.4462,2.4562,3.1202,D07235_J01CE04,802e818310600c30230006000010100c1000000800400090201000800012000018004087030f0003008e2038000000400903400010004000000200020004001408404800010018c001210c0006e8010f00b004400100200840480e0a80000000081000040012200000000010800110004006310c606316200070004600000000,0400000c00b103,0100010000000000030088002a0000800000000000000020000000000000000000004600402804,800404000840080022d295e801a1d04f966d7afa1f,0,6,34,4,1,6,43,45,-12.097999999999999,-9.883,4,0.0,,+,2.2349,-,2.2349,https://www.genome.jp/dbget-bin/www_bget?dr:D07235
3101,D07484, Azidocillin sodium salt, Beta-lactamase sensitive penicillins,J01CE04,ANTIINFECTIVES FOR SYSTEMIC USE,c1cccc(c1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)N=N#N,375.402,1.45126,94.6775,161.76,25,2,9,ODFHGIPNGIAMDK-PUHVVEEASA-N,C16H17N5O4S,O=C(C(c1ccccc1)N=N#N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14+/m1/s1",-4.5477,-4.4185,-3.8881,-3.8859,-3.7897,-3.5691,2.3669,2.367,2.3709,2.441,3.1675,D07484_J01CE04,802e818310600c30230006000010100c1000000800400090201000800012000018004087030f0003008e2038000000400903400010004000000200020004001408404800010018c001210c0006e8010f00b004400100200840480e0a80000000081000040012200000000010800110004006310c606316200070004600000000,0400000c00b103,0100010000000000030088002a0000800000000000000020000000000000000000004600402804,800404000840080022d295e801a1d04f966d7afa1f,0,6,34,4,1,6,43,45,-12.103,-9.879,4,0.0,,+,2.215,-,2.215,https://www.genome.jp/dbget-bin/www_bget?dr:D07484
3102,D08350, Pheneticillin (INN), Beta-lactamase sensitive penicillins,J01CE05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](Oc1ccccc1)C,364.416,1.4144,96.1895,121.24,27,2,8,NONJJLVGHLVQQM-XDYICZGBSA-N,C17H20N2O5S,CC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Oc1ccccc1,"InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9-,11+,12-,15+/m0/s1",-4.5541,-4.4241,-3.8966,-3.8903,-3.7868,-3.5402,2.0503,2.084,2.2401,2.3636,2.3697,D08350_J01CE05,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c801a19167947dfafa1f,0,6,38,3,0,6,45,47,-4.777,2.02,4,0.0,5.75984e-05,-,2.0401,-,2.0401,https://www.genome.jp/dbget-bin/www_bget?dr:D08350
3103,D01178, Phenethicillin potassium (JP17), Beta-lactamase sensitive penicillins,J01CE05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](Oc1ccccc1)C,364.416,1.4144,96.1895,121.24,27,2,8,NONJJLVGHLVQQM-XDYICZGBSA-N,C17H20N2O5S,CC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Oc1ccccc1,"InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9-,11+,12-,15+/m0/s1",-4.5514,-4.4232,-3.8947,-3.8621,-3.801,-3.5391,2.041,2.0893,2.2263,2.3591,2.373,D01178_J01CE05,80220183104000202100060000120008010000000840000020000000001200001800000601070013000e04380000004009034200100040000002008000040014080048000110188103210c0006e0810e00f004400100240040480e0a00000000080000000012200200000000801000004206300c684216200870004600200004,0400000c50b103,0100030000000000030088002a0000800000000000000000000000000000000000004600402804,8004040008400000824295c801a19167947dfafa1f,0,6,38,3,0,6,45,47,-4.776,2.021,4,,5.76165e-05,-,2.0128,-,2.0128,https://www.genome.jp/dbget-bin/www_bget?dr:D01178
3104,D05406, Penamecillin (USAN/INN), Beta-lactamase sensitive penicillins,J01CE06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)OCOC(=O)C)(C)C)NC(=O)Cc1ccccc1,406.45300000000003,1.1688,105.07600000000001,127.31,31,1,9,NLOOMWLTUVBWAW-HLLBOEOZSA-N,C19H22N2O6S,CC(=O)OCOC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)Cc1ccccc1,"InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1",-4.4265,-4.4122,-3.9161,-3.8997,-3.8028,-3.5527,1.7662,2.0585,2.2349,2.2612,2.266,D05406_J01CE06,8026018310602020230006000212000c010000240040800020000080001200001800408701070013000e2138000000400903400010804040000200024004421408006800011018c001210c0006e0010f00b004400100200860480e0a8000200008200008001a20000000000080000000400f310c604316200070004600000000,0400000030b105,0300010000000000030090002a0000000000000000000000000000000000000000004600402805,8004040808400000024295c981f1986798797aff1f,0,6,42,4,0,9,50,52,-9.458,-0.253,3,0.0,0.17181034399999998,-,3.1903,-,3.1903,https://www.genome.jp/dbget-bin/www_bget?dr:D05406
3105,D07236, Clometocillin (INN), Beta-lactamase sensitive penicillins,J01CE07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)NC(=O)[C@@H](c1cc(c(cc1)Cl)Cl)OC,433.306,2.6414,105.76899999999999,121.24,25,2,8,JKXQBIZCQJLVOS-MCYUEQNJSA-N,C17H18Cl2N2O5S,COC(c1ccc(c(c1)Cl)Cl)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11-,12+,15-/m1/s1",-4.5409,-4.4272,-3.8945,-3.8846,-3.7902,-3.5494,2.1366,2.2302,2.3581,2.3689,2.4587,D07236_J01CE07,8026038310600060230006000012800c010000000040040020201080003200001800488701070013200f2038000000400903400010004000000200820004001408004802011018c003210d00a6e0010f00f804400100200840480e0a80010000080000000012200400400000800000004006310c604316200070005600800000,0400000c30b103,0180010000000000030088002a0000800000000000040000000000000000000000004600402804,80040400084000008242d5d841a59067b4fdfafa1f,0,6,38,3,0,6,45,47,-4.974,1.8430000000000002,4,0.0,0.001658621,-,2.2081,-,2.2081,https://www.genome.jp/dbget-bin/www_bget?dr:D07236
3106,D07735, Clometocillin potassium, Beta-lactamase sensitive penicillins,J01CE07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)NC(=O)[C@@H](c1cc(c(cc1)Cl)Cl)OC,433.306,2.6414,105.76899999999999,121.24,25,2,8,JKXQBIZCQJLVOS-MCYUEQNJSA-N,C17H18Cl2N2O5S,COC(c1ccc(c(c1)Cl)Cl)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11-,12+,15-/m1/s1",-4.5509,-4.4259,-3.9397,-3.8862,-3.8041,-3.5461,2.1122,2.2323,2.3469,2.3696,2.461,D07735_J01CE07,8026038310600060230006000012800c010000000040040020201080003200001800488701070013200f2038000000400903400010004000000200820004001408004802011018c003210d00a6e0010f00f804400100200840480e0a80010000080000000012200400400000800000004006310c604316200070005600800000,0400000c30b103,0180010000000000030088002a0000800000000000040000000000000000000000004600402804,80040400084000008242d5d841a59067b4fdfafa1f,0,6,38,3,0,6,45,47,-4.974,1.8459999999999999,4,1.0,0.0016589760000000002,-,2.2081,-,2.2081,https://www.genome.jp/dbget-bin/www_bget?dr:D07735
3107,D02348, Dicloxacillin (USAN/INN), Beta-lactamase resistant penicillins,J01CF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1Cl)Cl)C,470.32599999999996,3.5309,115.75399999999999,138.04,24,2,9,YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8491,-4.7913,-4.5637,-4.4174,-3.8792,-3.5434,1.973,2.0433,2.2412,2.3445,2.3696,D02348_J01CF01,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041352c0006e0010e80bc444001002000446a071a000146001810002c00522210a0801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.8389999999999995,1.8419999999999999,3,-6.0,0.015085736,+,3.7659,-,3.7659,https://www.genome.jp/dbget-bin/www_bget?dr:D02348
3108,D02137, Dicloxacillin sodium (USP), Beta-lactamase resistant penicillins,J01CF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1Cl)Cl)C,470.32599999999996,3.5309,115.75399999999999,138.04,24,2,9,YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8897,-4.8015,-4.5618,-4.4218,-3.8745,-3.5487,2.044,2.0813,2.2379,2.3466,2.3647,D02137_J01CF01,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041352c0006e0010e80bc444001002000446a071a000146001810002c00522210a0801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.841,1.838,3,0.0,0.015104686,+,3.7442,-,3.7442,https://www.genome.jp/dbget-bin/www_bget?dr:D02137
3109,D07733, Cloxacillin (INN), Beta-lactamase resistant penicillins,J01CF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1)Cl)C,435.881,2.8775,110.744,138.04,25,2,9,LQOLIRLGBULYKD-JKIFEVAISA-N,C19H18ClN3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",-4.8458,-4.7897,-4.5481,-4.4252,-3.8879,-3.5386,2.0531,2.064,2.2163,2.3625,2.3805,D07733_J01CF02,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041312c0006e0010e80bc444001002000446a071a000146001810002c0052221080801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.906000000000001,1.7990000000000002,3,1.0,0.003648486,+,3.6736,-,3.6736,https://www.genome.jp/dbget-bin/www_bget?dr:D07733
3110,D02231, Cloxacillin sodium (USP), Beta-lactamase resistant penicillins,J01CF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1)Cl)C,435.881,2.8775,110.744,138.04,25,2,9,LQOLIRLGBULYKD-JKIFEVAISA-N,C19H18ClN3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",-4.8482,-4.7833,-4.5629,-4.4213,-3.9368,-3.5069999999999997,2.0345,2.0428,2.2303,2.3731,2.3792,D02231_J01CF02,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041312c0006e0010e80bc444001002000446a071a000146001810002c0052221080801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.906000000000001,1.7990000000000002,3,0.0,0.003648122,+,3.6519,-,3.6519,https://www.genome.jp/dbget-bin/www_bget?dr:D02231
3111,D03571, Cloxacillin benzathine (USP), Beta-lactamase resistant penicillins,J01CF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1)Cl)C,435.881,2.8775,110.744,138.04,25,2,9,LQOLIRLGBULYKD-JKIFEVAISA-N,C19H18ClN3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",-4.9081,-4.7764,-4.5555,-4.4223,-3.8834,-3.5397,2.0340000000000003,2.0851,2.2309,2.3724,2.3798,D03571_J01CF02,a02213c3104400a02100060004500008510040882040000021020080003200009880480621278013000f003800208240090350001000400400160012000622148e004c20214418a041312c0006e0010e80bc444001002000446a071a000146001810002c0052221080801810810002005906313e60431e242170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000004b000000000000000000000004640403804,800404000840002143c2d5e961a5904fb4fdfafa1f,0,11,36,3,0,5,47,50,-4.904,1.7990000000000002,3,-1.0,0.0036451559999999997,+,3.6736,-,3.6736,https://www.genome.jp/dbget-bin/www_bget?dr:D03571
3112,D02196, Methicillin sodium (USAN), Beta-lactamase resistant penicillins,J01CF03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(cccc1OC)OC,380.416,1.2779,98.255,130.47,28,2,9,RJQXTJLFIWVMTO-TYNCELHUSA-N,C17H20N2O6S,COc1cccc(c1C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)OC,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",-4.5601,-4.4194,-3.8963,-3.7195,-3.6381,-3.5218,2.0512,2.0545,2.2291,2.3705,2.3746,D02196_J01CF03,80220183104004a421000600001300081000008000480000200000c0001200001c00400601070003008e023800000040090b4200100040000402000200040014082048000104188101210c0006e8010e00b00440010020084048170a00000000081400020012204200010200801000004006310c684316200878004601800000,0400000c50b103,0100030000000000030088002a0000804001000000000000000000000000000000004640402804,8004040008400000024295d901a1916794fdfafa1f,0,6,39,3,0,6,46,48,-4.573,1.984,3,,4.2593500000000005e-05,-,2.0569,-,2.0569,https://www.genome.jp/dbget-bin/www_bget?dr:D02196
3113,D08307, Oxacillin (INN), Beta-lactamase resistant penicillins,J01CF04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1ccccc1)C,401.436,2.2241,105.734,138.04,26,2,9,UWYHMGVUTGAWSP-JKIFEVAISA-N,C19H19N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",-4.8982,-4.79,-4.5729,-4.414,-3.9301,-3.5348,2.0428,2.0468,2.2342,2.3691,2.3765,D08307_J01CF04,a02211c3104000a02100060004500008510040882040000021000080001200009800480621278013000e003800208240090350001000400400160002000622148e004c20214418a041312c0006e0010e80b4444001002000406a071a00014600181000200052221080801000810002005906313e60431e240170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000000b000000000000000000000004640403804,800404000840002143c295e921a1904f94fdfafa1f,0,11,36,3,0,5,47,50,-4.891,1.8130000000000002,3,1.0,0.000571441,+,3.5864,-,3.5864,https://www.genome.jp/dbget-bin/www_bget?dr:D08307
3114,D00929, Oxacillin sodium (JAN/USP), Beta-lactamase resistant penicillins,J01CF04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1ccccc1)C,401.436,2.2241,105.734,138.04,26,2,9,UWYHMGVUTGAWSP-JKIFEVAISA-N,C19H19N3O5S,OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",-4.8978,-4.7891,-4.5567,-4.422,-3.9013,-3.5405,2.0397,2.0832,2.2301,2.3745,2.3918,D00929_J01CF04,a02211c3104000a02100060004500008510040882040000021000080001200009800480621278013000e003800208240090350001000400400160002000622148e004c20214418a041312c0006e0010e80b4444001002000406a071a00014600181000200052221080801000810002005906313e60431e240170004600a00008,0400000c00b103,0100010000000000030088002a000080400100000000b000000000000000000000004640403804,800404000840002143c295e921a1904f94fdfafa1f,0,11,36,3,0,5,47,50,-4.89,1.8130000000000002,3,0.0,0.000571441,+,3.5682,-,3.5682,https://www.genome.jp/dbget-bin/www_bget?dr:D00929
3115,D04196, Floxacillin (USAN), Beta-lactamase resistant penicillins,J01CF05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1F)Cl)C,453.87199999999996,3.0166,110.70200000000001,138.04,24,2,9,UIOFUWFRIANQPC-JKIFEVAISA-N,C19H17ClFN3O5S,O=C1C(NC(=O)c2c(C)onc2c2c(F)cccc2Cl)C2N1C(C(=O)O)C(S2)(C)C,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8472,-4.7892,-4.5643,-4.42,-3.8798,-3.5364,2.0021,2.0397,2.2312,2.356,2.3771,D04196_J01CF05,a02213c3104400a02380060004500008510040882040000021020080003200009880480621278053000f003800208240090350001000400400160012000622148e004c20214418a045312c0006e0010e80bc444001002000446a071a000146001810002c8452223090801810810002005906313e70431e242170004600a00008,0400000c00b103,0100010000000000030088002a00008040010000000cb000000000000000000000004640403804,800404000842002143c2d5e961a5904fb4fdfafa1f,1,11,36,3,0,5,47,50,-4.813,1.78,3,0.0,0.0068339709999999994,+,3.7519,-,3.7519,https://www.genome.jp/dbget-bin/www_bget?dr:D04196
3116,D01249, Flucloxacillin sodium (JAN), Beta-lactamase resistant penicillins,J01CF05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1F)Cl)C,453.87199999999996,3.0166,110.70200000000001,138.04,24,2,9,UIOFUWFRIANQPC-JKIFEVAISA-N,C19H17ClFN3O5S,O=C1C(NC(=O)c2c(C)onc2c2c(F)cccc2Cl)C2N1C(C(=O)O)C(S2)(C)C,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.8476,-4.7871,-4.5471,-4.4271,-3.9501,-3.5152,2.0462,2.1158,2.2273,2.37,2.3752,D01249_J01CF05,a02213c3104400a02380060004500008510040882040000021020080003200009880480621278053000f003800208240090350001000400400160012000622148e004c20214418a045312c0006e0010e80bc444001002000446a071a000146001810002c8452223090801810810002005906313e70431e242170004600a00008,0400000c00b103,0100010000000000030088002a00008040010000000cb000000000000000000000004640403804,800404000842002143c2d5e961a5904fb4fdfafa1f,1,11,36,3,0,5,47,50,-4.814,1.781,3,,0.006833,+,3.73,-,3.73,https://www.genome.jp/dbget-bin/www_bget?dr:D01249
3117,D07965, Flucloxacillin sodium salt, Beta-lactamase resistant penicillins,J01CF05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1F)Cl)C,453.87199999999996,3.0166,110.70200000000001,138.04,24,2,9,UIOFUWFRIANQPC-JKIFEVAISA-N,C19H17ClFN3O5S,O=C1C(NC(=O)c2c(C)onc2c2c(F)cccc2Cl)C2N1C(C(=O)O)C(S2)(C)C,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.9002,-4.7674,-4.5368,-4.4345,-3.8995,-3.5389,2.0507,2.1156,2.2285,2.3696,2.3722,D07965_J01CF05,a02213c3104400a02380060004500008510040882040000021020080003200009880480621278053000f003800208240090350001000400400160012000622148e004c20214418a045312c0006e0010e80bc444001002000446a071a000146001810002c8452223090801810810002005906313e70431e242170004600a00008,0400000c00b103,0100010000000000030088002a00008040010000000cb000000000000000000000004640403804,800404000842002143c2d5e961a5904fb4fdfafa1f,1,11,36,3,0,5,47,50,-4.814,1.7790000000000001,3,1.0,0.006840388,+,3.73,-,3.73,https://www.genome.jp/dbget-bin/www_bget?dr:D07965
3118,D08017, Flucloxacillin magnesium, Beta-lactamase resistant penicillins,J01CF05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(onc1c1c(cccc1F)Cl)C,453.87199999999996,3.0166,110.70200000000001,138.04,24,2,9,UIOFUWFRIANQPC-JKIFEVAISA-N,C19H17ClFN3O5S,O=C1C(NC(=O)c2c(C)onc2c2c(F)cccc2Cl)C2N1C(C(=O)O)C(S2)(C)C,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",-4.916,-4.7646,-4.5582,-4.422,-3.8956,-3.5338,2.0405,2.0688,2.2347,2.3702,2.4055,D08017_J01CF05,a02213c3104400a02380060004500008510040882040000021020080003200009880480621278053000f003800208240090350001000400400160012000622148e004c20214418a045312c0006e0010e80bc444001002000446a071a000146001810002c8452223090801810810002005906313e70431e242170004600a00008,0400000c00b103,0100010000000000030088002a00008040010000000cb000000000000000000000004640403804,800404000842002143c2d5e961a5904fb4fdfafa1f,1,11,36,3,0,5,47,50,-4.813,1.78,3,2.0,0.006828140999999999,+,3.73,-,3.73,https://www.genome.jp/dbget-bin/www_bget?dr:D08017
3119,D08242, Nafcillin (INN), Beta-lactamase resistant penicillins,J01CF06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(ccc2c1cccc2)OCC,414.475,2.8126,114.07600000000001,121.24,29,2,8,GPXLMGHLHQJAGZ-JTDSTZFVSA-N,C21H22N2O5S,CCOc1ccc2c(c1C(=O)NC1C(=O)N3C1SC(C3C(=O)O)(C)C)cccc2,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",-4.5476,-4.4239,-3.8993,-3.7218,-3.6417,-3.5578,2.0524,2.1252,2.23,2.3707,2.3716,D08242_J01CF06,80220183104004a421000600001300081000008000480000200000c0001200001c00400601070003088e02384000004009034200100040000082000200040014082048000104188101210c0006e8810e20b00440010020084048170a00000000081400020012200200010200801000004006310c684316200878004600800004,0400000c50b103,0100030000000000030088002a0000804001000000000000000000000000000000004640402804,8004040008400000024295c911b1936794fdfbff1f,0,11,40,3,0,6,51,54,-4.705,1.318,3,0.0,0.001180531,-,2.5024,-,2.5024,https://www.genome.jp/dbget-bin/www_bget?dr:D08242
3120,D00928, Nafcillin sodium (USP), Beta-lactamase resistant penicillins,J01CF06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)c1c(ccc2c1cccc2)OCC,414.475,2.8126,114.07600000000001,121.24,29,2,8,GPXLMGHLHQJAGZ-JTDSTZFVSA-N,C21H22N2O5S,CCOc1ccc2c(c1C(=O)NC1C(=O)N3C1SC(C3C(=O)O)(C)C)cccc2,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",-4.5562,-4.4207,-3.8918,-3.6981,-3.6324,-3.5316,2.04,2.0697,2.2295,2.3736,2.3755,D00928_J01CF06,80220183104004a421000600001300081000008000480000200000c0001200001c00400601070003088e02384000004009034200100040000082000200040014082048000104188101210c0006e8810e20b00440010020084048170a00000000081400020012200200010200801000004006310c684316200878004600800004,0400000c50b103,0100030000000000030088002a0000804001000000000000000000000000000000004640402804,8004040008400000024295c911b1936794fdfbff1f,0,11,40,3,0,6,51,54,-4.704,1.317,3,1.0,0.0011806660000000001,-,2.4743,-,2.4743,https://www.genome.jp/dbget-bin/www_bget?dr:D00928
3121,D08533, Sulbactam (INN), Beta-lactamase inhibitors,J01CG01,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)C([C@@H]2C(=O)O)(C)C,233.24200000000002,0.2237,54.1268,100.13,16,1,6,FKENQMMABCRJMK-RITPCOANSA-N,C8H11NO5S,OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C,"InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1",-7.0757,-7.0744,-4.551,-4.4305,-3.9264,-3.5861,2.3713,2.4199,2.4464,2.7975,2.841,D08533_J01CG01,a02201831040802021000400001000000000000000400000200000000012000818000c0400070003060e0010000000400903400010404000000201000004001408000800010008c000010c0006a0010e00300440012020004840020a000002000000000028122000000000008000000040041208604216204050004e00000000,0400000c00a103,030000000000000000008800200000000000000000000000800000000000000000004400402805,800404000840441a060395c821e9904f8a4d3afa19,0,0,23,4,0,1,26,27,-5.016,1.6569999999999998,2,0.0,1.50518e-07,+,1.1787,-,1.1787,https://www.genome.jp/dbget-bin/www_bget?dr:D08533
3122,D02223, Sulbactam sodium (JP17/USP), Beta-lactamase inhibitors,J01CG01,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)C([C@@H]2C(=O)O)(C)C,233.24200000000002,0.2237,54.1268,100.13,16,1,6,FKENQMMABCRJMK-RITPCOANSA-N,C8H11NO5S,OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C,"InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1",-7.0757,-7.0744,-4.551,-4.4305,-3.9264,-3.5861,2.3713,2.4199,2.4464,2.7975,2.841,D02223_J01CG01,a02201831040802021000400001000000000000000400000200000000012000818000c0400070003060e0010000000400903400010404000000201000004001408000800010008c000010c0006a0010e00300440012020004840020a000002000000000028122000000000008000000040041208604216204050004e00000000,0400000c00a103,030000000000000000008800200000000000000000000000800000000000000000004400402805,800404000840441a060395c821e9904f8a4d3afa19,0,0,23,4,0,1,26,27,-5.018,1.655,2,,1.50408e-07,+,1.1767,-,1.1767,https://www.genome.jp/dbget-bin/www_bget?dr:D02223
3123,D03705, Sulbactam benzathine (USAN), Beta-lactamase inhibitors,J01CG01,ANTIINFECTIVES FOR SYSTEMIC USE,c1cccc(c1)C[NH2+]CC[NH2+]Cc1ccccc1,242.359,0.5136,78.4348,33.22,22,2,0,JUHORIMYRDESRB-UHFFFAOYSA-P,C16H22N2++,[NH2+](Cc1ccccc1)CC[NH2+]Cc1ccccc1,"InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/p+2",-5.7278,-5.7028,-5.6919,-5.6770000000000005,-5.5632,-5.5499,1.996,2.05,2.0578,2.0745,2.3435,D03705_J01CG01,000200000000040000000600000100080000008000000000000000c000000000000040020000000000800028000000000000000000000000000000020000000000000000000400000020000002080000008000400000200040080100000000000010000200000000000000000000000000060104000100000000000000000000,0100000000f001,000040010400000000000000000000000000000000000000000000000000000000000200c02200,000000000000210000402a04884020000522452517,0,12,29,0,0,7,40,41,-15.574000000000002,-8.033999999999999,0,0.0,5.35451e-13,+,0.5442,-,0.5442,https://www.genome.jp/dbget-bin/www_bget?dr:D03705
3124,D03706, Sulbactam pivoxil (USAN), Beta-lactamase inhibitors,J01CG01,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)C([C@@H]2C(=O)OCOC(=O)C(C)(C)C)(C)C,347.384,1.2291,83.507,115.43,29,0,8,OHPVYKXTRACOSQ-ZJUUUORDSA-N,C14H21NO7S,O=C(C1N2C(=O)CC2S(=O)(=O)C1(C)C)OCOC(=O)C(C)(C)C,"InChI=1S/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1",-7.0697,-7.0677,-4.4177,-4.4174,-3.906,-3.6267,2.2403,2.2599,2.4241,2.8365,2.8918,D03706_J01CG01,a02201831040a02021000400021200040100002400408000200000000012000818000c0400070013060e0110000000400903400010c04040000201004004421408002800011008c000010c0006a0010e00b00440013020006840020a0000220000200008281a20000000000080000000400d1308604216204050004e00000000,0400000030a105,0b0000000000000000009000200000000000000000000000800000000000000000004400402805,800404080840441a060395c921f9906f8a593aff19,0,0,40,5,0,6,44,45,-10.577,-1.81,2,,0.010865285,+,2.0756,-,2.0756,https://www.genome.jp/dbget-bin/www_bget?dr:D03706
3125,D00660, Tazobactam (JP17/USAN/INN), Beta-lactamase inhibitors,J01CG02,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)[C@@]([C@@H]2C(=O)O)(C)Cn1ccnn1,300.291,-0.5045,68.4898,130.84,19,1,9,LPQZKKCYTLCDGQ-WEDXCCLWSA-N,C10H12N4O5S,OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",-7.0792,-7.0618,-4.5643,-4.4207,-3.9205,-3.6176,2.3626,2.3803,2.4316,2.8246,2.9384,D00660_J01CG02,a0aa01871040882031000601001000000030000030400000200000000012200818004c0400170003160e181800000240092344001040401880030100200430140c040c00010008c400018c0006a0010e0038054001202000c841021a40002200000000002812200c000000008000180040041288604216605854004e00000200,0400000c00b103,030000000000000000008800200000000000000000009800800000000000000000004600403805,8004040008404c1a27d595ec29e994cf8a6d2aff1b,0,5,25,4,0,3,32,34,-5.49,1.2,3,,2.41487e-07,+,1.9099,-,1.9099,https://www.genome.jp/dbget-bin/www_bget?dr:D00660
3126,D03707, Tazobactam sodium (USAN), Beta-lactamase inhibitors,J01CG02,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)[C@@]([C@@H]2C(=O)O)(C)Cn1ccnn1,300.291,-0.5045,68.4898,130.84,19,1,9,LPQZKKCYTLCDGQ-WEDXCCLWSA-N,C10H12N4O5S,OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",-7.0748,-7.0658,-4.5575,-4.4204,-3.9353,-3.6279,2.3598,2.3791,2.4303,2.832,2.9357,D03707_J01CG02,a0aa01871040882031000601001000000030000030400000200000000012200818004c0400170003160e181800000240092344001040401880030100200430140c040c00010008c400018c0006a0010e0038054001202000c841021a40002200000000002812200c000000008000180040041288604216605854004e00000200,0400000c00b103,030000000000000000008800200000000000000000009800800000000000000000004600403805,8004040008404c1a27d595ec29e994cf8a6d2aff1b,0,5,25,4,0,3,32,34,-5.489,1.204,3,4.0,2.41452e-07,+,1.9049,-,1.9049,https://www.genome.jp/dbget-bin/www_bget?dr:D03707
3127,D00230, Amoxicillin - potassium clavulanate com," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],366.412,-0.3643,95.8446,159.88,27,4,8,LSQZJLSUYDQPKJ-NJBDSQKTSA-O,C16H20N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p+1/t9-,10-,11+,14-/m1/s1",-5.7598,-5.3999,-5.3807,-5.3611,-4.5475,-4.43,2.2264,2.352,2.3724,2.4512,2.6131,D00230_J01CR02,8026018310600420230006000010000c000000000040320020000080001200001800408703070003008e2038000000400903420010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200200000000800000004006310c604316200870004600000000,0500000c02f103,0100c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,8004040008402100024295c801a19147946dfafa1f,0,6,38,3,0,5,45,47,-7.6770000000000005,-1.535,4,-1.0,7.92467e-05,-,2.1371,-,2.1371,https://www.genome.jp/dbget-bin/www_bget?dr:D00230
3128,D00230, Amoxicillin - potassium clavulanate com, Combinations of antibacterials,J01RA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],366.412,-0.3643,95.8446,159.88,27,4,8,LSQZJLSUYDQPKJ-NJBDSQKTSA-O,C16H20N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p+1/t9-,10-,11+,14-/m1/s1",-5.7687,-5.3909,-5.388999999999999,-5.3567,-4.5653,-4.4363,2.2414,2.3383,2.3918,2.5486,2.5697,D00230_J01RA01,8026018310600420230006000010000c000000000040320020000080001200001800408703070003008e2038000000400903420010004000000200020004001408004800010018c001210c0006e8010f00b004400100200840480e0a80000000081000000012200200000000800000004006310c604316200870004600000000,0500000c02f103,0100c10004000000030088002a0000c00100000000010000000000000000000000004600c02a04,8004040008402100024295c801a19147946dfafa1f,0,6,38,3,0,5,45,47,-7.6770000000000005,-1.535,4,-1.0,7.92467e-05,-,2.1371,-,2.1371,https://www.genome.jp/dbget-bin/www_bget?dr:D00230
3129,D02503, Ticarcillin- clavulanate," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)O)c1ccsc1,384.42699999999996,0.8768,94.3123,177.55,23,3,10,OHKOGUYZJXTSFX-KIKITERTSA-N,C15H16N2O6S2,O=C(C(c1cscc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8+,9-,12+/m0/s1",-4.5663,-4.5446,-4.4266,-4.4094,-3.9055,-3.8963,2.2317,2.3689,2.3734,2.3783,2.4007,D02503_J01CR03,802ac18310600320230006000010000c040000200040000020000004015200001800000781070003800ea07800000040094340001000c000000200020004001c080068000110188001210c000ee0011f803004400102200040600e0a80010000080000000013300000000000c00010004006308e604b16200070004600000100,0400000c00b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1b,0,5,34,4,0,6,41,43,-2.479,5.0280000000000005,4,1.0,1.6205899999999999e-09,-,3.415,-,3.415,https://www.genome.jp/dbget-bin/www_bget?dr:D02503
3130,D02503, Ticarcillin- clavulanate, Combinations of antibacterials,J01RA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@@H](C(=O)O)c1ccsc1,384.42699999999996,0.8768,94.3123,177.55,23,3,10,OHKOGUYZJXTSFX-KIKITERTSA-N,C15H16N2O6S2,O=C(C(c1cscc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8+,9-,12+/m0/s1",-4.5716,-4.5479,-4.4266,-4.4206,-3.8892,-3.8757,2.2319,2.3622,2.369,2.3987,2.4587,D02503_J01RA01,802ac18310600320230006000010000c040000200040000020000004015200001800000781070003800ea07800000040094340001000c000000200020004001c080068000110188001210c000ee0011f803004400102200040600e0a80010000080000000013300000000000c00010004006308e604b16200070004600000100,0400000c00b103,0500010000000000030088002a000080000000000000c000000000000000000000004600402804,8004040008401000024295c901a19047946d7afa1b,0,5,34,4,0,6,41,43,-2.479,5.0280000000000005,4,1.0,1.6205899999999999e-09,-,3.415,-,3.415,https://www.genome.jp/dbget-bin/www_bget?dr:D02503
3131,D05972, Sultamicillin (USAN/INN)," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR04,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)C([C@@H]2C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+])(C)C,595.665,0.0421,149.668,217.78,44,2,13,OPYGFNJSCUDTBT-PMLPCWDUSA-O,C25H31N4O9S2+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C)(C)C,"InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/p+1/t14-,15-,16-,17+,18+,21-/m1/s1",-7.0729,-7.0727,-5.7938,-5.3933,-5.3774,-5.3765,2.4231,2.5839999999999996,2.8098,2.8353,3.0651,D05972_J01CR04,a02601831060a420230006000212000c0100002400408000200000800012000818004c8703070013068e2138000000400903400010c04040000201024004421408006800011018c001210c0006e8010f00b004400130200868480e0a8000220008300008281a20000000000080000000400f330c604316204070004e00000000,0500000030f105,0300c10004000000030090002a0000400100000000000000800000000000000000004600c02a05,800404080840651a064395c921f9906f9e797aff1f,0,6,62,7,0,10,71,75,-11.965,-4.559,6,-8.0,3.32573e-05,+,7.9446,-,7.9446,https://www.genome.jp/dbget-bin/www_bget?dr:D05972
3132,D01668, Sultamicillin tosilate hydrate (JP17)," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR04,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(=O)N2[C@@H]1S(=O)(=O)C([C@@H]2C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)[C@@H](c1ccccc1)[NH3+])(C)C,595.665,0.0421,149.668,217.78,44,2,13,OPYGFNJSCUDTBT-PMLPCWDUSA-O,C25H31N4O9S2+,O=C(C(c1ccccc1)[NH3+])NC1C(=O)N2C1SC(C2C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C)(C)C,"InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/p+1/t14-,15-,16-,17+,18+,21-/m1/s1",-7.0778,-7.0648,-5.7633,-5.3917,-5.3876,-5.3576,2.4198,2.5859,2.8134,2.8249,3.1087,D01668_J01CR04,a02601831060a420230006000212000c0100002400408000200000800012000818004c8703070013068e2138000000400903400010c04040000201024004421408006800011018c001210c0006e8010f00b004400130200868480e0a8000220008300008281a20000000000080000000400f330c604316204070004e00000000,0500000030f105,0300c10004000000030090002a0000400100000000000000800000000000000000004600c02a05,800404080840651a064395c921f9906f9e797aff1f,0,6,62,7,0,10,71,75,-11.965,-4.56,6,1.0,3.32045e-05,+,7.9446,-,7.9446,https://www.genome.jp/dbget-bin/www_bget?dr:D01668
3133,D02505, Tazobactam and piperacillin for injecti," Combinations of penicillins, incl. beta-lactamase inhibitors",J01CR05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](c1ccccc1)NC(=O)N1C(=O)C(=O)N(CC1)CC,517.555,0.3552,138.804,181.73,39,3,13,IVBHGBMCVLDMKU-LDNFRZNASA-N,C23H27N5O7S,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14+,15-,20+/m0/s1",-5.3168,-4.6080000000000005,-4.5511,-4.4223,-4.2898,-4.2205,2.4361,2.4932,2.5291,2.6479,2.6507,D02505_J01CR05,8026018310600420230006000011000c000000800040000020000080001200001800408723070003008e2138000102c00903400050004000000200021044001408004800010018c001210c0006e8010f00b004400100200940480e0a8000000408300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040000000000000000000000000000004640402804,80040400184020008256b5cf0bebba47957f7fff1f,0,6,54,6,0,9,63,66,-4.88,1.5719999999999998,4,0.0,0.0005421930000000001,-,4.9677,-,4.9677,https://www.genome.jp/dbget-bin/www_bget?dr:D02505
3134,D02505, Tazobactam and piperacillin for injecti, Combinations of antibacterials,J01RA01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)[C@H](c1ccccc1)NC(=O)N1C(=O)C(=O)N(CC1)CC,517.555,0.3552,138.804,181.73,39,3,13,IVBHGBMCVLDMKU-LDNFRZNASA-N,C23H27N5O7S,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14+,15-,20+/m0/s1",-5.3092,-4.6,-4.5648,-4.4165,-4.292,-4.2195,2.3736,2.4367,2.5325,2.6284,2.6471,D02505_J01RA01,8026018310600420230006000011000c000000800040000020000080001200001800408723070003008e2138000102c00903400050004000000200021044001408004800010018c001210c0006e8010f00b004400100200940480e0a8000000408300002041220000000000080000000400e310c604316200070804700000100,0400000c00b143,0100010000000000030088002a0000c00040040000000000000000000000000000004640402804,80040400184020008256b5cf0bebba47957f7fff1f,0,6,54,6,0,9,63,66,-4.88,1.5719999999999998,4,0.0,0.0005421930000000001,-,4.9677,-,4.9677,https://www.genome.jp/dbget-bin/www_bget?dr:D02505
3135,D00263, Cefalexin (JP17), First-generation cephalosporins,J01DB01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)[NH3+],348.397,0.0569,93.3096,139.65,24,3,7,ZAIPMKNFIOOWCQ-UEKVPHQBSA-O,C16H18N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7986,-5.3862,-5.3805,-5.3657,-4.9207,-4.7267,2.2132,2.3474,2.4139,2.5218,2.5984,D00263_J01DB01,800611a391600424232146c00000000c5005040000404000200000a0001200041800408703030002008e203900800040280370021800010080020002000400144c004800010019c005210c0006c8010b00b004400100210840480e0a800400110c9400002002200000000000800000014006310c004312200060004280004000,0500800c00f103,0100c10004000000030088002a0000c00101000000000000000000000000000000004640c07a04,80040000085023000048914c17219447946d6bfb1f,0,6,34,4,0,5,42,44,-6.851,-2.5380000000000003,3,-1.0,0.000113574,-,2.2745,-,2.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00263
3136,D00906, Cephalexin (USP), First-generation cephalosporins,J01DB01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)[NH3+],348.397,0.0569,93.3096,139.65,24,3,7,ZAIPMKNFIOOWCQ-UEKVPHQBSA-O,C16H18N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7612,-5.3979,-5.3771,-5.3757,-4.9151,-4.7556,2.1994,2.3464,2.3944,2.6543,2.7426,D00906_J01DB01,800611a391600424232146c00000000c5005040000404000200000a0001200041800408703030002008e203900800040280370021800010080020002000400144c004800010019c005210c0006c8010b00b004400100210840480e0a800400110c9400002002200000000000800000014006310c004312200060004280004000,0500800c00f103,0100c10004000000030088002a0000c00101000000000000000000000000000000004640c07a04,80040000085023000048914c17219447946d6bfb1f,0,6,34,4,0,5,42,44,-6.85,-2.539,3,0.0,0.000113645,-,2.2745,-,2.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00906
3137,D03438, Cephalexin hydrochloride (USP), First-generation cephalosporins,J01DB01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)[NH3+],348.397,0.0569,93.3096,139.65,24,3,7,ZAIPMKNFIOOWCQ-UEKVPHQBSA-O,C16H18N3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7671,-5.3973,-5.3801,-5.3597,-4.9025,-4.7344,2.2017,2.3453,2.4007,2.5298,2.6468,D03438_J01DB01,800611a391600424232146c00000000c5005040000404000200000a0001200041800408703030002008e203900800040280370021800010080020002000400144c004800010019c005210c0006c8010b00b004400100210840480e0a800400110c9400002002200000000000800000014006310c004312200060004280004000,0500800c00f103,0100c10004000000030088002a0000c00101000000000000000000000000000000004640c07a04,80040000085023000048914c17219447946d6bfb1f,0,6,34,4,0,5,42,44,-6.846,-2.539,3,1.0,0.00011357,-,2.2745,-,2.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D03438
3138,D01075, Cephaloridine (USAN), First-generation cephalosporins,J01DB02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1ccccc1)C(=O)O)C(=O)[C@H]2NC(=O)Cc1sccc1,416.494,2.1408,110.40100000000001,145.18,24,2,8,HSNQDNVCEKNVQC-CRAIPNDOSA-N,C19H18N3O4S2,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1ccccc1)Cc1cccs1,"InChI=1S/C19H18N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H,20,23)(H,25,26)/t15-,18-/m1/s1",-4.9153,-4.752,-3.8738,-3.8563,-3.8015,-3.4375,1.7577,1.882,1.9456,2.3642,2.4198,D01075_J01DB02,8026d1a391600034232546c00000000c54050610004248002088002c003200061801508701030002800f2879008800402d0370031840010088030002000400344c404800012019c205210d0016e0010b803005d081022100c0404e0a800400110c840020a002300200000000804000014016300c0043122000e0004380004100,0400800c00b103,0200410200000000030088002a000080000100000000c000000000000000000000004640407804,800400000850020000ccb5cc9f61b0c79d6f6f7f1f,0,5,45,4,0,7,51,54,-7.934,-3.173,2,0.0,0.035373718,-,3.2569,-,3.2569,https://www.genome.jp/dbget-bin/www_bget?dr:D01075
3139,D07635, Cefalotin (BAN), First-generation cephalosporins,J01DB03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)Cc1sccc1,396.43800000000005,0.9211,98.1205,166.55,24,2,10,XIURVHNZVLADCM-IUODEOHRSA-N,C16H16N2O6S2,CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",-4.9091,-4.736000000000001,-4.4228,-3.8852,-3.8832,-3.8018,1.8424,1.8753,2.0813,2.349,2.3992,D07635_J01DB03,9006d1a391600034232146c00012200c540504000042400020100024003600861800408701070003800e2879208800402c0370021840012088020002000442144c404800012019c205210c0016e0010b81b004c00103214240404f0a800400110c840000a002200600000000804030014016310c604312200060004280004100,0400800c30b107,0300010000000000030098002a000080000100000000c000000000000000000000004640407805,8004000008500200004895cc977198679c6f6aff1f,0,5,34,5,0,8,42,44,-5.1370000000000005,1.675,2,0.0,0.000245021,-,3.4918,-,3.4918,https://www.genome.jp/dbget-bin/www_bget?dr:D07635
3140,D00907, Cephalothin sodium (USP), First-generation cephalosporins,J01DB03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)Cc1sccc1,396.43800000000005,0.9211,98.1205,166.55,24,2,10,XIURVHNZVLADCM-IUODEOHRSA-N,C16H16N2O6S2,CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",-4.9121,-4.7384,-4.4248,-3.8921,-3.8917,-3.8009,1.8454,1.9057,2.0904,2.3545,2.4058,D00907_J01DB03,9006d1a391600034232146c00012200c540504000042400020100024003600861800408701070003800e2879208800402c0370021840012088020002000442144c404800012019c205210c0016e0010b81b004c00103214240404f0a800400110c840000a002200600000000804030014016310c604312200060004280004100,0400800c30b107,0300010000000000030098002a000080000100000000c000000000000000000000004640407805,8004000008500200004895cc977198679c6f6aff1f,0,5,34,5,0,8,42,44,-5.136,1.676,2,,0.000245025,-,3.4741,-,3.4741,https://www.genome.jp/dbget-bin/www_bget?dr:D00907
3141,D02299, Cefazolin (USP), First-generation cephalosporins,J01DB04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnc(s1)C)C(=O)O)C(=O)[C@H]2NC(=O)Cn1cnnn1,454.50699999999995,-0.3073,106.69,234.93,26,2,15,MLYYVTUWGNIJIB-BXKDBHETSA-N,C14H14N8O4S3,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",-4.9111,-4.7403,-3.937,-3.8792,-3.7992,-3.4256,1.8296,1.9217,2.0928,2.3497,2.4072,D02299_J01DB04,c40a11ab914104a4f52145c004000088540504000240600020000028015204061c00000682030423880e0c3100800640280374023800c100800a02c0000480954c284800012e1be005212c000ec0090a80310440010029004240040a080400111c840030a00322080c80000080001001c007380c204312601875184282004000,0400800c00b103,0100090020000000030088002a000080000100000000d800000000000000000000004640407804,8004000008500a8421dc95ec9f63904f9e6f6aff1f,0,10,32,4,0,8,43,46,-5.255,1.286,2,,0.00031304200000000003,+,5.5435,-,5.5435,https://www.genome.jp/dbget-bin/www_bget?dr:D02299
3142,D00905, Cefazolin sodium (JP17/USP), First-generation cephalosporins,J01DB04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnn(s1)C)C(=O)O)C(=O)[C@H]2NC(=O)C[N]1=NN=NC1,457.51099999999997,-1.6142,119.992,245.7,28,2,14,CLILZDYVIZBMPP-LDYMZIIASA-N,C13H15N9O4S3,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnn(s1)C)C[N]1=NN=NC1,"InChI=1S/C13H15N9O4S3/c1-20-18-16-13(29-20)28-4-6-3-27-11-8(10(24)22(11)9(6)12(25)26)15-7(23)2-21-5-14-17-19-21/h8,11H,2-5H2,1H3,(H,15,23)(H,25,26)/t8-,11-/m1/s1",-4.8975,-4.7439,-4.5156,-3.8892,-3.8792,-3.8025,1.9748,2.195,2.2512,2.35,2.4029,D00905_J01DB04,c00211b3914c0026e1a14cc0010030087e05040810504090211000280012000418e0000e025b04c6000e013118800040280370021800210888060000100400144c0849000500198005212e1016e0410e03300440810821004060840a000400110ca4030020022000140080008201000bc00c300e00e212200060014280504400,0400800c00a103,0000010000000000030088002a0000c00001000000000000000000800000000000004440437804,8004008809501a803cdcb5fe9f63d04f9e6f6aff1d,0,0,44,6,0,8,47,50,-9.36,-7.806,2,,0.000106699,+,5.5221,-,5.5221,https://www.genome.jp/dbget-bin/www_bget?dr:D00905
3143,D02226, Cefazolin sodium hydrate (JP17), First-generation cephalosporins,J01DB04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnn(s1)C)C(=O)O)C(=O)[C@H]2NC(=O)C[N]1=NN=NC1,457.51099999999997,-1.6142,119.992,245.7,28,2,14,CLILZDYVIZBMPP-LDYMZIIASA-N,C13H15N9O4S3,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnn(s1)C)C[N]1=NN=NC1,"InChI=1S/C13H15N9O4S3/c1-20-18-16-13(29-20)28-4-6-3-27-11-8(10(24)22(11)9(6)12(25)26)15-7(23)2-21-5-14-17-19-21/h8,11H,2-5H2,1H3,(H,15,23)(H,25,26)/t8-,11-/m1/s1",-4.9041,-4.7404,-4.5175,-3.8979,-3.8833,-3.8025,2.051,2.1962,2.2557,2.3489,2.4014,D02226_J01DB04,c00211b3914c0026e1a14cc0010030087e05040810504090211000280012000418e0000e025b04c6000e013118800040280370021800210888060000100400144c0849000500198005212e1016e0410e03300440810821004060840a000400110ca4030020022000140080008201000bc00c300e00e212200060014280504400,0400800c00a103,0000010000000000030088002a0000c00001000000000000000000800000000000004440437804,8004008809501a803cdcb5fe9f63d04f9e6f6aff1d,0,0,44,6,0,8,47,50,-9.36,-7.806,2,,0.000106699,+,5.5221,-,5.5221,https://www.genome.jp/dbget-bin/www_bget?dr:D02226
3144,D00257, Cefadroxil (JP17), First-generation cephalosporins,J01DB05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],364.39599999999996,-0.2375,95.3326,159.88,25,4,8,BOEGTKLJZSQCCD-UEKVPHQBSA-O,C16H18N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/p+1/t10-,11-,15-/m1/s1",-5.7925,-5.3973,-5.3741,-5.3735,-4.9387,-4.7572,2.2068,2.3432,2.4109,2.6223,2.7391,D00257_J01DB05,800611a391600424232146c00000000c5005040000407200200000a0001200041800408703030002008e203900800040280372021800010080020002000400144c004800010019c005210c0006c8010b00b004400100210840480e0a800400110c9400002002200200000000800000014006310c004312200860004280004000,0500800c02f103,0100c10004000000030088002a0000c00101000000010000000000000000000000004640c07a04,80040000085023000048914c17219547946debfb1f,0,6,35,4,0,5,43,45,-6.837999999999999,-2.503,3,,5.74872e-05,-,2.3103,-,2.3103,https://www.genome.jp/dbget-bin/www_bget?dr:D00257
3145,D02353, Cefadroxil (USP), First-generation cephalosporins,J01DB05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],364.39599999999996,-0.2375,95.3326,159.88,25,4,8,BOEGTKLJZSQCCD-UEKVPHQBSA-O,C16H18N3O5S+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/p+1/t10-,11-,15-/m1/s1",-5.76,-5.3979,-5.382000000000001,-5.3631,-4.9059,-4.7403,2.199,2.3549,2.4046,2.523,2.6746,D02353_J01DB05,800611a391600424232146c00000000c5005040000407200200000a0001200041800408703030002008e203900800040280372021800010080020002000400144c004800010019c005210c0006c8010b00b004400100210840480e0a800400110c9400002002200200000000800000014006310c004312200860004280004000,0500800c02f103,0100c10004000000030088002a0000c00101000000010000000000000000000000004640c07a04,80040000085023000048914c17219547946debfb1f,0,6,35,4,0,5,43,45,-6.837999999999999,-2.503,3,,5.7455100000000005e-05,-,2.3103,-,2.3103,https://www.genome.jp/dbget-bin/www_bget?dr:D02353
3146,D07237, Cefazedone (INN), First-generation cephalosporins,J01DB06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]2N(C1=O)C(=C(CS2)CSc1nnc(s1)C)C(=O)O)NC(=O)Cn1cc(c(=O)c(c1)Cl)Cl,548.443,2.1747,129.596,213.33,25,2,13,VTLCNEGVSVJLDN-MLGOLLRUSA-N,C18H15Cl2N5O5S3,Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1cc(Cl)c(=O)c(c1)Cl,"InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1",-4.9159,-4.7518,-3.8895,-3.8719,-3.8037,-3.6166,1.7558,1.883,2.2917,2.3471,2.4061,D07237_J01DB06,c40213a391410424f52147c00400008854050400024060002002002800da000e1a00100602038422988f0c3900800040280370023800210080420240000480954c284c0401281ba005254c000ec8090e8039054005002100c240048a080420131c840030a20322004480000080000401c007384c204312200875184282804100,0400800c00b103,0100090020000000030088002a000080400300000004d900000000000000000000004640407804,8004000008500a8401ccd5ecdf67914fbcefebff1f,0,11,35,5,0,8,48,51,-5.331,1.226,2,2.0,0.06690652700000001,+,6.2522,-,6.2522,https://www.genome.jp/dbget-bin/www_bget?dr:D07237
3147,D02406, Cefatrizine (USAN), First-generation cephalosporins,J01DB07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1cnn[nH]1)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],463.51099999999997,-0.34700000000000003,116.515,226.75,29,5,11,UOCJDOLVGGIYIQ-PBFPGSCMSA-O,C18H19N6O5S2+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1cnn[nH]1,"InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/p+1/t12-,13-,17-/m1/s1",-5.7739,-5.3889,-5.3841,-5.3586,-4.9021,-4.7407,2.2022,2.3367,2.399,2.5151,2.5301,D02406_J01DB07,e40611a7d1600434e32146c00000000c5005040200c07200240004a0101300041800408703030443008e2039008002402803760218000104800200020004c0154d084c00010019c205210c0006d8010b00b804402100210840480e1a880400110c940010200320020480008080000001c007310c204312201862104280004000,0500800c02f103,0000c90024000000030088002a0000c00101000000019400000000000000000000004640c07a04,8004000008502b8431d895ee1721914f966feb7f1f,0,11,38,4,0,8,50,53,-7.271,-2.6489999999999996,3,1.0,0.002959779,+,3.8059,-,3.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D02406
3148,D02711, Propylene glycolate cefatrizine (JP17), First-generation cephalosporins,J01DB07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1[nH]nnc1)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],463.51099999999997,-0.34700000000000003,116.515,226.75,29,5,11,UOCJDOLVGGIYIQ-PBFPGSCMSA-O,C18H19N6O5S2+,O=C(C(c1ccc(cc1)O)[NH3+])NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1cnn[nH]1,"InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/p+1/t12-,13-,17-/m1/s1",-5.7528,-5.3982,-5.3878,-5.3692,-4.9278,-4.7511,2.2102,2.3658,2.4071,2.7395,2.7494,D02711_J01DB07,e40611a7d1600434e32146c00000000c5005040200c07200240004a0101300041800408703030443008e2039008002402803760218000104800200020004c0154d084c00010019c205210c0006d8010b00b804402100210840480e1a880400110c940010200320020480008080000001c007310c204312201862104280004000,0500800c02f103,0000c90024000000030088002a0000c00101000000019400000000000000000000004640c07a04,8004000008502b8431d895ee1721914f966feb7f1f,0,11,38,4,0,8,50,53,-7.421,-2.681,3,,0.002942882,+,3.8059,-,3.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D02711
3149,D07636, Cefapirin (BAN), First-generation cephalosporins,J01DB08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)CSc1ccncc1,423.463,0.8042,104.79299999999999,176.5,27,2,11,UQLLWWBDSUHNEB-CZUORRHYSA-N,C17H17N3O6S2,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",-4.9258,-4.756,-4.4245,-3.9269,-3.8932,-3.8036,1.7438,1.8401,2.011,2.3562,2.4024,D07636_J01DB08,b00291a391400034212146c00012200c500584000040400020100020003600841800000600078023008e003920800040280372021800212080020000080442144c004c000100198005210c0007c8010a01b00460050121424040050a000402110c8400002002218600000080800035014106310c604312200062004282004000,0400800c30b107,0100090020000000030098002a0000800001000000009000000000000000000000004640407805,80040000085002840148914c977198679c6f6bff1f,0,6,36,5,0,9,45,47,-5.155,1.23,2,0.0,0.000607956,-,2.968,-,2.968,https://www.genome.jp/dbget-bin/www_bget?dr:D07636
3150,D00908, Cephapirin sodium (USP), First-generation cephalosporins,J01DB08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)CSc1ccncc1,423.463,0.8042,104.79299999999999,176.5,27,2,11,UQLLWWBDSUHNEB-CZUORRHYSA-N,C17H17N3O6S2,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",-4.9181,-4.7465,-4.422,-3.8875,-3.886,-3.7953,1.6677,1.7571,1.8971,2.3518,2.4052,D00908_J01DB08,b00291a391400034212146c00012200c500584000040400020100020003600841800000600078023008e003920800040280372021800212080020000080442144c004c000100198005210c0007c8010a01b00460050121424040050a000402110c8400002002218600000080800035014106310c604312200062004282004000,0400800c30b107,0100090020000000030098002a0000800001000000009000000000000000000000004640407805,80040000085002840148914c977198679c6f6bff1f,0,6,36,5,0,9,45,47,-5.155,1.225,2,0.0,0.00060746,-,2.947,-,2.947,https://www.genome.jp/dbget-bin/www_bget?dr:D00908
3151,D07637, Cephapirin benzathine (USP), First-generation cephalosporins,J01DB08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)CSc1ccncc1,423.463,0.8042,104.79299999999999,176.5,27,2,11,UQLLWWBDSUHNEB-CZUORRHYSA-N,C17H17N3O6S2,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",-4.9369,-4.7508,-4.4239999999999995,-3.8874,-3.8859,-3.8024,1.7526,1.8203,1.9909999999999999,2.3518,2.4248,D07637_J01DB08,b00291a391400034212146c00012200c500584000040400020100020003600841800000600078023008e003920800040280372021800212080020000080442144c004c000100198005210c0007c8010a01b00460050121424040050a000402110c8400002002218600000080800035014106310c604312200062004282004000,0400800c30b107,0100090020000000030098002a0000800001000000009000000000000000000000004640407805,80040000085002840148914c977198679c6f6bff1f,0,6,36,5,0,9,45,47,-5.155,1.225,2,1.0,0.000607599,-,2.968,-,2.968,https://www.genome.jp/dbget-bin/www_bget?dr:D07637
3152,D00264, Cephradine (USP), First-generation cephalosporins,J01DB09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](C1=CCC=CC1)[NH3+],350.413,-0.0394,94.6026,139.65,26,3,7,RDLPVSKMFDYCOR-UEKVPHQBSA-O,C16H20N3O4S+,O=C(C(C1=CCC=CC1)[NH3+])NC1C(=O)N2C1SCC(=C2C(=O)O)C,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7648,-5.3956,-5.3799,-5.3764,-4.9096,-4.7351,2.1904,2.3403,2.4007,2.5254,2.5869999999999997,D00264_J01DB09,800211a391400024212544c00000000c500504900040400020000020001220041808100603830002000e0031018000402903720218000100c0030000000400344c0048000104198005210c0006c0130e0030054101002100c8c0160a400400110e8400226002280000000000800000014004300c004292200060004b92004100,0500800c00e103,1300c10004000000030088002a0000c00101000000000000000000000000000000004440c37a04,80040000085023000048914e17219447956d6bfb1d,0,0,40,6,0,5,44,46,-6.886,-2.596,3,1.0,0.000128959,-,2.5092,-,2.5092,https://www.genome.jp/dbget-bin/www_bget?dr:D00264
3153,D07629, Cefacetrile (INN), First-generation cephalosporins,J01DB10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)CC#N,339.324,-0.46942,80.3125,162.1,22,2,10,RRYMAQUWDLIUPV-BXKDBHETSA-N,C13H13N3O6S,CC(=O)OCC1=C(N2C(SC1)C(C2=O)NC(=O)CC#N)C(=O)O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",-4.9308,-4.7575,-4.4228,-3.9173,-3.9043,-3.8031,1.755,1.8428,2.077,2.3551,2.4081,D07629_J01DB10,900291a39140002421214cc00012200c500504000040400020100020003600841800000601070043000e003120800040280370021800012080020000000442144c0048000100198005210c0006c0010a01b00440010121424040070a000400110c8400002002200600000800800030014006310c604312200060004284004000,0400800c30a117,0300010000000000030098002a0000801001000000000000000000000000000000004440407805,800400000851020000c8914c977198679c6f6aff1d,0,0,31,5,1,7,36,37,-5.202000000000001,2.426,2,1.0,1.01373e-05,-,2.2372,-,2.2372,https://www.genome.jp/dbget-bin/www_bget?dr:D07629
3154,D01262, Cephacetrile sodium (USAN), First-generation cephalosporins,J01DB10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)CC#N,339.324,-0.46942,80.3125,162.1,22,2,10,RRYMAQUWDLIUPV-BXKDBHETSA-N,C13H13N3O6S,CC(=O)OCC1=C(N2C(SC1)C(C2=O)NC(=O)CC#N)C(=O)O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",-4.9244,-4.7528,-4.4264,-3.9185,-3.8811,-3.8003,1.7549,1.8473,2.0183,2.3523,2.4004,D01262_J01DB10,900291a39140002421214cc00012200c500504000040400020100020003600841800000601070043000e003120800040280370021800012080020000000442144c0048000100198005210c0006c0010a01b00440010121424040070a000400110c8400002002200600000800800030014006310c604312200060004284004000,0400800c30a117,0300010000000000030098002a0000801001000000000000000000000000000000004440407805,800400000851020000c8914c977198679c6f6aff1d,0,0,31,5,1,7,36,37,-5.202999999999999,2.428,2,,1.01192e-05,-,2.2179,-,2.2179,https://www.genome.jp/dbget-bin/www_bget?dr:D01262
3155,D01528, Cefroxadine (USAN), First-generation cephalosporins,J01DB11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)OC)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](C1=CCC=CC1)[NH3+],366.412,-0.4554,95.6876,148.88,27,3,8,RDMOROXKXONCAL-UEKVPHQBSA-O,C16H20N3O5S+,COC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(C1=CCC=CC1)[NH3+],"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7411,-5.3987,-5.3761,-5.371,-4.9034,-4.7575,2.191,2.3436,2.3948,2.5638,2.7533,D01528_J01DB11,800211a711c00024212544c000c2000c502504900050404030000020009221041808100603820002100e0031018000402903720238000500c0030000000440344c0848000104198205210c8006c0138e00b0056101102300c9c0160a400400111e9400226002280020000000800000014104300c404092200060004992004100,0500000c30e103,1200c10004000000030288002a0000c04101000000000000000000000000000000004440c37a04,80040000085023000048915f172198679d6debfb1d,0,0,41,6,0,6,45,47,-6.778,-2.575,3,0.0,4.67416e-05,-,2.5004,-,2.5004,https://www.genome.jp/dbget-bin/www_bget?dr:D01528
3156,D05026, Cefroxadine hydrate (JP17), First-generation cephalosporins,J01DB11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)OC)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](C1=CCC=CC1)[NH3+],366.412,-0.4554,95.6876,148.88,27,3,8,RDMOROXKXONCAL-UEKVPHQBSA-O,C16H20N3O5S+,COC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(C1=CCC=CC1)[NH3+],"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/p+1/t10-,11-,15-/m1/s1",-5.7331,-5.3979,-5.3796,-5.3725,-4.917,-4.7516,2.1942,2.3445,2.4209,2.5799,2.7395,D05026_J01DB11,800211a711c00024212544c000c2000c502504900050404030000020009221041808100603820002100e0031018000402903720238000500c0030000000440344c0848000104198205210c8006c0138e00b0056101102300c9c0160a400400111e9400226002280020000000800000014104300c404092200060004992004100,0500000c30e103,1200c10004000000030288002a0000c04101000000000000000000000000000000004440c37a04,80040000085023000048915f172198679d6debfb1d,0,0,41,6,0,6,45,47,-6.779,-2.575,3,1.0,4.67054e-05,-,2.5004,-,2.5004,https://www.genome.jp/dbget-bin/www_bget?dr:D05026
3157,D07656, Ceftezole (INN), First-generation cephalosporins,J01DB12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nncs1)C(=O)O)C(=O)[C@H]2NC(=O)Cn1cnnn1,440.481,-0.6157,101.72399999999999,234.93,24,2,15,DZMVCVMFETWNIU-LDYMZIIASA-N,C13H12N8O4S3,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nncs1)Cn1cnnn1,"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1",-4.9026,-4.755,-3.8965,-3.8884,-3.7995,-3.4349,1.7577,1.8204,1.8842,2.3665,2.3935,D07656_J01DB12,c40a11ab914004a4f52145c000000088540504000040400020000028015204041c00000682030423880e043100800640280374023800c100800a02c0000480154c084800012e19e005212c000ec0010a80310440010029004240040a080400111c840030200322080c80000080001001c007380c204312601875104282004000,0400800c00b103,0000090020000000030088002a000080000100000000d800000000000000000000004640407804,8004000008500a8421dc95ec9f63904f9e6f6a7f1f,0,10,29,4,0,8,40,43,-5.274,1.258,2,1.0,0.00012251,+,5.1472,-,5.1472,https://www.genome.jp/dbget-bin/www_bget?dr:D07656
3158,D01517, Ceftezole sodium (JAN), First-generation cephalosporins,J01DB12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nncs1)C(=O)O)C(=O)[C@H]2NC(=O)Cn1cnnn1,440.481,-0.6157,101.72399999999999,234.93,24,2,15,DZMVCVMFETWNIU-LDYMZIIASA-N,C13H12N8O4S3,O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nncs1)Cn1cnnn1,"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1",-4.9129,-4.7544,-3.8823,-3.8793,-3.8003,-3.4348,1.7063,1.7532,1.9334,2.3554,2.3857,D01517_J01DB12,c40a11ab914004a4f52145c000000088540504000040400020000028015204041c00000682030423880e043100800640280374023800c100800a02c0000480154c084800012e19e005212c000ec0010a80310440010029004240040a080400111c840030200322080c80000080001001c007380c204312601875104282004000,0400800c00b103,0000090020000000030088002a000080000100000000d800000000000000000000004640407804,8004000008500a8421dc95ec9f63904f9e6f6a7f1f,0,10,29,4,0,8,40,43,-5.271,1.258,2,,0.000122486,+,5.1161,-,5.1161,https://www.genome.jp/dbget-bin/www_bget?dr:D01517
3159,D02345, Cefoxitin (USAN/INN), Second-generation cephalosporins,J01DC01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@]2(NC(=O)Cc1sccc1)OC,427.452,1.1277,102.34,201.8,27,3,12,WZOZEZRFJCJXNZ-ZBFHGGJFSA-N,C16H17N3O7S2,COC1(NC(=O)Cc2cccs2)C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",-6.6412,-5.2532,-4.934,-4.7531,-4.2276,-4.2201,2.2345,2.3437,2.41,2.7295,2.7874,D02345_J01DC01,9007d1a7916000b4232146c00012200c552504000042c0003210002400b200863800408701070013900e2879008a00402c0370021840010088020882000442144c405a00013039c207212c8016e1010b81f004c00113314240404e0a800640110c840000a002220420800000804030014016310c604312200060404280004100,0400800c30b103,0200010000000000030088002a000080004100010000c000000000000000000000004640407804,800440000850020080489ddf97f390679c6feaff1f,0,5,37,5,0,9,45,47,-5.081,1.6909999999999998,2,-1.0,0.001530192,-,4.0656,-,4.0656,https://www.genome.jp/dbget-bin/www_bget?dr:D02345
3160,D00913, Cefoxitin sodium (JAN/USP), Second-generation cephalosporins,J01DC01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@]2(NC(=O)Cc1sccc1)OC,427.452,1.1277,102.34,201.8,27,3,12,WZOZEZRFJCJXNZ-ZBFHGGJFSA-N,C16H17N3O7S2,COC1(NC(=O)Cc2cccs2)C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",-6.6402,-5.2533,-4.9102,-4.7365,-4.2266,-4.2255,2.239,2.3859,2.398,2.5429,2.7607,D00913_J01DC01,9007d1a7916000b4232146c00012200c552504000042c0003210002400b200863800408701070013900e2879008a00402c0370021840010088020882000442144c405a00013039c207212c8016e1010b81f004c00113314240404e0a800640110c840000a002220420800000804030014016310c604312200060404280004100,0400800c30b103,0200010000000000030088002a000080004100010000c000000000000000000000004640407804,800440000850020080489ddf97f390679c6feaff1f,0,5,37,5,0,9,45,47,-5.084,1.69,2,,0.001530695,-,4.0113,-,4.0113,https://www.genome.jp/dbget-bin/www_bget?dr:D00913
3161,D00262, Cefuroxime (USAN/INN), Second-generation cephalosporins,J01DC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,424.385,0.4931,100.376,199.06,27,3,13,JFPVXVDWJQMJEE-IZRZKJBUSA-N,C16H16N4O8S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N)c1ccco1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",-6.6472,-5.2519,-4.9105,-4.755,-4.2836,-4.2276,2.2455,2.3424,2.4074,2.72,2.8962,D00262_J01DC02,900791a391600824232146c00812202c5005040a1050404426140024103200841800498701278083008e2239008000412803f0021840050080820422004442145c005800214019c005212c0006c4094b01b804402111334241400e0a88c510130c8420082002244400200028880030014006350c60431aa0006060428000c800,0420800c30b103,0000010000004000030088002a000080004100010000a000000000000000000000004640407804,8004c0000850020140689dff3733d06f946feaff1f,0,5,36,6,0,9,45,47,-5.086,1.14,2,,0.00029063,+,3.9539,-,3.9539,https://www.genome.jp/dbget-bin/www_bget?dr:D00262
3162,D00262, Cefuroxime (USAN/INN), Antibiotics,S01AA27,SENSORY ORGANS,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,424.385,0.4931,100.376,199.06,27,3,13,JFPVXVDWJQMJEE-IZRZKJBUSA-N,C16H16N4O8S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N)c1ccco1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",-6.6435,-5.247999999999999,-4.907,-4.7703,-4.301,-4.2332,2.2427,2.3469,2.4062,2.7258,2.9010000000000002,D00262_S01AA27,900791a391600824232146c00812202c5005040a1050404426140024103200841800498701278083008e2239008000412803f0021840050080820422004442145c005800214019c005212c0006c4094b01b804402111334241400e0a88c510130c8420082002244400200028880030014006350c60431aa0006060428000c800,0420800c30b103,0000010000004000030088002a000080004100010000a000000000000000000000004640407804,8004c0000850020140689dff3733d06f946feaff1f,0,5,36,6,0,9,45,47,-5.086,1.14,2,,0.00029063,+,3.9539,-,3.9539,https://www.genome.jp/dbget-bin/www_bget?dr:D00262
3163,D00914, Cefuroxime axetil (JP17/USP/INN), Second-generation cephalosporins,J01DC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O[C@H](OC(=O)C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,510.474,0.8608,120.402,214.36,36,2,15,KEJCWVGMRLCZQQ-QFDKGRJDSA-N,C20H22N4O10S,CON=C(c1ccco1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OC(OC(=O)C)C)COC(=O)N,"InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10-,14+,18+/m0/s1",-6.6432,-5.2488,-4.7465,-4.4277,-4.2549,-4.2224,2.2430000000000003,2.2637,2.3433,2.3562,2.8937,D00914_J01DC02,900791a391600824232146c00a12202c5105042e1050c04426140024103600841800498701278093008e2339008000412803f0021840056080820422404442145c007800295019c005212c0006c4094b01b804402111334261400e0a88c530130ca42048201224460020802888013001400eb58c60431aa0006060428000c800,0420800030b105,0100010000004000030090002a000000004100010000a000000000000000000000004640407805,8004c0000850020140689dff3733d06f947bfaff1f,0,5,47,7,0,13,57,59,-9.384,-0.8640000000000001,3,0.0,0.123006813,+,5.5072,-,5.5072,https://www.genome.jp/dbget-bin/www_bget?dr:D00914
3164,D00914, Cefuroxime axetil (JP17/USP/INN), Antibiotics,S01AA27,SENSORY ORGANS,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O[C@H](OC(=O)C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,510.474,0.8608,120.402,214.36,36,2,15,KEJCWVGMRLCZQQ-QFDKGRJDSA-N,C20H22N4O10S,CON=C(c1ccco1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OC(OC(=O)C)C)COC(=O)N,"InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10-,14+,18+/m0/s1",-6.693,-5.2429,-4.7472,-4.4333,-4.3012,-4.2304,2.2697,2.278,2.3514,2.3955,2.889,D00914_S01AA27,900791a391600824232146c00a12202c5105042e1050c04426140024103600841800498701278093008e2339008000412803f0021840056080820422404442145c007800295019c005212c0006c4094b01b804402111334261400e0a88c530130ca42048201224460020802888013001400eb58c60431aa0006060428000c800,0420800030b105,0100010000004000030090002a000000004100010000a000000000000000000000004640407805,8004c0000850020140689dff3733d06f947bfaff1f,0,5,47,7,0,13,57,59,-9.384,-0.8640000000000001,3,0.0,0.123006813,+,5.5072,-,5.5072,https://www.genome.jp/dbget-bin/www_bget?dr:D00914
3165,D00915, Cefuroxime sodium (JAN/USP), Second-generation cephalosporins,J01DC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,424.385,0.4931,100.376,199.06,27,3,13,JFPVXVDWJQMJEE-IZRZKJBUSA-N,C16H16N4O8S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N)c1ccco1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",-6.6502,-5.2518,-4.9044,-4.7637,-4.3049,-4.228,2.2467,2.3467,2.3961,2.7408,2.9001,D00915_J01DC02,900791a391600824232146c00812202c5005040a1050404426140024103200841800498701278083008e2239008000412803f0021840050080820422004442145c005800214019c005212c0006c4094b01b804402111334241400e0a88c510130c8420082002244400200028880030014006350c60431aa0006060428000c800,0420800c30b103,0000010000004000030088002a000080004100010000a000000000000000000000004640407804,8004c0000850020140689dff3733d06f946feaff1f,0,5,36,6,0,9,45,47,-5.083,1.141,2,,0.000291076,+,3.9206,-,3.9206,https://www.genome.jp/dbget-bin/www_bget?dr:D00915
3166,D00915, Cefuroxime sodium (JAN/USP), Antibiotics,S01AA27,SENSORY ORGANS,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,424.385,0.4931,100.376,199.06,27,3,13,JFPVXVDWJQMJEE-IZRZKJBUSA-N,C16H16N4O8S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N)c1ccco1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",-6.6505,-5.2518,-4.9119,-4.7368,-4.2695,-4.2257,2.249,2.3549,2.4021,2.5281,2.897,D00915_S01AA27,900791a391600824232146c00812202c5005040a1050404426140024103200841800498701278083008e2239008000412803f0021840050080820422004442145c005800214019c005212c0006c4094b01b804402111334241400e0a88c510130c8420082002244400200028880030014006350c60431aa0006060428000c800,0420800c30b103,0000010000004000030088002a000080004100010000a000000000000000000000004640407804,8004c0000850020140689dff3733d06f946feaff1f,0,5,36,6,0,9,45,47,-5.083,1.141,2,,0.000291076,+,3.9206,-,3.9206,https://www.genome.jp/dbget-bin/www_bget?dr:D00915
3167,D03431, Cefuroxime pivoxetil (USAN), Second-generation cephalosporins,J01DC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O[C@@H](OC(=O)C(C)(OC)C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,568.554,1.2659,135.946,223.59,43,2,16,MGYPWVCKENORQX-CODNTFCVSA-N,C23H28N4O11S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OC(OC(=O)C(OC)(C)C)C)COC(=O)N)c1ccco1,"InChI=1S/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14-/t11-,15+,19+/m0/s1",-6.6629,-5.2204,-4.7748,-4.4143,-4.2515,-4.2255,2.1825,2.256,2.3511,2.367,2.9054,D03431_J01DC02,900791a391600824232146c00a12202c7105042e1050c04426140024103600841800498f01278097008e2339208010412803f00218c00560808204a2404442145c007800295019c005212c0006c4094b01f804402111334261400e0a88e530134ca42048203a24460020802888013001400eb58c60431aa0006060428000c800,0420800030b105,0180010000004000030090002a000000004100010000a000000000000000000000004640407804,8004c00008500201c26a9dff37b3d06f947bfaff1f,0,5,57,7,0,15,67,69,-9.368,-0.815,3,0.0,0.218596593,+,6.2008,-,6.2008,https://www.genome.jp/dbget-bin/www_bget?dr:D03431
3168,D03431, Cefuroxime pivoxetil (USAN), Antibiotics,S01AA27,SENSORY ORGANS,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O[C@@H](OC(=O)C(C)(OC)C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1occc1,568.554,1.2659,135.946,223.59,43,2,16,MGYPWVCKENORQX-CODNTFCVSA-N,C23H28N4O11S,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OC(OC(=O)C(OC)(C)C)C)COC(=O)N)c1ccco1,"InChI=1S/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14-/t11-,15+,19+/m0/s1",-6.6128,-5.3151,-4.7526,-4.4174,-4.3221,-4.2434,2.2008,2.2326,2.3715,2.3941,2.9108,D03431_S01AA27,900791a391600824232146c00a12202c7105042e1050c04426140024103600841800498f01278097008e2339208010412803f00218c00560808204a2404442145c007800295019c005212c0006c4094b01f804402111334261400e0a88e530134ca42048203a24460020802888013001400eb58c60431aa0006060428000c800,0420800030b105,0180010000004000030090002a000000004100010000a000000000000000000000004640407804,8004c00008500201c26a9dff37b3d06f947bfaff1f,0,5,57,7,0,15,67,69,-9.368,-0.815,3,0.0,0.218596593,+,6.2008,-,6.2008,https://www.genome.jp/dbget-bin/www_bget?dr:D03431
3169,D02344, Cefamandole (USAN/INN), Second-generation cephalosporins,J01DC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)O,462.50300000000004,0.1032,114.385,201.14,29,3,13,OLVCFLKTBJRLHI-AXAPSJFSSA-N,C18H18N6O5S2,OC(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",-4.9189,-4.73,-3.8859,-3.8674,-3.7995,-3.4291,2.0972,2.1691,2.3514,2.3994,2.5316,D02344_J01DC03,c40611ab916000e4e32146c00000200c5005040000404000200000a0001200261800408701130443200e2039008006402803740219000100800a0002000480154c084800010019c007210c0006c0010b00f004400100210840480e0a880500110c840010200320000cc0000080000001c007310c204312601860104282004000,0400802c00b103,0028090020000000030088002a0000800001000000009800000000000000000000004640407804,8004000008502a84a1dc95fc172b904f96efebff1f,0,11,37,4,0,8,49,52,-5.216,1.835,3,,0.000509794,+,3.8723,-,3.8723,https://www.genome.jp/dbget-bin/www_bget?dr:D02344
3170,D00909, Cefamandole nafate (USP), Second-generation cephalosporins,J01DC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)OC=O,490.51300000000003,0.9198,119.704,207.21,30,2,14,RRJHESVQVSRQEX-SUYBPPKGSA-N,C19H18N6O6S2,O=COC(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1,"InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1",-4.9393,-4.7515,-4.4414,-3.8926,-3.8701,-3.7943,1.9539,1.9611,2.3481,2.4053,2.5622,D00909_J01DC03,c40611ab916000e4e32146c00002200c5105040000404000202000a0001200261800408701130453200e2039008006402803740219000100800a0082000486154c084802011019c007210d0006c0010b00f004400100210840480e0a880500110c840010200320000cc0000080000001c007310c204312601860104282004000,0400800c30b103,0000090020000000030098002a0000800001000000009800000000000000000000004640407804,8004000008500a84a1dc95fc172b906f96efebff1f,0,11,38,5,0,10,51,54,-5.245,1.791,3,2.0,0.000685505,+,3.9379,-,3.9379,https://www.genome.jp/dbget-bin/www_bget?dr:D00909
3171,D02191, Cefamandole sodium (JAN), Second-generation cephalosporins,J01DC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)O,462.50300000000004,0.1032,114.385,201.14,29,3,13,OLVCFLKTBJRLHI-AXAPSJFSSA-N,C18H18N6O5S2,OC(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",-4.9088,-4.7422,-3.8869,-3.8832,-3.7869,-3.438,2.0143,2.0672,2.3552,2.4019999999999997,2.5289,D02191_J01DC03,c40611ab916000e4e32146c00000200c5005040000404000200000a0001200261800408701130443200e2039008006402803740219000100800a0002000480154c084800010019c007210c0006c0010b00f004400100210840480e0a880500110c840010200320000cc0000080000001c007310c204312601860104282004000,0400802c00b103,0028090020000000030088002a0000800001000000009800000000000000000000004640407804,8004000008502a84a1dc95fc172b904f96efebff1f,0,11,37,4,0,8,49,52,-5.2170000000000005,1.835,3,,0.000508905,+,3.8515,-,3.8515,https://www.genome.jp/dbget-bin/www_bget?dr:D02191
3172,D00256, Cefaclor (JP17), Second-generation cephalosporins,J01DC04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cl)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)[NH3+],368.815,0.2333,93.2986,139.65,21,3,7,QYIYFLOTGYLRGG-GPCCPHFNSA-O,C15H15ClN3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/p+1/t9-,10-,14-/m1/s1",-5.7726,-5.3962,-5.3784,-5.3657,-4.9004,-4.7449,2.193,2.3387,2.3965,2.5311,2.6241,D00256_J01DC04,800613a311600424232156c03000000c5005040000404000600000a8001200041820408703020002808f203d00a00040280370021800010080020002000400144c004800010019c005210c0006c8010b00b004400300210842480e0a800400110c940010a083200000000000800000014006310c004112200060004080004008,0500000c00f103,0000c100040000000b0088002a0000c04105000000000000000000000000000000004640c07a04,80040000085021000048d14c57259047b46d6b7b1f,0,6,31,4,0,5,39,41,-6.896,-2.6060000000000003,3,,0.000476342,-,2.4052,-,2.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D00256
3173,D02352, Cefaclor (USP), Second-generation cephalosporins,J01DC04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cl)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)[NH3+],368.815,0.2333,93.2986,139.65,21,3,7,QYIYFLOTGYLRGG-GPCCPHFNSA-O,C15H15ClN3O4S+,[NH3+]C(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/p+1/t9-,10-,14-/m1/s1",-5.7781,-5.3869,-5.3824,-5.3699,-4.9033,-4.7436,2.1926,2.3408,2.4022,2.521,2.5457,D02352_J01DC04,800613a311600424232156c03000000c5005040000404000600000a8001200041820408703020002808f203d00a00040280370021800010080020002000400144c004800010019c005210c0006c8010b00b004400300210842480e0a800400110c940010a083200000000000800000014006310c004112200060004080004008,0500000c00f103,0000c100040000000b0088002a0000c04105000000000000000000000000000000004640c07a04,80040000085021000048d14c57259047b46d6b7b1f,0,6,31,4,0,5,39,41,-6.893,-2.6060000000000003,3,,0.00047656,-,2.4052,-,2.4052,https://www.genome.jp/dbget-bin/www_bget?dr:D02352
3174,D00260, Cefotetan (JP17/USP/INN), Second-generation cephalosporins,J01DC05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)[C@@H]1S/C(=C(\C(=O)N)/C(=O)O)/S1)OC,575.619,-0.3684,131.168,321.13,33,4,19,SRZNHPXWXCNNDU-GHIUCKNYSA-N,C17H17N7O8S4,COC1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13-,15-,17+/m1/s1",-5.1947,-4.9302,-4.8985,-4.7644,-4.7548,-4.2111,2.5243,2.7110000000000003,2.7311,2.7434,2.7767,D00260_J01DC05,c40211af914002a4e12144c000122009512504000040c00032000020009200263840001600170453100e0039008206402803f40e59208100810b04800024c015cc085a00011079f007210c9006c1417a00f00440011021404040040a0c0700110c840010200322882c88400080000101c005300c204212e01864104282004000,0400800c30b103,0000090020000040030088002e0000804801000000009800000000000000000000004640407804,8004100008501a84a1dc9dfd17ab906f96effaff1f,0,5,44,7,0,10,53,56,-3.685,2.887,2,1.0,8.71763e-08,+,9.5574,-,9.5574,https://www.genome.jp/dbget-bin/www_bget?dr:D00260
3175,D02228, Cefotetan disodium (USP), Second-generation cephalosporins,J01DC05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)[C@@H]1S/C(=C(/C(=O)N)\C(=O)O)/S1)OC,575.619,-0.3684,131.168,321.13,33,4,19,SRZNHPXWXCNNDU-AWENMMLUSA-N,C17H17N7O8S4,COC1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13-,15+,17-/m0/s1",-5.1818,-4.9482,-4.9235,-4.7584,-4.7342,-4.2098,2.4338,2.5654,2.7016,2.7418,2.8019,D02228_J01DC05,c40211af914002a4e12144c000122009512504000040c00032000020009200263840001600170453100e0039008206402803f40e59208100810b04800024c015cc085a00011079f007210c9006c1417a00f00440011021404040040a0c0700110c840010200322882c88400080000101c005300c204212e01864104282004000,0400800c30b103,0000090020000040030088002e0000804801000000009800000000000000000000004640407804,8004100008501a84a1dc9dfd17ab906f96effaff1f,0,5,44,7,0,10,53,56,-3.6830000000000003,2.885,2,-1.0,8.711269999999999e-08,+,9.4921,-,9.4921,https://www.genome.jp/dbget-bin/www_bget?dr:D02228
3176,D07644, Cefonicid (INN), Second-generation cephalosporins,J01DC06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CS(=O)(=O)O)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)O,542.566,0.4923,124.921,263.89,31,4,16,DYAIAHUQIPBDIP-AXAPSJFSSA-N,C18H18N6O8S3,O=C(C(c1ccccc1)O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",-8.9312,-8.9247,-8.4039,-4.9128,-4.7312,-3.8822,2.5638,2.588,2.6059,2.6129,4.0267,D07644_J01DC06,ec0611ab916000e4e32146c00000e00c5005040080404802200000a0001300261860408701130443200e2039088006402803740219000100800a0402000480154c084800010099c027a10c0006c0010b88f004400120210840480e0a980500110c860010202320020cc0000080000007c807710c20c313601860104a82014004,0400802c00b103,0028090020000000030088002a0000800001000000009800000022000000000000004640407804,80040008c8d06e9eb5dd95ecbfe390cf9eefeb7f1f,0,11,39,6,0,10,53,56,-3.534,2.927,3,0.0,4.07091e-09,+,4.8236,-,4.8236,https://www.genome.jp/dbget-bin/www_bget?dr:D07644
3177,D00912, Cefonicid sodium (USP), Second-generation cephalosporins,J01DC06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CS(=O)(=O)O)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)O,542.566,0.4923,124.921,263.89,31,4,16,DYAIAHUQIPBDIP-AXAPSJFSSA-N,C18H18N6O8S3,O=C(C(c1ccccc1)O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",-8.9304,-8.9232,-8.3855,-4.9128,-4.7286,-3.8922,2.5567,2.5655,2.6205,2.6537,3.9979,D00912_J01DC06,ec0611ab916000e4e32146c00000e00c5005040080404802200000a0001300261860408701130443200e2039088006402803740219000100800a0402000480154c084800010099c027a10c0006c0010b88f004400120210840480e0a980500110c860010202320020cc0000080000007c807710c20c313601860104a82014004,0400802c00b103,0028090020000000030088002a0000800001000000009800000022000000000000004640407804,80040008c8d06e9eb5dd95ecbfe390cf9eefeb7f1f,0,11,39,6,0,10,53,56,-3.5410000000000004,2.923,3,0.0,4.08376e-09,+,4.8,-,4.8,https://www.genome.jp/dbget-bin/www_bget?dr:D00912
3178,D03426, Cefonicid monosodium (USAN), Second-generation cephalosporins,J01DC06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CS(=O)(=O)O)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)O,542.566,0.4923,124.921,263.89,31,4,16,DYAIAHUQIPBDIP-AXAPSJFSSA-N,C18H18N6O8S3,O=C(C(c1ccccc1)O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",-8.9311,-8.9309,-8.3858,-4.9055,-4.7569,-3.98,2.5889,2.5974,2.6329,2.7111,4.0293,D03426_J01DC06,ec0611ab916000e4e32146c00000e00c5005040080404802200000a0001300261860408701130443200e2039088006402803740219000100800a0402000480154c084800010099c027a10c0006c0010b88f004400120210840480e0a980500110c860010202320020cc0000080000007c807710c20c313601860104a82014004,0400802c00b103,0028090020000000030088002a0000800001000000009800000022000000000000004640407804,80040008c8d06e9eb5dd95ecbfe390cf9eefeb7f1f,0,11,39,6,0,10,53,56,-3.543,2.9210000000000003,3,0.0,4.0794899999999995e-09,+,4.8143,-,4.8143,https://www.genome.jp/dbget-bin/www_bget?dr:D03426
3179,D07648, Cefotiam (INN), Second-generation cephalosporins,J01DC07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CC[NH+](C)C)C(=O)O)C(=O)[C@H]2NC(=O)Cc1csc(n1)N,526.636,-1.1603,131.875,252.5,36,4,15,QYQDKDWGWDOFFU-IUODEOHRSA-O,C18H24N9O4S3+,C[NH+](CCn1nnnc1SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1csc(n1)N)C,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/p+1/t12-,15-/m1/s1",-6.0120000000000005,-5.0304,-5.0283,-4.9213,-4.7458,-4.6089,1.9136,2.0498,2.3279,2.414,2.7298,D07648_J01DC07,c40a11ab917000a4f12146c40c00200c54050400004060002004002c0052042618000146811b046b800ea03d008006402a5374021900c100800a000a000480154c086c00012e1bc105210c000ec0010a00300450018a210040624e0a880400110c842210200330080c80000080021009c007300e204a12601860104282004304,0500800c00f123,0200490a24000000030088002a000080000120000000d800000000000000000000004640c07a04,8004000008500b8421debffc9f63bccfdeef7eff1f,0,10,47,4,0,11,58,61,-6.822,-2.781,2,1.0,0.007629971,+,6.5372,-,6.5372,https://www.genome.jp/dbget-bin/www_bget?dr:D07648
3180,D01415, Cefotiam hexetil hydrochloride (JP17), Second-generation cephalosporins,J01DC07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CC[NH+](C)C)C(=O)O[C@@H](C)OC(=O)OC1CCCCC1)C(=O)[C@H]2NC(=O)Cc1csc(n1)N,696.842,1.1302,175.296,277.03,54,3,18,VVFDMWZLBPUKTD-ZFUCPZCZSA-O,C27H38N9O7S3+,CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)Cc1csc(n1)N)CSc1nnnn1CC[NH+](C)C)OC(=O)OC1CCCCC1,"InChI=1S/C27H37N9O7S3/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37)/p+1/t15-,20-,23-/m1/s1",-6.0271,-5.8508,-5.0286,-5.0262,-4.7261,-4.6032,1.8268,2.1132,2.3653,2.3756,2.978,D01415_J01DC07,d40a11ab917020a4f32146c40e02200c550504240040e0002004002c0056042618001146811b047b900ea53d008006402b53740219a0c162800a000a400482154c086c00093e1bc105218c000ec0010a00b00550018a2140e0624e0a880420110ca42258201b300a0c80800080031809c00fb18e204b12601860104382004304,0500800030f125,0300490a24000000030090002a000000004920000000d800000000000000000000004640c07a04,8044000008500b8421debffd9f63bcefdffbffff1f,0,10,73,5,0,17,84,88,-9.544,-4.404,3,,0.003204467,+,9.0016,-,9.0016,https://www.genome.jp/dbget-bin/www_bget?dr:D01415
3181,D01819, Cefotiam hydrochloride (JP17/USP), Second-generation cephalosporins,J01DC07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CC[NH+](C)C)C(=O)O)C(=O)[C@H]2NC(=O)Cc1csc(n1)N,526.636,-1.1603,131.875,252.5,36,4,15,QYQDKDWGWDOFFU-IUODEOHRSA-O,C18H24N9O4S3+,C[NH+](CCn1nnnc1SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1csc(n1)N)C,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/p+1/t12-,15-/m1/s1",-6.0318,-5.0204,-5.02,-4.9139,-4.7291,-4.6146,1.8973,2.1277,2.3578,2.4115,2.532,D01819_J01DC07,c40a11ab917000a4f12146c40c00200c54050400004060002004002c0052042618000146811b046b800ea03d008006402a5374021900c100800a000a000480154c086c00012e1bc105210c000ec0010a00300450018a210040624e0a880400110c842210200330080c80000080021009c007300e204a12601860104282004304,0500800c00f123,0200490a24000000030088002a000080000120000000d800000000000000000000004640c07a04,8004000008500b8421debffc9f63bccfdeef7eff1f,0,10,47,4,0,11,58,61,-6.824,-2.782,2,0.0,0.003182042,+,6.5372,-,6.5372,https://www.genome.jp/dbget-bin/www_bget?dr:D01819
3182,D08143, Loracarbef (INN), Second-generation cephalosporins,J01DC08,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@H]([C@@H](C1=O)NC(=O)[C@@H](c1ccccc1)[NH3+])CCC(=C2C(=O)O)Cl,350.777,0.3228,90.5146,114.35,22,3,6,JAPHQRWPEGVNBT-TUAOUCFPSA-O,C16H17ClN3O4+,[NH3+]C(c1ccccc1)C(=O)NC1C2CCC(=C(N2C1=O)C(=O)O)Cl,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/p+1/t10-,11+,12-/m0/s1",-5.7777,-5.3994,-5.3855,-5.3451,-4.8965,-4.7403,2.2114,2.3456,2.397,2.5296,2.6575,D08143_J01DC08,003e824000600424030046003000100c0005049000405000000400a8001000041800508303800002908f243900a000002102000010200110020000030040011048000800010418c0012000000a88020f00b0014040002008c2081800800400110c140038a0830000000010008000300000060104000110000070000100004300,0500000c00f003,0200c00004000000080088002a0000c04105000000000000000000000000000000004640c07a04,80040000001021000048504e57653047b46d6f7a1f,0,6,33,4,0,5,41,43,-6.662999999999999,-2.7489999999999997,3,-1.0,1.9393e-05,+,2.5223,-,2.5223,https://www.genome.jp/dbget-bin/www_bget?dr:D08143
3183,D00916, Loracarbef (USP), Second-generation cephalosporins,J01DC08,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@H]([C@@H](C1=O)NC(=O)[C@@H](c1ccccc1)[NH3+])CCC(=C2C(=O)O)Cl,350.777,0.3228,90.5146,114.35,22,3,6,JAPHQRWPEGVNBT-TUAOUCFPSA-O,C16H17ClN3O4+,[NH3+]C(c1ccccc1)C(=O)NC1C2CCC(=C(N2C1=O)C(=O)O)Cl,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/p+1/t10-,11+,12-/m0/s1",-5.7801,-5.3933,-5.3804,-5.3681,-4.8973,-4.7434,2.2067,2.3484,2.4069,2.5192,2.5757,D00916_J01DC08,003e824000600424030046003000100c0005049000405000000400a8001000041800508303800002908f243900a000002102000010200110020000030040011048000800010418c0012000000a88020f00b0014040002008c2081800800400110c140038a0830000000010008000300000060104000110000070000100004300,0500000c00f003,0200c00004000000080088002a0000c04105000000000000000000000000000000004640c07a04,80040000001021000048504e57653047b46d6f7a1f,0,6,33,4,0,5,41,43,-6.664,-2.7460000000000004,3,0.0,1.94133e-05,+,2.5223,-,2.5223,https://www.genome.jp/dbget-bin/www_bget?dr:D00916
3184,D00910, Cefmetazole (USP/INN), Second-generation cephalosporins,J01DC09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)CSCC#N)OC,471.534,-0.39952,111.62,239.23,30,2,15,SNBUBQHDYVFSQF-HIFRSBDPSA-N,C15H17N7O5S3,N#CCSCC(=O)NC1(OC)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",-4.9088,-4.7568,-3.9286,-3.8906,-3.7963,-3.4435,2.0212,2.1165,2.3601,2.3788,2.6727,D00910_J01DC09,c40211af914000a4e12144c000022008512504000040c00032000028009202263800001600170453120f0039008206402803740219000100800a10800004c0154c085a00011079d007210c8006c1010a00f00440011021004040040a080600110c840010200322802c80000080000101c005300c204212601860104282004400,0400800c30b113,0000090030000000030088002a0000801001000000009800000000000000000000004640407804,8004000008510a84a1dcb5fd97eb906f9eeffaff1f,0,5,39,4,1,10,47,49,-5.265,1.122,2,4.0,0.00030374,-,4.5482,-,4.5482,https://www.genome.jp/dbget-bin/www_bget?dr:D00910
3185,D00911, Cefmetazole sodium (JP17/USP), Second-generation cephalosporins,J01DC09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)CSCC#N)OC,471.534,-0.39952,111.62,239.23,30,2,15,SNBUBQHDYVFSQF-HIFRSBDPSA-N,C15H17N7O5S3,N#CCSCC(=O)NC1(OC)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",-4.9046,-4.7595,-3.943,-3.9160000000000004,-3.7833,-3.4316,2.059,2.1441,2.3829,2.4169,2.7398,D00911_J01DC09,c40211af914000a4e12144c000022008512504000040c00032000028009202263800001600170453120f0039008206402803740219000100800a10800004c0154c085a00011079d007210c8006c1010a00f00440011021004040040a080600110c840010200322802c80000080000101c005300c204212601860104282004400,0400800c30b113,0000090030000000030088002a0000801001000000009800000000000000000000004640407804,8004000008510a84a1dcb5fd97eb906f9eeffaff1f,0,5,39,4,1,10,47,49,-5.2620000000000005,1.122,2,,0.000303115,-,4.5280000000000005,-,4.5280000000000005,https://www.genome.jp/dbget-bin/www_bget?dr:D00911
3186,D07651, Cefprozil (INN), Second-generation cephalosporins,J01DC10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)/C=C/C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],390.434,0.3187,104.473,159.88,27,4,8,WDLWHQDACQUCJR-ZAMMOSSLSA-O,C18H20N3O5S+,CC=CC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(c1ccc(cc1)O)[NH3+],"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/p+1/b3-2+/t12-,13-,17-/m1/s1",-5.7747,-5.4014,-5.3711,-5.3644,-4.8972,-4.7583,2.2049,2.3526,2.4007,2.5741,2.7648,D07651_J01DC10,800611a391600424232946c00000000c5005040000407200200000a0001200041840408703834402008e203900800040280b72029800090080020002000400144c004800010019c005210e2006c8010b00b404400100210840481e0a800400310c940400210220020100000080000001c006310c104312200860044280004000,0500800c02f103,1100c10004000000030088002a0000c00101000000010000000000000000000000004640c37a04,80040000085023000048914c17299147946debfb1f,0,6,38,5,0,6,47,49,-6.8660000000000005,-2.508,3,0.0,0.00018827700000000001,-,2.3926,-,2.3926,https://www.genome.jp/dbget-bin/www_bget?dr:D07651
3187,D00261, Cefprozil (USP), Second-generation cephalosporins,J01DC10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)/C=C/C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)[NH3+],390.434,0.3187,104.473,159.88,27,4,8,WDLWHQDACQUCJR-ZAMMOSSLSA-O,C18H20N3O5S+,CC=CC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(c1ccc(cc1)O)[NH3+],"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/p+1/b3-2+/t12-,13-,17-/m1/s1",-5.7871,-5.3985,-5.385,-5.3624,-4.9158,-4.7575,2.2062,2.3476,2.4092,2.6262,2.7452,D00261_J01DC10,800611a391600424232946c00000000c5005040000407200200000a0001200041840408703834402008e203900800040280b72029800090080020002000400144c004800010019c005210e2006c8010b00b404400100210840481e0a800400310c940400210220020100000080000001c006310c104312200860044280004000,0500800c02f103,1100c10004000000030088002a0000c00101000000010000000000000000000000004640c37a04,80040000085023000048914c17299147946debfb1f,0,6,38,5,0,6,47,49,-6.864,-2.508,3,1.0,0.000187887,-,2.3926,-,2.3926,https://www.genome.jp/dbget-bin/www_bget?dr:D00261
3188,D00259, Ceforanide (USP/INN), Second-generation cephalosporins,J01DC11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1CC(=O)O)C(=O)O)C(=O)[C@H]2NC(=O)Cc1c(cccc1)C[NH3+],520.562,-1.0982,128.733,245.85,33,4,14,SLAYUXIURFNXPG-CRAIPNDOSA-O,C20H22N7O6S2+,[NH3+]Cc1ccccc1CC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O,"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/p+1/t15-,18-/m1/s1",-5.4024,-5.3989,-5.3870000000000005,-5.3441,-4.9147,-4.7294,2.3468,2.3735,2.383,2.3962,2.546,D00259_J01DC11,c40611ab916004a4e32146c10000208c700d040000404000200100a0001204261c00408f01530443008e203d008006402c03740219004100800a00c2004680154c084800010259c005232c0006c8010b00b004400100290840484e0a880400110c940010200320000c800000a0000001c007311c20439260197010428a004000,0500800c00f103,0200c90024000000030088002a0000800001000000009800000000000000000000004640c07a04,8004000008500b8421dc97ec9f6390cf9fef6b7f1f,0,11,44,5,0,11,57,60,-4.379,-1.902,2,,3.5762900000000003e-07,+,4.902,-,4.902,https://www.genome.jp/dbget-bin/www_bget?dr:D00259
3189,D07642, Cefminox (INN), Second-generation cephalosporins,J01DC12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1n(nnn1)C)C(=O)O)C(=O)[C@]2(NC(=O)CSC[C@H](C(=O)O)[NH3+])OC,520.5840000000001,-2.228,122.415,280.38,35,4,16,JSDXOWVAHXDYCU-VXSYNFHWSA-O,C16H22N7O7S3+,COC1(NC(=O)CSCC(C(=O)O)[NH3+])C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/p+1/t8-,14-,16+/m1/s1",-5.3812,-5.3672,-5.3649,-4.9028,-4.7344,-4.6074,2.3875,2.5025,2.5035,2.5144,2.7616,D07642_J01DC12,c40211af914000a4e12144c000122008512504000040c000320000200092003e3800001600170453120e0039008206402803740219000100800a0080000480154c085a00011079d007210c8006c1010a00f00440011021004040040a080600110c840010200322802c80000080000101c005300c204212601860104682004000,0500800c30f103,0000c90034000000030088002a0000900001000000009800000000000000000000004640c07a04,8004000008502b84a1dcb5ff97eb906f9eeffaff1f,0,5,47,5,0,12,55,57,-5.723,0.775,3,1.0,5.82972e-08,+,5.5166,-,5.5166,https://www.genome.jp/dbget-bin/www_bget?dr:D07642
3190,D01909, Cefminox sodium hydrate (JP17), Second-generation cephalosporins,J01DC12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)CSC[C@@H](C(=O)O)[NH3+])OC,520.5840000000001,-2.228,122.415,280.38,35,4,16,JSDXOWVAHXDYCU-YOPRPIMNSA-O,C16H22N7O7S3+,COC1(NC(=O)CSCC(C(=O)O)[NH3+])C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/p+1/t8-,14+,16-/m0/s1",-5.3753,-5.3695,-5.3511,-4.9258,-4.7539,-4.5964,2.3901,2.4147,2.5039,2.7323,2.8168,D01909_J01DC12,c40211af914000a4e12144c000122008512504000040c000320000200092003e3800001600170453120e0039008206402803740219000100800a0080000480154c085a00011079d007210c8006c1010a00f00440011021004040040a080600110c840010200322802c80000080000101c005300c204212601860104682004000,0500800c30f103,0000c90034000000030088002a0000900001000000009800000000000000000000004640c07a04,8004000008502b84a1dcb5ff97eb906f9eeffaff1f,0,5,47,5,0,12,55,57,-5.407,0.81,3,0.0,5.31295e-08,+,5.4889,-,5.4889,https://www.genome.jp/dbget-bin/www_bget?dr:D01909
3191,D03423, Cefbuperazone (USAN/INN), Second-generation cephalosporins,J01DC13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)[C@H](NC(=O)N1C(=O)C(=O)N(CC1)CC)[C@@H](O)C)OC,627.651,-2.2399,154.39,280.09,47,4,20,SMSRCGPDNDCXFR-CYWZMYCQSA-N,C22H29N9O9S2,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1(OC)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)C(O)C,"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1",-5.2903,-4.907,-4.7344,-4.6063,-4.2941,-4.2291,2.4159,2.4979,2.5443,2.6365,2.784,D03423_J01DC13,c40211af914000a4e12144c000022008712504100040c000320000200192012638000006a3130453500f0139008306402903740259008100800a0880100480354c085a00011039c007210c8006f1011e00f0044001102100c040060a080680150ca40030240322002c80010080000001c00d300c204212601870104392004100,0400802c30b143,0128090020000000030088002a0000c00041040000009800000000000000000000004640407804,8004000018503a84a1dcb5ff1febba6f97ffffff1f,0,5,62,7,0,13,71,74,-5.245,1.3780000000000001,4,-2.0,3.8352999999999995e-06,+,8.1352,-,8.1352,https://www.genome.jp/dbget-bin/www_bget?dr:D03423
3192,D01736, Cefbuperazone sodium (JP17), Second-generation cephalosporins,J01DC13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@]2(NC(=O)[C@H](NC(=O)N1C(=O)C(=O)N(CC1)CC)[C@@H](O)C)OC,627.651,-2.2399,154.39,280.09,47,4,20,SMSRCGPDNDCXFR-CYWZMYCQSA-N,C22H29N9O9S2,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1(OC)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)C(O)C,"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1",-5.3004,-4.9182,-4.7328,-4.5974,-4.2944,-4.2249,2.4111,2.5272,2.5703,2.6455,2.7587,D01736_J01DC13,c40211af914000a4e12144c000022008712504100040c000320000200192012638000006a3130453500f0139008306402903740259008100800a0880100480354c085a00011039c007210c8006f1011e00f0044001102100c040060a080680150ca40030240322002c80010080000001c00d300c204212601870104392004100,0400802c30b143,0128090020000000030088002a0000c00041040000009800000000000000000000004640407804,8004000018503a84a1dcb5ff1febba6f97ffffff1f,0,5,62,7,0,13,71,74,-5.24,1.379,4,,3.83404e-06,+,8.0963,-,8.0963,https://www.genome.jp/dbget-bin/www_bget?dr:D01736
3193,D07963, Flomoxef (INN), Second-generation cephalosporins,J01DC14,ANTIINFECTIVES FOR SYSTEMIC USE,[C@]1([C@@H]2N(C1=O)C(=C(CO2)CSc1n(nnn1)CCO)C(=O)O)(NC(=O)CSC(F)F)OC,496.466,-0.9618,106.62899999999999,219.6,31,3,15,UHRBTBZOWWGKMK-DOMZBBRYSA-N,C15H18F2N6O7S2,OCCn1nnnc1SCC1=C(C(=O)O)N2C(OC1)C(C2=O)(OC)NC(=O)CSC(F)F,"InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1",-4.8999,-4.8161,-4.0266,-3.8254,-3.7722,-3.4825,2.2873,2.3523,2.3864,2.3928,2.6805,D07963_J01DC14,d403112b014000a4012044c00012208c710524800048c00002100020013404b63802001e80140057101e003f208b0600240264035108c120080800800000e8154c841a00091279d017232c000689011a21f000400001314200404d0208a680014c0400102001028208802310800005000005118c2001106019605000c2004400,0400801c30b103,0019090030000060030088002a0000800001000000009800000000000000000000004640407804,8004000000520a85a1dc97fd9ff7b0efbeefeeff1f,2,5,43,4,0,12,50,52,-5.225,0.879,2,0.0,0.000148156,+,3.9906,-,3.9906,https://www.genome.jp/dbget-bin/www_bget?dr:D07963
3194,D01473, Flomoxef sodium (JP17), Second-generation cephalosporins,J01DC14,ANTIINFECTIVES FOR SYSTEMIC USE,[C@]1([C@@H]2N(C1=O)C(=C(CO2)CSc1n(nnn1)CCO)C(=O)O)(CC(=O)CSC(F)F)OC,495.478,-0.4672,108.635,207.57,31,2,14,XQQSMCSFNNCCPR-CJNGLKHVSA-N,C16H19F2N5O7S2,OCCn1nnnc1SCC1=C(C(=O)O)N2C(OC1)C(C2=O)(OC)CC(=O)CSC(F)F,"InChI=1S/C16H19F2N5O7S2/c1-29-16(4-9(25)7-31-14(17)18)12(28)23-10(11(26)27)8(5-30-13(16)23)6-32-15-19-20-21-22(15)2-3-24/h13-14,24H,2-7H2,1H3,(H,26,27)/t13-,16+/m1/s1",-4.9223,-4.7235,-3.5844,-3.4819999999999998,-3.3153,-3.31,1.8859,1.8880000000000001,1.9329,1.973,2.4022,D01473_J01DC14,d4039129014000a4012044c002122084710524900048c00402100000013404a63802300c80150057501e041f208a0600050264035108c120080908800000e8154c941a00011269c016032c040681011e21f00b4000013142804041000866c005440400302003020208a0221088000d00000511082001104019505001c2004700,1400801c30b103,029909003000016003008800200000000001000000009800000000000000000000004640407805,8004000000520a85a3dc97fd9ff7b8efaeefaeff1f,2,5,44,4,0,12,51,53,-5.143,0.961,2,-1.0,0.00033422,+,3.7948,-,3.7948,https://www.genome.jp/dbget-bin/www_bget?dr:D01473
3195,D07647, Cefotaxime (INN), Third-generation cephalosporins,J01DD01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,455.465,0.2875,109.897,227.05,29,3,14,GPRBEKHLDVQUJE-QSWIMTSFSA-N,C16H17N5O7S2,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",-5.0323,-5.0185,-4.9369,-4.7494,-4.419,-4.3938,2.0293,2.3563,2.4083,2.7223,3.1046,D07647_J01DD01,900291a391700824212146c40c12200c540d0406004060402414002c0076008418000146012f80ab808ea03120800040284b7002180001208002040a0004421c5c006c0001201b8105210c000ec0010e01b00450019b234241620f0a888410130c8422102003344600000088880030094006310e604b12a05060004682004304,0420800c30b127,0100010800004000030098002a000080000120000000d000000000000000000000004640407805,800480000850020041f89dfd3733d86fd46f7aff1f,0,5,38,6,0,9,47,49,-5.02,1.157,2,0.0,0.00046681800000000003,-,4.8416,-,4.8416,https://www.genome.jp/dbget-bin/www_bget?dr:D07647
3196,D00919, Cefotaxime sodium (JP17/USP), Third-generation cephalosporins,J01DD01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,455.465,0.2875,109.897,227.05,29,3,14,GPRBEKHLDVQUJE-QSWIMTSFSA-N,C16H17N5O7S2,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",-5.0301,-5.0185,-4.9345,-4.7507,-4.4206,-4.3937,1.9669999999999999,2.3569999999999998,2.3893,2.7306,3.1118,D00919_J01DD01,900291a391700824212146c40c12200c540d0406004060402414002c0076008418000146012f80ab808ea03120800040284b7002180001208002040a0004421c5c006c0001201b8105210c000ec0010e01b00450019b234241620f0a888410130c8422102003344600000088880030094006310e604b12a05060004682004304,0420800c30b127,0100010800004000030098002a000080000120000000d000000000000000000000004640407805,800480000850020041f89dfd3733d86fd46f7aff1f,0,5,38,6,0,9,47,49,-5.018,1.1540000000000001,2,,0.000466925,-,4.8093,-,4.8093,https://www.genome.jp/dbget-bin/www_bget?dr:D00919
3197,D07654, Ceftazidime (INN), Third-generation cephalosporins,J01DD02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1ccccc1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC(C)(C(=O)O)C)/c1csc(n1)N,547.5840000000001,1.7406,138.409,242.98,34,4,14,VHRYUEIFJFYCSZ-DWVKKRMSSA-N,C22H23N6O7S2,O=C1C(NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)N)C2N1C(=C(CS2)Cn1ccccc1)C(=O)O,"InChI=1S/C22H23N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H2,23,24)(H,25,29)(H,31,32)(H,33,34)/b26-13-/t14-,18-/m1/s1",-5.0341,-5.0119,-4.9221,-4.7674,-4.5583,-4.4164,2.3711,2.4044,2.4845,2.6961,3.1129,D07654_J01DD02,802231a391700824212546c40c10000c540d061600406840248c002c0052000418011156012b80af808fa03100800040294f7003180001008003040a0104003c5c006d0001201b8105210d000ec8010e00700550859a2300c1620e0a888418130c8422b02803344200000098880000094006300e004a12a050e8804782004304,0420800c00b123,0300410a00004000030088002a000080000120000000d000000000000000000000004640407804,8004800008500200c3febded3fe3f0efd56fffff1f,0,5,57,6,0,10,65,68,-4.962,-1.4,2,1.0,3.77085e-05,-,5.8483,-,5.8483,https://www.genome.jp/dbget-bin/www_bget?dr:D07654
3198,D00921, Ceftazidime (USP), Third-generation cephalosporins,J01DD02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1ccccc1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC(C)(C(=O)O)C)/c1csc(n1)N,547.5840000000001,1.7406,138.409,242.98,34,4,14,VHRYUEIFJFYCSZ-DWVKKRMSSA-N,C22H23N6O7S2,O=C1C(NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)N)C2N1C(=C(CS2)Cn1ccccc1)C(=O)O,"InChI=1S/C22H23N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H2,23,24)(H,25,29)(H,31,32)(H,33,34)/b26-13-/t14-,18-/m1/s1",-5.0261,-5.0227,-4.9275,-4.7478,-4.537,-4.4219,2.3675,2.3794,2.4956,2.7941,3.0864,D00921_J01DD02,802231a391700824212546c40c10000c540d061600406840248c002c0052000418011156012b80af808fa03100800040294f7003180001008003040a0104003c5c006d0001201b8105210d000ec8010e00700550859a2300c1620e0a888418130c8422b02803344200000098880000094006300e004a12a050e8804782004304,0420800c00b123,0300410a00004000030088002a000080000120000000d000000000000000000000004640407804,8004800008500200c3febded3fe3f0efd56fffff1f,0,5,57,6,0,10,65,68,-4.961,-1.401,2,,3.77572e-05,-,5.8483,-,5.8483,https://www.genome.jp/dbget-bin/www_bget?dr:D00921
3199,D07653, Cefsulodin (INN), Third-generation cephalosporins,J01DD03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1ccc(cc1)C(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](S(=O)(=O)O)c1ccccc1,533.554,2.3457,131.155,222.78,31,4,12,MSERVVMWGRJHIA-QLVMHMETSA-N,C22H21N4O8S2,O=C(C(S(=O)(=O)O)c1ccccc1)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1ccc(cc1)C(=O)N,"InChI=1S/C22H21N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H2,23,27)(H,24,28)(H,30,31)(H,32,33,34)/t15-,17-,21-/m1/s1",-8.9113,-8.9101,-8.4137,-4.9297,-4.8081,-4.7439,2.6222,2.7601,2.9342,3.4128,4.2132,D07653_J01DD03,a02691a39160002423a546c00000000c5005061000404800208800a8001200041801588701030002000f203900800040290370031800010090030102080400744c004800010019c007210d0006d0110f40b0075081202108c4480e0a800422110c8640202402308200010000800004014006710c0063122020e0004780004200,0400800c00b103,0600410200000000030088002e0000800001000000000000000022000000000000004640407804,80040000c8d0561a14cdb94f3fe3b0cf976f6f7f1f,0,6,52,7,0,9,62,65,-6.0889999999999995,-2.189,3,0.0,7.43604e-08,+,4.0247,-,4.0247,https://www.genome.jp/dbget-bin/www_bget?dr:D07653
3200,D02005, Cefsulodin sodium (JP17/USAN), Third-generation cephalosporins,J01DD03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1ccc(cc1)C(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](S(=O)(=O)O)c1ccccc1,533.554,2.3457,131.155,222.78,31,4,12,MSERVVMWGRJHIA-QLVMHMETSA-N,C22H21N4O8S2,O=C(C(S(=O)(=O)O)c1ccccc1)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1ccc(cc1)C(=O)N,"InChI=1S/C22H21N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H2,23,27)(H,24,28)(H,30,31)(H,32,33,34)/t15-,17-,21-/m1/s1",-8.9342,-8.9015,-8.3655,-4.8328,-4.8042,-4.7947,2.6118,2.7001,2.926,3.3957,4.1779,D02005_J01DD03,a02691a39160002423a546c00000000c5005061000404800208800a8001200041801588701030002000f203900800040290370031800010090030102080400744c004800010019c007210d0006d0110f40b0075081202108c4480e0a800422110c8640202402308200010000800004014006710c0063122020e0004780004200,0400800c00b103,0600410200000000030088002e0000800001000000000000000022000000000000004640407804,80040000c8d0561a14cdb94f3fe3b0cf976f6f7f1f,0,6,52,7,0,9,62,65,-6.0889999999999995,-2.186,3,,7.41e-08,+,4.0149,-,4.0149,https://www.genome.jp/dbget-bin/www_bget?dr:D02005
3201,D07659, Ceftriaxone (INN), Third-generation cephalosporins,J01DD04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1[nH]c(=O)c(=O)[nH]n1C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,555.5880000000001,-0.4871,135.14,296.7,32,5,16,YKSZAQVUSOQQKJ-SPQHTLEESA-N,C18H19N8O7S3,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1[nH]c(=O)c(=O)[nH]n1C,"InChI=1S/C18H19N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",-5.8741,-5.0312,-5.0234,-4.9091,-4.8282,-4.7383,2.5561,2.6441,2.9241,3.0985,3.1455,D07659_J01DD04,800311a391f00824e321cec40c10000c540d0406004060c02406002c0052600418000146012b84ea808ea331148100402b5b7002180011048206040a0004001c5c086c0011621ba105214c000ee0010e00300450119a330041660e8a888410170ea42310240335400400008888008009c00e700e004a12a0506000468e004304,0420800c00b123,0000010800004000030088002a0000c0000120000000d000000000000000000000004640407804,8004800008502a80d1fc9dff372bd06fd66f7bff1f,0,5,47,7,0,9,56,59,-7.975,-3.627,2,0.0,0.015456541,-,8.263,-,8.263,https://www.genome.jp/dbget-bin/www_bget?dr:D07659
3202,D00924, Ceftriaxone sodium (USP), Third-generation cephalosporins,J01DD04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1[nH]c(=O)c(=O)[nH]n1C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,555.5880000000001,-0.4871,135.14,296.7,32,5,16,YKSZAQVUSOQQKJ-SPQHTLEESA-N,C18H19N8O7S3,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1[nH]c(=O)c(=O)[nH]n1C,"InChI=1S/C18H19N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15,22H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",-5.865,-5.0318,-5.0294,-4.9088,-4.8219,-4.732,2.5363,2.6385,2.9366,3.0872,3.1518,D00924_J01DD04,800311a391f00824e321cec40c10000c540d0406004060c02406002c0052600418000146012b84ea808ea331148100402b5b7002180011048206040a0004001c5c086c0011621ba105214c000ee0010e00300450119a330041660e8a888410170ea42310240335400400008888008009c00e700e004a12a0506000468e004304,0420800c00b123,0000010800004000030088002a0000c0000120000000d000000000000000000000004640407804,8004800008502a80d1fc9dff372bd06fd66f7bff1f,0,5,47,7,0,9,56,59,-7.93,-3.615,2,,0.010914644,-,8.1815,-,8.1815,https://www.genome.jp/dbget-bin/www_bget?dr:D00924
3203,D07641, Cefmenoxime (INN), Third-generation cephalosporins,J01DD05,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2nc(sc2)N)SCC(=C1C(=O)O)CSc1n(nnn1)C,511.55800000000005,0.0402,122.87700000000001,269.65,31,3,17,HJJDBAOLQAWBMH-YCRCPZNHSA-N,C16H17N9O5S3,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1csc(n1)N,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",-5.0282,-5.0248,-4.9458,-4.7506,-4.3842,-4.3004,2.075,2.3556,2.43,2.7343,3.0865,D07641_J01DD05,c40211ab917008a4e12146c40c10200c540d0406004060402404002c0052002618000146013b84eb808ea03900800640284b740219000100800a040a0004801d5c086c0001201bc105210c000ec0010e00300450019a230041620e0a888410130c842210200334400c80008888000009c007300e204a12e05860104682004304,0420800c00b123,0000090820004000030088002a000080000120000000d800000000000000000000004640407804,8004800008500a8461fc9dfd372bd06fd6ef7aff1f,0,10,38,5,0,9,50,53,-5.511,0.953,2,1.0,0.00088573,+,7.1774,-,7.1774,https://www.genome.jp/dbget-bin/www_bget?dr:D07641
3204,D01739, Cefmenoxime hydrochloride (JP17/USP), Third-generation cephalosporins,J01DD05,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SCC(=C1C(=O)O)CSc1n(nnn1)C,511.55800000000005,0.0402,122.87700000000001,269.65,31,3,17,HJJDBAOLQAWBMH-YCRCPZNHSA-N,C16H17N9O5S3,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)c1csc(n1)N,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",-5.0187,-5.0121,-4.9257,-4.7535,-4.3674,-4.2797,2.0257,2.3424,2.3998,2.7115,3.0987,D01739_J01DD05,c40211ab917008a4e12146c40c10200c540d0406004060402404002c0052002618000146013b84eb808ea03900800640284b740219000100800a040a0004801d5c086c0001201bc105210c000ec0010e00300450019a230041620e0a888410130c842210200334400c80008888000009c007300e204a12e05860104682004304,0420800c00b123,0000090820004000030088002a000080000120000000d800000000000000000000004640407804,8004800008500a8461fc9dfd372bd06fd6ef7aff1f,0,10,38,5,0,9,50,53,-5.539,1.114,2,,0.000958049,+,7.1774,-,7.1774,https://www.genome.jp/dbget-bin/www_bget?dr:D01739
3205,D08109, Latamoxef (INN), Third-generation cephalosporins,J01DD06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]1(C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C)(NC(=O)[C@H](C(=O)O)c1ccc(cc1)O)OC,520.4730000000001,-0.7989,121.249,231.6,33,4,16,JWCSIUVGFCSJCK-LIUKBUMOSA-N,C20H20N6O9S,COC1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2C1OCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1",-4.9465,-4.7481,-4.5525,-4.4205,-3.8871,-3.8833,2.3299,2.3782,2.3946,2.41,2.697,D08109_J01DD06,d4071129016000a4032046c00012200c310524000048d200021000a0017400b63802408b81140057101f203b208b06002002660351088120080808820000e01d4c801a0009103dc017212c000281011b21f000400001314a404809008827c0014c0400102001020208802300c00004000007118c2001106018605000c2004400,0400800c32b103,0400080020000000030088002a0000800001000000019800000000000000000000004640407804,8004000000501a85a1dc95fd17bb916f96effbff1f,0,11,43,5,0,10,56,59,-3.359,3.252,3,0.0,2.6577399999999996e-09,+,4.9849,-,4.9849,https://www.genome.jp/dbget-bin/www_bget?dr:D08109
3206,D02198, Moxalactam disodium (USAN), Third-generation cephalosporins,J01DD06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]1(C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C)(NC(=O)[C@H](C(=O)O)c1ccc(cc1)O)OC,520.4730000000001,-0.7989,121.249,231.6,33,4,16,JWCSIUVGFCSJCK-LIUKBUMOSA-N,C20H20N6O9S,COC1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2C1OCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1",-4.9056,-4.7405,-4.5457,-4.4225,-3.9065,-3.8819,2.3616,2.3801,2.388,2.4062,2.5466,D02198_J01DD06,d4071129016000a4032046c00012200c310524000048d200021000a0017400b63802408b81140057101f203b208b06002002660351088120080808820000e01d4c801a0009103dc017212c000281011b21f000400001314a404809008827c0014c0400102001020208802300c00004000007118c2001106018605000c2004400,0400800c32b103,0400080020000000030088002a0000800001000000019800000000000000000000004640407804,8004000000501a85a1dc95fd17bb916f96effbff1f,0,11,43,5,0,10,56,59,-3.3560000000000003,3.252,3,1.0,2.65797e-09,+,4.9202,-,4.9202,https://www.genome.jp/dbget-bin/www_bget?dr:D02198
3207,D07658, Ceftizoxime (INN), Third-generation cephalosporins,J01DD07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=CCS1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,383.403,0.3542,94.1909,200.75,23,3,12,NNULBSISHYWZJU-LLKWHZGFSA-N,C13H13N5O5S2,CON=C(c1csc(n1)N)C(=O)NC1C2SCC=C(N2C1=O)C(=O)O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",-5.0289,-5.0225,-4.9114,-4.7287,-4.3916,-4.2883,2.0519,2.3516,2.3818,2.5439,3.0978,D07658_J01DD07,800211a311700824212146c40c10000c540d0406004060402404002c0052000418000146012a80aa808ea03100800040284b7002180001008002040a0004001c5c006c0001201b8105210c000ec0010e00300450019a230041620e0a888410130c8422102003344000000088880000094006300e004812a05060004482004304,0420000c00b123,0000010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000850000041f89dfd3723d06fd46d6afb1f,0,5,30,5,0,6,38,40,-4.8180000000000005,1.1840000000000002,2,1.0,3.63674e-05,-,3.8088,-,3.8088,https://www.genome.jp/dbget-bin/www_bget?dr:D07658
3208,D00923, Ceftizoxime sodium (JP17/USP), Third-generation cephalosporins,J01DD07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=CCS1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,383.403,0.3542,94.1909,200.75,23,3,12,NNULBSISHYWZJU-LLKWHZGFSA-N,C13H13N5O5S2,CON=C(c1csc(n1)N)C(=O)NC1C2SCC=C(N2C1=O)C(=O)O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",-5.0309,-5.0256,-4.9097,-4.7282,-4.3854,-4.3055,2.0486,2.3458,2.3826,2.5432,3.0860000000000003,D00923_J01DD07,800211a311700824212146c40c10000c540d0406004060402404002c0052000418000146012a80aa808ea03100800040284b7002180001008002040a0004001c5c006c0001201b8105210c000ec0010e00300450019a230041620e0a888410130c8422102003344000000088880000094006300e004812a05060004482004304,0420000c00b123,0000010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000850000041f89dfd3723d06fd46d6afb1f,0,5,30,5,0,6,38,40,-4.815,1.1840000000000002,2,,3.63518e-05,-,3.7289999999999996,-,3.7289999999999996,https://www.genome.jp/dbget-bin/www_bget?dr:D00923
3209,D09793, Ceftizoxime alapivoxil hydrochloride (J, Third-generation cephalosporins,J01DD07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=CCS1)C(=O)OCOC(=O)C(C)(C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)NC(=O)[C@H](C)[NH3+],569.631,-0.1619,142.251,246.77,43,3,15,VOPANQNVVCPHQR-IVVGYLHBSA-O,C22H29N6O8S2+,CON=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)OCOC(=O)C(C)(C)C)c1csc(n1)NC(=O)C([NH3+])C,"InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/p+1/b27-13-/t10-,14+,18+/m0/s1",-5.4089,-5.3649,-5.3568,-4.7455,-4.5933,-4.4229,2.2592,2.3608,2.445,2.9114,2.9736,D09793_J01DD07,900311a71170082421214ec43e12000c550d04660040e0402404002c8052000418000146012a80fb80aee13300800040284bf002188001408042040a4004021c5c006c0001301b8105210c000ec0010e00b4045001ba334063620e2a888430130ca43258209b34400804808888010009400eb10e00481aa05060004482004304,0520000030f105,0900c10004004000030090002a000000000120000000d000000000000000000000004640c07a04,800480080850210043fa95fd37bbd06fd47b7aff1f,0,5,57,7,0,14,67,69,-10.764000000000001,-4.715,3,1.0,0.011909191000000001,+,6.8501,-,6.8501,https://www.genome.jp/dbget-bin/www_bget?dr:D09793
3210,D00258, Cefixime (JAN/USP/INN), Third-generation cephalosporins,J01DD08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C=C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OCC(=O)O)/c1csc(n1)N,453.45,0.3652,109.91,238.05,26,4,14,OKBVVJOGVLARMR-QSWIMTSFSA-N,C16H15N5O7S2,Nc1nc(cs1)C(=NOCC(=O)O)C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C=C,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",-5.0277,-5.024,-4.9033,-4.7534,-4.5603,-4.4337,2.3955,2.3987,2.5703,2.7256,3.0888,D00258_J01DD08,800231a391700824212146c40c10000c540d0406004060402404002c0052000418000156012bc4ae808ea03100800040284f7002180009008002040a0104001c5c006d0001201b8105210c000ec8010e00700450059a230041621e0a888418330c842690290334400100009888000009c006300e104a12a05068844682004304,0420800c00b123,1000010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000a500200c1f89dedb773d06fdc6f6a7f1f,0,5,35,7,0,9,45,47,-3.052,3.463,2,,8.80772e-08,-,4.8363,-,4.8363,https://www.genome.jp/dbget-bin/www_bget?dr:D00258
3211,D07640, Cefixime hydrate (JP17), Third-generation cephalosporins,J01DD08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C=C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OCC(=O)O)/c1csc(n1)N,453.45,0.3652,109.91,238.05,26,4,14,OKBVVJOGVLARMR-QSWIMTSFSA-N,C16H15N5O7S2,Nc1nc(cs1)C(=NOCC(=O)O)C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C=C,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",-5.0327,-5.0311,-4.9035,-4.7387,-4.5591,-4.4335,2.3977,2.4159,2.5302,2.5693,3.0884,D07640_J01DD08,800231a391700824212146c40c10000c540d0406004060402404002c0052000418000156012bc4ae808ea03100800040284f7002180009008002040a0104001c5c006d0001201b8105210c000ec8010e00700450059a230041621e0a888418330c842690290334400100009888000009c006300e104a12a05068844682004304,0420800c00b123,1000010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000a500200c1f89dedb773d06fdc6f6a7f1f,0,5,35,7,0,9,45,47,-3.052,3.463,2,1.0,8.986469999999999e-08,-,4.8363,-,4.8363,https://www.genome.jp/dbget-bin/www_bget?dr:D07640
3212,D07643, Cefodizime (INN), Third-generation cephalosporins,J01DD09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nc(c(s1)CC(=O)O)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,584.669,1.9087,142.423,304.48,33,4,17,XDZKBRJLTGRPSS-BGZQYGJUSA-N,C20H20N6O7S4,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C,"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1",-5.0297,-5.0197,-4.9156,-4.7434,-4.5466,-4.4283,2.3751,2.3912,2.4272,2.5317,3.0911,D07643_J01DD09,c00219a391700824e32946c40c10028c540d0406024260402405003c0053040618000956016b84ab80ceac310088204028cb7082380001048002070a0004801d5c086c0001305bb105213e001ec0090e00300450019a230041624e0a888452130c842230a023764004000098c8400009d627380e204b12a0507008468a804304,0420800c00b123,0300090820004000030088002a000080000120000000d000000000000000000000004640407804,800480000850028441f89dfdb723d86fdcef7aff1f,0,10,44,6,0,11,57,60,-2.9019999999999997,2.015,2,0.0,9.40082e-07,-,11.2864,-,11.2864,https://www.genome.jp/dbget-bin/www_bget?dr:D07643
3213,D01863, Cefodizime sodium (JP17), Third-generation cephalosporins,J01DD09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nc(c(s1)CC(=O)O)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,584.669,1.9087,142.423,304.48,33,4,17,XDZKBRJLTGRPSS-BGZQYGJUSA-N,C20H20N6O7S4,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C,"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1",-5.0281,-5.0241,-4.9007,-4.7548,-4.5576,-4.4241,2.3534,2.3673,2.408,2.5977,3.0867,D01863_J01DD09,c00219a391700824e32946c40c10028c540d0406024260402405003c0053040618000956016b84ab80ceac310088204028cb7082380001048002070a0004801d5c086c0001305bb105213e001ec0090e00300450019a230041624e0a888452130c842230a023764004000098c8400009d627380e204b12a0507008468a804304,0420800c00b123,0300090820004000030088002a000080000120000000d000000000000000000000004640407804,800480000850028441f89dfdb723d86fdcef7aff1f,0,10,44,6,0,11,57,60,-2.9010000000000002,2.017,2,0.0,9.401359999999999e-07,-,9.1457,-,9.1457,https://www.genome.jp/dbget-bin/www_bget?dr:D01863
3214,D03424, Cefetamet (USAN/INN), Third-generation cephalosporins,J01DD10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,397.42900000000003,0.7443,98.9979,200.75,25,3,12,MQLRYUCJDNBWMV-GHXIOONMSA-N,C14H15N5O5S2,CON=C(c1csc(n1)N)C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C,"InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",-5.0324,-5.0249,-4.9072,-4.7323,-4.3916,-4.2943,2.1128,2.3299,2.4051,2.5353,3.0856,D03424_J01DD10,800211a391700824212146c40c10000c540d0406004060402404002c0052000418000146012b80aa808ea03100800040284b7002180001008002040a0004001c5c006c0001201b8105210c000ec0010e00300450019a230041620e0a888410130c8422102003344000000088880000094006300e004a12a05060004682004304,0420800c00b123,0100010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000850020041f89dfd3723d46fd46d7afb1f,0,5,33,5,0,6,41,43,-4.78,1.198,2,0.0,0.000101586,-,4.1859,-,4.1859,https://www.genome.jp/dbget-bin/www_bget?dr:D03424
3215,D01629, Cefetamet pivoxil hydrochloride (JAN), Third-generation cephalosporins,J01DD10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C)C(=O)OCOC(=O)C(C)(C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,511.57199999999995,1.7497,128.378,216.05,38,2,14,DASYMCLQENWCJG-XUKDPADISA-N,C20H25N5O7S2,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C,"InChI=1S/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)/b24-11-/t12-,16-/m1/s1",-5.0273,-5.0202,-4.7335,-4.4174,-4.38,-4.2961,1.841,2.2838,2.3439,2.3912,3.0839999999999996,D01629_J01DD10,900211a391700824212146c40e12000c550d04260040e0402404002c0052000418000146012b80bb808ea13100800040284b7002188001408002040a4004021c5c006c0001301b8105210c000ec0010e00b00450019a234061620e0a888430130ca42258201b34400000808888010009400eb10e004a12a05060004682004304,0420800030b125,0900010800004000030090002a000000000120000000d000000000000000000000004640407804,800480080850020043fa9dfd37bbd46fd47b7aff1f,0,5,50,6,0,11,59,61,-8.767999999999999,-0.6709999999999999,2,,0.214850619,+,5.9644,-,5.9644,https://www.genome.jp/dbget-bin/www_bget?dr:D01629
3216,D03428, Cefpiramide (USP/INN), Third-generation cephalosporins,J01DD11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)c1c(cc(nc1)C)O)c1ccc(cc1)O,612.637,1.0464,152.548,263.36,39,5,17,PWAUCHMQEXVFJR-PMAPCBKXSA-N,C25H24N8O7S2,Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1cnc(cc1O)C,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",-4.9313,-4.7544,-4.1572,-3.9004,-3.8789,-3.8364,2.1611,2.3494,2.4083,2.612,2.6511,D03428_J01DD11,c40635ab916004a4e32146c00401600c5005048040407208200000e0001204261c01408703138463008e2439008006c02803760219002100840a0002002482154c284c0281041bc005210c0006c8018b00b004400500210950481f0a880500110c940012204320020c800200a0100401d007315c2043126018e8904282804010,0400800c02b103,0100090020000000030088002a0000c0c001000000019800000000000000000000004640407804,8004000008503a8421dc95fd172b914f96effbff1f,0,17,48,5,0,11,66,70,-5.239,0.9009999999999999,3,1.0,4.9602700000000005e-05,+,6.1744,-,6.1744,https://www.genome.jp/dbget-bin/www_bget?dr:D03428
3217,D01904, Cefpiramide sodium (JP17/USAN), Third-generation cephalosporins,J01DD11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)c1c(cc(nc1)C)O)c1ccc(cc1)O,612.637,1.0464,152.548,263.36,39,5,17,PWAUCHMQEXVFJR-PMAPCBKXSA-N,C25H24N8O7S2,Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1cnc(cc1O)C,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",-4.9317,-4.75,-4.1601,-3.94,-3.8765,-3.8339,2.2003,2.3532,2.406,2.6184,2.655,D01904_J01DD11,c40635ab916004a4e32146c00401600c5005048040407208200000e0001204261c01408703138463008e2439008006c02803760219002100840a0002002482154c284c0281041bc005210c0006c8018b00b004400500210950481f0a880500110c940012204320020c800200a0100401d007315c2043126018e8904282804010,0400800c02b103,0100090020000000030088002a0000c0c001000000019800000000000000000000004640407804,8004000008503a8421dc95fd172b914f96effbff1f,0,17,48,5,0,11,66,70,-5.244,0.9,3,,4.96453e-05,+,6.1423,-,6.1423,https://www.genome.jp/dbget-bin/www_bget?dr:D01904
3218,D07645, Cefoperazone (INN), Third-generation cephalosporins,J01DD12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1C(=O)C(=O)N(CC1)CC)c1ccc(cc1)O,645.6669999999999,-0.5165,164.19400000000002,270.86,44,4,19,GCFBRXLSHGKWDP-XCGNWRKASA-N,C25H27N9O8S2,CCN1CCN(C(=O)C1=O)C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1",-5.2964,-4.9111,-4.74,-4.6141,-4.2899,-4.2173,2.4002,2.528,2.5383,2.6436,2.6455,D07645_J01DD12,c40611ab916004a4e32146c00001200c5005048000407200200000a0001200261800408723130443008e2139008106c02903760259000100800a0002104480154c084800010019c005210c0006e8010f00b004400100210940480e0a880400150cb40012240320020c80000080000001c00f310c204312601860904382004100,0400800c02b143,0100090020000000030088002a0000c00041040000019800000000000000000000004640407804,8004000018502a84a1dcb5ff1f6bbb4f97efffff1f,0,11,57,7,0,12,71,75,-5.312,1.335,3,0.0,1.5772e-05,+,8.2044,-,8.2044,https://www.genome.jp/dbget-bin/www_bget?dr:D07645
3219,D00918, Cefoperazone sodium (JP17/USP), Third-generation cephalosporins,J01DD12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)CSc1nnnn1C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1C(=O)C(=O)N(CC1)CC)c1ccc(cc1)O,645.6669999999999,-0.5165,164.19400000000002,270.86,44,4,19,GCFBRXLSHGKWDP-XCGNWRKASA-N,C25H27N9O8S2,CCN1CCN(C(=O)C1=O)C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1",-5.3073,-4.9095,-4.7108,-4.6074,-4.2777,-4.2173,2.4003,2.5295,2.5351,2.6426,2.6429,D00918_J01DD12,c40611ab916004a4e32146c00001200c5005048000407200200000a0001200261800408723130443008e2139008106c02903760259000100800a0002104480154c084800010019c005210c0006e8010f00b004400100210940480e0a880400150cb40012240320020c80000080000001c00f310c204312601860904382004100,0400800c02b143,0100090020000000030088002a0000c00041040000019800000000000000000000004640407804,8004000018502a84a1dcb5ff1f6bbb4f97efffff1f,0,11,57,7,0,12,71,75,-5.305,1.341,3,,1.5781900000000002e-05,+,8.1725,-,8.1725,https://www.genome.jp/dbget-bin/www_bget?dr:D00918
3220,D07650, Cefpodoxime (INN), Third-generation cephalosporins,J01DD13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,427.455,0.3708,104.89,209.98,28,3,13,WYUSVOMTXWRGEK-HBWVYFAYSA-N,C15H17N5O6S2,CON=C(c1csc(n1)N)C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",-5.0317,-5.0207,-4.9059,-4.7331,-4.3813,-4.2725,2.0747,2.3405,2.3930000000000002,2.5387,3.0935,D07650_J01DD13,900211a391700824212146c40c12000c540d0406004060402414002c0072008418000146012f80ab808ea03100800040284b7002180001008002040a0004401c5c006c0001201b8105210c000ec0010e01b00450019b234241620e0a888410130c8422102003344400000088880000094006310e604a12a05060004682004304,0420800c30b123,0080010800004000030088002a000080000120000000d000000000000000000000004640407804,800480000850020041f8bdfd373bd46fd46f7aff1f,0,5,37,5,0,8,45,47,-4.934,1.219,2,-6.0,0.000213328,-,4.032,-,4.032,https://www.genome.jp/dbget-bin/www_bget?dr:D07650
3221,D00920, Cefpodoxime proxetil (JP17/USP), Third-generation cephalosporins,J01DD13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC)C(=O)O[C@H](OC(=O)OC(C)C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,557.597,1.7369999999999999,136.004,234.51,42,2,16,LTINZAODLRIQIX-OLEGMKQCSA-N,C21H27N5O9S2,COCC1=C(C(=O)OC(OC(=O)OC(C)C)C)N2C(SC1)C(C2=O)NC(=O)C(=NOC)c1csc(n1)N,"InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10-,14-,18-/m1/s1",-5.855,-5.03,-5.0198,-4.7574,-4.3921,-4.2956,2.1889,2.3582,2.4368,2.9762,3.0955,D00920_J01DD13,900211a391700824212146c40e12000c550d04260040e0402414002c0076008418001146012f80bb908ea53100800040284b7002180001608002040a4004421c5c006c0009301b8105210c000ec0010e01b00550019b2342e1620e0a888430130ca42258201334460000808888010009400eb18e604a12a05060004682004304,0420800030b125,0180010800004000030090002a000000004920000000d000000000000000000000004640407804,804480000850020041fabdfd373bd46fd47bfaff1f,0,5,55,6,0,14,64,66,-8.777000000000001,-0.675,3,,0.260577708,+,5.803,-,5.803,https://www.genome.jp/dbget-bin/www_bget?dr:D00920
3222,D00922, Ceftibuten (USAN/INN), Third-generation cephalosporins,J01DD14,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=CCS1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=C\CC(=O)O)/c1csc(n1)N,410.425,0.8618,101.125,216.46,23,4,12,UNJFKXSSGBWRBZ-BJCIPQKHSA-N,C15H14N4O6S2,OC(=O)CC=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)O)c1csc(n1)N,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",-5.0303,-5.0208,-4.9109,-4.7321,-4.5706,-4.4169,2.3612,2.3705,2.3834,2.4152,2.5496,D00922_J01DD14,800211a311700024212146c40c00010c54870400004068002004002e0052000518000146018a402b800ea0f5008c00402c577002180001008803000a000400344c006c0007201b8105210f000ec1010a00300450018a210040621e0ac00400110c842218600330e000000000800000094006300e0058122100e0004092004304,0400000c00b123,1200010800000000030088002a000080000120000000d000000000000000000000004640407804,800400000850020001d89dcc97239047dc6d6a7f1f,0,5,32,6,0,7,41,43,-3.225,4.096,2,,8.74126e-09,-,4.2451,-,4.2451,https://www.genome.jp/dbget-bin/www_bget?dr:D00922
3223,D02121, Ceftibuten hydrate (JP17), Third-generation cephalosporins,J01DD14,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=CCS1)C(=O)O)C(=O)[C@H]2NC(=O)/C(=C\CC(=O)O)/c1csc(n1)N,410.425,0.8618,101.125,216.46,23,4,12,UNJFKXSSGBWRBZ-BJCIPQKHSA-N,C15H14N4O6S2,OC(=O)CC=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)O)c1csc(n1)N,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",-5.0261,-5.0258,-4.9157,-4.7248,-4.577,-4.4174,2.3475,2.3682,2.3826,2.4242,2.5466,D02121_J01DD14,800211a311700024212146c40c00010c54870400004068002004002e0052000518000146018a402b800ea0f5008c00402c577002180001008803000a000400344c006c0007201b8105210f000ec1010a00300450018a210040621e0ac00400110c842218600330e000000000800000094006300e0058122100e0004092004304,0400000c00b123,1200010800000000030088002a000080000120000000d000000000000000000000004640407804,800400000850020001d89dcc97239047dc6d6a7f1f,0,5,32,6,0,7,41,43,-3.227,4.093999999999999,2,,8.72425e-09,-,4.2451,-,4.2451,https://www.genome.jp/dbget-bin/www_bget?dr:D02121
3224,D00917, Cefdinir (JP17/USAN/INN), Third-generation cephalosporins,J01DD15,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C=C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\O)/c1csc(n1)N,395.414,0.7382,98.1684,211.75,23,4,12,RTXOFQZKPXMALH-GHXIOONMSA-N,C14H13N5O5S2,ON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C=C,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",-5.032,-5.0259,-4.8993,-4.7328,-4.3874,-4.3043,2.1033,2.3536,2.4037,2.5243,3.0862,D00917_J01DD15,800211a391700824212146c40c10000c540d0406004060402004002c0052000418000146012bc4aa800ea03100800040284b7002180009008002000a0004001c5c006c0001201b8105210c000ec0010a00300450019a230041621e0a800410330c842610210330400100008088000009c006300e104a12a01060044682004304,0410800c00b123,1000010800002000030088002a000080000120000000d000000000000000000000004640407804,800480000a50120051f89ded3723d04fd46d6a7b1f,0,5,30,6,0,6,39,41,-4.917,1.157,2,,8.18332e-05,-,4.1717,-,4.1717,https://www.genome.jp/dbget-bin/www_bget?dr:D00917
3225,D07639, Cefditoren (INN), Third-generation cephalosporins,J01DD16,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)/C=C\C1=SC=N[C@H]1C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,508.594,0.7845,137.69899999999998,251.91,31,4,13,LNDKFQIFVMKRDT-YSDPARKFSA-N,C19H20N6O5S3,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C=CC1=SC=NC1C)c1csc(n1)N,"InChI=1S/C19H20N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-8,13,17,33H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t8-,13+,17+/m0/s1",-5.0285,-5.0280000000000005,-4.9071,-4.7323,-4.3874,-4.2952,2.115,2.3467,2.4086,2.5242,3.0762,D07639_J01DD16,881235e391700824213946c42c10000c550d048600406040240c022c005220843a40014605abc5aa808ea03100b00040294b700298000900c002040b100c009c5c006c0001201b8105210e200ec0030e00348451019a238041621e0ac884183b1e84261021033e4001001088a8000049c006300e104a12a050e0044682004304,a420800c00b123,1100010800004000030088002a000080000120000000d000000000000000000000004640437804,800480000850020041f99dfd3723d06fd46d7afb1f,0,5,42,8,0,8,52,55,-4.492,1.055,3,1.0,0.002925079,-,6.459,-,6.459,https://www.genome.jp/dbget-bin/www_bget?dr:D07639
3226,D01628, Cefditoren pivoxil (JP17), Third-generation cephalosporins,J01DD16,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)/C=C\c1c(ncs1)C)C(=O)OCOC(=O)C(C)(C)C)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,620.721,3.2081,158.628,257.18,42,2,16,AFZFFLVORLEPPO-UVYJNCLZSA-N,C25H28N6O7S3,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)C=Cc1scnc1C,"InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1",-5.0278,-5.023,-4.7524,-4.4339,-4.3818,-4.2484,1.8655,2.2651,2.3076,2.3651,3.0668,D01628_J01DD16,900211a391700824212946cc4e12000c550d05260040e0c02405002c005204171840015601abc4bb808ea931108010402a4b7082988009408002c41a4004021c5c006c0003301b8105212e200ec0010e00b40450059a234061621e0a888430730ca426d8a11bf4c0050080888c41000bd00eb10e104a12a05060044682404b04,0420800030b125,1900010800004000030090002a000000000120000000d000000000000000000000004640437804,800480080850020043fa9dfd37bbd06fd4fb7aff1f,0,10,55,7,0,13,69,72,-8.804,-1.215,2,0.0,0.954700351,+,9.0296,-,9.0296,https://www.genome.jp/dbget-bin/www_bget?dr:D01628
3227,D07638, Cefcapene (INN), Third-generation cephalosporins,J01DD17,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)O)C(=O)[C@H]2NC(=O)/C(=C\CC)/c1csc(n1)N,453.49300000000005,1.9629,113.348,231.48,30,4,13,HJJRIJDTIPFROI-NVKITGPLSA-N,C17H19N5O6S2,CCC=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N,"InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1",-6.6452,-5.2508,-5.0287,-5.0254,-4.9105,-4.7366,2.2447,2.379,2.4099,2.521,2.8977,D07638_J01DD17,900391a391700024212146c40c12210c54870400004068002214002e0072008518000146018f402b800ea035008000402c577002180001008803000a000442344c007c0003201b8105212f000ec1010a01b00450018b314240621e0a800400110c842218200330e400000000800030094006310e604b122000e0404292004304,0400800c30b123,1300010800000000030088002a000080004120010000d000000000000000000000004640407804,800440000850020001d89dce17339267d46f6aff1f,0,5,40,6,0,9,49,51,-5.026,1.4809999999999999,2,0.0,0.0017743720000000002,-,4.8143,-,4.8143,https://www.genome.jp/dbget-bin/www_bget?dr:D07638
3228,D01680, Cefcapene pivoxil hydrochloride hydrate, Third-generation cephalosporins,J01DD17,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C)C(=O)[C@H]2NC(=O)/C(=C\CC)/c1csc(n1)N,567.635,2.9683,142.72899999999998,246.78,43,3,15,WVPAABNYMHNFJG-QDVBXLKVSA-N,C23H29N5O8S2,CCC=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)COC(=O)N,"InChI=1S/C23H29N5O8S2/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29)/b12-6-/t14-,18-/m1/s1",-6.6498,-5.2503,-5.0262,-5.0049,-4.7409,-4.4229,2.2354,2.2585,2.3659,2.4077,2.8807,D01680_J01DD17,900391a391700024212146c40e12210c558704240040e8002214002e0072008518000146018f403b800ea135008000402c577002188001408803000a400442344c007c0003301b8105212f000ec1010a01b00450018b314260621e0a800420110ca42258201b30e40000800080013009400eb10e604b122000e0404292004304,0400800030b125,1b00010800000000030090002a000000004120010000d000000000000000000000004640407804,800440080850020003da9dcf17bb9267d47b7aff1f,0,5,57,7,0,14,67,69,-8.639,-0.768,2,1.0,0.47578615,+,7.2204,-,7.2204,https://www.genome.jp/dbget-bin/www_bget?dr:D01680
3229,D02376, Cefepime (USAN/INN), Fourth-generation cephalosporins,J01DE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C[N+]1(CCCC1)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,481.569,0.9236,128.787,200.75,35,3,12,HVFLCNVBZFFHBT-ZKDACBOMSA-O,C19H25N6O5S2+,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[N+]1(C)CCCC1,"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12-/t13-,17-/m1/s1",-5.9879999999999995,-5.0309,-5.0237,-4.9267,-4.8275,-4.7499,2.2116,2.3459,2.3849,2.6981,3.0949,D02376_J01DE01,802211a391700824212546c40c10000c540d061600406840248c002c0052000418010146012b80aa808fa03100800040294b7003180001008003040a0004003c5c006c0001201b8105210d000ec0010e00300450819a2300c1620e0a888410130c8422302003344210000088880000094006300e004a12a050e0004682004304,0520800c00f123,0200410c04004000030088002a000080000120000000d000000000000000000000004640c07a04,800480200850030041fcbdfd3febfcefd56f7eff1f,0,5,50,5,0,8,57,60,-8.314,-0.705,2,0.0,0.061198595999999994,+,5.3015,-,5.3015,https://www.genome.jp/dbget-bin/www_bget?dr:D02376
3230,D01157, Cefepime hydrochloride (USP), Fourth-generation cephalosporins,J01DE01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)C[N+]1(CCCC1)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,481.569,0.9236,128.787,200.75,35,3,12,HVFLCNVBZFFHBT-ZKDACBOMSA-O,C19H25N6O5S2+,CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[N+]1(C)CCCC1,"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12-/t13-,17-/m1/s1",-5.9797,-5.03,-5.0233,-4.9656,-4.7992,-4.7664,2.3519,2.4102,2.4724,2.6819,3.0879,D01157_J01DE01,802211a391700824212546c40c10000c540d061600406840248c002c0052000418010146012b80aa808fa03100800040294b7003180001008003040a0004003c5c006c0001201b8105210d000ec0010e00300450819a2300c1620e0a888410130c8422302003344210000088880000094006300e004a12a050e0004682004304,0520800c00f123,0200410c04004000030088002a000080000120000000d000000000000000000000004640c07a04,800480200850030041fcbdfd3febfcefd56f7eff1f,0,5,50,5,0,8,57,60,-8.311,-0.705,2,-1.0,0.061197773,+,5.329,-,5.329,https://www.genome.jp/dbget-bin/www_bget?dr:D01157
3231,D07649, Cefpirome (INN), Fourth-generation cephalosporins,J01DE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1cccc3c1CCC3)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1csc(n1)N,515.585,1.9959,134.803,205.68,33,3,12,WMYFZHPCGCYLQG-WHRDSVKCSA-N,C22H23N6O5S2,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1cccc2c1CCC2)c1csc(n1)N,"InChI=1S/C22H23N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H2,23,24)(H,25,29)(H,31,32)/b26-15-/t16-,20-/m1/s1",-5.0301,-5.0156,-4.9381,-4.7573,-4.3904,-4.2839,2.0817,2.3451,2.4196,2.7113,3.0932,D07649_J01DE02,802211a391700a24212546c50c10000c540d061600406840248c002c0052000418011146012b80aa908fa03100800040294b7003182001008003040a0004003c5c006c0001201b8105210d000ec0010e00300550819a2300c1620e0a888410130c8422302003344200000088880000094006300e004a12a050e0004782004304,0420800c00b123,0600410a00004000030088002a000080000120000000d000000000000000000000004640407804,800480000850020041fcbdfd3f63f0efd56f6fff1f,0,5,57,5,0,8,63,67,-7.763,-2.947,2,1.0,0.275973499,+,5.5296,-,5.5296,https://www.genome.jp/dbget-bin/www_bget?dr:D07649
3232,D01401, Cefpirome sulfate (JP17/USAN), Fourth-generation cephalosporins,J01DE02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1cccc3c1CCC3)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1nsc(n1)N,516.573,1.3909,132.59799999999998,218.57,33,3,13,YTMZKOLQCISJJJ-AJTBVOQUSA-N,C21H22N7O5S2,CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1cccc2c1CCC2)c1nsc(n1)N,"InChI=1S/C21H22N7O5S2/c1-33-25-13(16-24-21(22)35-26-16)17(29)23-14-18(30)28-15(20(31)32)11(9-34-19(14)28)8-27-7-3-5-10-4-2-6-12(10)27/h3,5,7,14,19H,2,4,6,8-9H2,1H3,(H,23,29)(H,31,32)(H2,22,24,26)/b25-13-/t14-,19-/m1/s1",-5.0268,-5.0194,-4.8892,-4.7408,-4.3792,-4.2894,2.2574,2.3571,2.3988,2.5634,3.0694,D01401_J01DE02,802291a391500a24212544e10c100008500506540040c840248e402c0012004418011006012398aa928f003180840040290370031820012080038408000400745c00480001001b8105210d0086c0010e4039057081902300c142060a81a530130c8522302003344200000088880001014006300c004253a050e0004380004004,0420800c00b123,0600410a00004000030088002a000080000100000000d000000000000000000000004640407804,800480802950020045fcbdfd3f63f0efd76f6fff1f,0,5,56,5,0,8,62,66,-7.782,-2.926,2,1.0,0.186493963,+,5.7292,-,5.7292,https://www.genome.jp/dbget-bin/www_bget?dr:D01401
3233,D01052, Cefozopran (INN), Fourth-generation cephalosporins,J01DE03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1c3n(cc1)nccc3)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1nsc(n1)N,516.534,0.5499,128.72299999999998,235.87,30,3,15,FKDBLYBMFVPUEL-WHJQOFBOSA-N,C19H18N9O5S2,CON=C(c1nsc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1ccn2c1cccn2,"InChI=1S/C19H18N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H,22,29)(H,31,32)(H2,20,23,25)/b24-11-/t12-,17-/m1/s1",-5.032,-5.0206,-4.9182,-4.7367,-4.3846,-4.292,2.4317,2.5242,2.6535,3.0723,3.1573,D01052_J01DE03,88a395a391500824212dcce00c100009500506540040c940248e402c0012214418010006012398ea828f0131808500c0291b70035800112480278408000400745c00480001031ba105210d0086d0010e403b066099902300c146060b81a530130ea522302403354200000088c8004101400e300c404253a050e000428c004004,0420800c00b123,0200010800004042030088002a000080000100000000d000100000000000000000004640407804,8004808029500a0055fcbfffbf63f0efd76f6fff1f,0,5,54,5,0,8,60,64,-7.909,-2.7760000000000002,2,,0.005845885,+,6.7153,-,6.7153,https://www.genome.jp/dbget-bin/www_bget?dr:D01052
3234,D02233, Cefozopran hydrochloride (JP17), Fourth-generation cephalosporins,J01DE03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Cn1c3n(cc1)nccc3)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OC)/c1nsc(n1)N,516.534,0.5499,128.72299999999998,235.87,30,3,15,FKDBLYBMFVPUEL-WHJQOFBOSA-N,C19H18N9O5S2,CON=C(c1nsc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cn1ccn2c1cccn2,"InChI=1S/C19H18N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H,22,29)(H,31,32)(H2,20,23,25)/b24-11-/t12-,17-/m1/s1",-5.0284,-5.0203,-4.8875,-4.7406,-4.3827,-4.3164,2.4023,2.5805,2.6715,3.0715,3.1661,D02233_J01DE03,88a395a391500824212dcce00c100009500506540040c940248e402c0012214418010006012398ea828f0131808500c0291b70035800112480278408000400745c00480001031ba105210d0086d0010e403b066099902300c146060b81a530130ea522302403354200000088c8004101400e300c404253a050e000428c004004,0420800c00b123,0200010800004042030088002a000080000100000000d000100000000000000000004640407804,8004808029500a0055fcbfffbf63f0efd76f6fff1f,0,5,54,5,0,8,60,64,-7.91,-2.78,2,-2.0,0.005852215,+,6.7316,-,6.7316,https://www.genome.jp/dbget-bin/www_bget?dr:D02233
3235,D00240, Aztreonam (JP17/USP/INN), Monobactams,J01DF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N([C@H]1C)S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C(=O)O)C)/c1csc(n1)[NH3+],436.441,-0.4717,100.039,239.82,28,4,13,WZPBZJONDBGPKJ-VEHQQRBSSA-O,C13H18N5O8S2+,CC1C(NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)[NH3+])C(=O)N1S(=O)(=O)O,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/p+1/b17-8-/t5-,7-/m0/s1",-10.5274,-10.5139,-9.918,-9.7813,-5.3407,-5.0861,2.6359,2.6436,2.8783,3.1642,5.5138,D00240_J01DF01,e022212000700824012006440c10000c14080086010020400404000c0050000038000172013880ad808ea03000000000014e6000100000008000040a114000081c002d0001244281032000000a88000e0070005014ba220081a21c00888018020894229008011600000000980800000900066007000810805038804c82000304,0420000c00b023,0100000000004000000088000a000000000000000000d000000001000000000000000640402804,80048000c9c0409ad7f785e921a2d06fd67dfafa1b,0,5,36,6,0,8,46,47,-5.21,-1.153,2,,1.9083200000000002e-07,-,3.7110000000000003,-,3.7110000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D00240
3236,D06558, Aztreonam lysine (USAN), Monobactams,J01DF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N([C@H]1C)S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C(=O)O)C)/c1csc(n1)[NH3+],436.441,-0.4717,100.039,239.82,28,4,13,WZPBZJONDBGPKJ-VEHQQRBSSA-O,C13H18N5O8S2+,CC1C(NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)[NH3+])C(=O)N1S(=O)(=O)O,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/p+1/b17-8-/t5-,7-/m0/s1",-10.5434,-10.4818,-9.9263,-9.6351,-5.3141,-5.0404,2.6216,2.6429,3.1782,3.2261,5.5494,D06558_J01DF01,e022212000700824012006440c10000c14080086010020400404000c0050000038000172013880ad808ea03000000000014e6000100000008000040a114000081c002d0001244281032000000a88000e0070005014ba220081a21c00888018020894229008011600000000980800000900066007000810805038804c82000304,0420000c00b023,0100000000004000000088000a000000000000000000d000000001000000000000000640402804,80048000c9c0409ad7f785e921a2d06fd67dfafa1b,0,5,36,6,0,8,46,47,-5.211,-1.155,2,2.0,1.9127e-07,-,3.7110000000000003,-,3.7110000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D06558
3237,D07625, Carumonam (INN), Monobactams,J01DF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N([C@@H]1COC(=O)N)S(=O)(=O)O)NC(=O)/C(=N\OCC(=O)O)/c1csc(n1)N,466.404,-0.1846,99.2981,290.52,28,5,17,UIMOJFJSJSIGLV-JNHMLNOCSA-N,C12H14N6O10S2,NC(=O)OCC1C(NC(=O)C(=NOCC(=O)O)c2csc(n2)N)C(=O)N1S(=O)(=O)O,"InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1",-10.6676,-10.5202,-9.9132,-9.5082,-6.6324,-5.2998,2.8943,3.1039,3.154,5.3223,5.4711,D07625_J01DF02,e022212000700824072006440c12000c150800860302a0400604080c2158000078000172813880bf808eb0310000000001ce60081000c0008001040a114026181c003d0001345281032300000a88000e00f0005014ba220081a21c00888018020894229009011600000000988800100900076107000b10805078c04c82000704,0420000c30b023,0000000800004000000088000a000000004020010000d000000001000000000000000640402804,8004c000c9c0409ad5f58defa1f2d06fde6f6a7f1b,0,5,33,7,0,11,44,45,-2.986,3.944,2,1.0,5.401789999999999e-09,-,4.5067,-,4.5067,https://www.genome.jp/dbget-bin/www_bget?dr:D07625
3238,D01560, Carumonam sodium (JP17/USAN), Monobactams,J01DF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C(=O)N([C@@H]1COC(=O)N)S(=O)(=O)O)NC(=O)/C(=N\OCC(=O)O)/c1csc(n1)N,466.404,-0.1846,99.2981,290.52,28,5,17,UIMOJFJSJSIGLV-JNHMLNOCSA-N,C12H14N6O10S2,NC(=O)OCC1C(NC(=O)C(=NOCC(=O)O)c2csc(n2)N)C(=O)N1S(=O)(=O)O,"InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1",-10.5248,-10.5149,-9.9415,-9.5564,-6.6556,-5.2699,2.9022,3.0895,3.1579,3.5133,5.5191,D01560_J01DF02,e022212000700824072006440c12000c150800860302a0400604080c2158000078000172813880bf808eb0310000000001ce60081000c0008001040a114026181c003d0001345281032300000a88000e00f0005014ba220081a21c00888018020894229009011600000000988800100900076107000b10805078c04c82000704,0420000c30b023,0000000800004000000088000a000000004020010000d000000001000000000000000640402804,8004c000c9c0409ad5f58defa1f2d06fde6f6a7f1b,0,5,33,7,0,11,44,45,-2.983,3.945,2,,5.40025e-09,-,4.4908,-,4.4908,https://www.genome.jp/dbget-bin/www_bget?dr:D01560
3239,D08185, Meropenem (INN), Carbapenems,J01DH02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)C(=O)N(C)C,384.47,0.1729,105.32799999999999,140.06,33,3,8,DMJNNHOOLUXYBV-PQTSNVLCSA-O,C17H26N3O5S+,CC(C1C(=O)N2C1C(C)C(=C2C(=O)O)SC1C[NH2+]C(C1)C(=O)N(C)C)O,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/p+1/t7-,8-,9+,10+,11-,12-/m1/s1",-5.7096,-5.68,-4.9102,-4.8705,-4.7452,-4.4038,2.272,2.3371,2.4047,2.5752,2.7618,D08185_J01DH02,00220143004001242124040604101009000504902042420004040000011000041800300681830003a01e143100800040010600005020c14043040041003001144c000800010408a4003004001680035e0030074040002040c8c014020004e0c504840038e003088818581002880008004004101c000010a00054004b00004100,0500002c00e103,072840010400000000208800320000004001000000000000000000000000000000004440c07a05,8004040000100180004abfdf8d699047857dfafb19,0,0,50,4,0,6,52,54,-7.547000000000001,-1.226,6,1.0,0.000340255,-,3.0688,-,3.0688,https://www.genome.jp/dbget-bin/www_bget?dr:D08185
3240,D02222, Meropenem (USP), Carbapenems,J01DH02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)C(=O)N(C)C,384.47,0.1729,105.32799999999999,140.06,33,3,8,DMJNNHOOLUXYBV-PQTSNVLCSA-O,C17H26N3O5S+,CC(C1C(=O)N2C1C(C)C(=C2C(=O)O)SC1C[NH2+]C(C1)C(=O)N(C)C)O,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/p+1/t7-,8-,9+,10+,11-,12-/m1/s1",-5.7098,-5.6721,-4.9075,-4.8552,-4.7448,-4.4055,2.2679,2.3431,2.3963,2.5706,2.7831,D02222_J01DH02,00220143004001242124040604101009000504902042420004040000011000041800300681830003a01e143100800040010600005020c14043040041003001144c000800010408a4003004001680035e0030074040002040c8c014020004e0c504840038e003088818581002880008004004101c000010a00054004b00004100,0500002c00e103,072840010400000000208800320000004001000000000000000000000000000000004440c07a05,8004040000100180004abfdf8d699047857dfafb19,0,0,50,4,0,6,52,54,-7.547999999999999,-1.229,6,,0.000256905,-,3.0688,-,3.0688,https://www.genome.jp/dbget-bin/www_bget?dr:D02222
3241,D07908, Ertapenem (INN), Carbapenems,J01DH03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O,476.523,1.4946,128.60399999999998,186.15,34,5,10,JUZNIMUFDBIJCM-ANEDZVCMSA-O,C22H26N3O7S+,O=C(C1[NH2+]CC(C1)SC1=C(C(=O)O)N2C(C1C)C(C2=O)C(O)C)Nc1cccc(c1)C(=O)O,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/p+1/t9-,10-,13+,14+,15-,16-/m1/s1",-5.7032,-5.6217,-4.9119,-4.8726,-4.7158,-4.4012,2.3236,2.364,2.3689,2.5559,2.7358,D07908_J01DH03,00220143004001e42124060604905229800504902042420004040080011004041e00700681a30023a01e163900801040010600805020c14843040043003005144c00081041040aa4003014001680035e00b0074044002840d8ca14020005e0c504840038e003088818781002880008244006111c200110e0005c004b02404100,0500002c00f103,0728400104000000002088002a0000004001000000000000000000000000000000004640c07a05,800404000010218000489fcf8d619047d56dfafb1f,0,6,51,5,0,8,59,62,-5.421,0.511,6,1.0,2.05048e-05,-,4.2588,-,4.2588,https://www.genome.jp/dbget-bin/www_bget?dr:D07908
3242,D04049, Ertapenem sodium (USAN), Carbapenems,J01DH03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O,476.523,1.4946,128.60399999999998,186.15,34,5,10,JUZNIMUFDBIJCM-ANEDZVCMSA-O,C22H26N3O7S+,O=C(C1[NH2+]CC(C1)SC1=C(C(=O)O)N2C(C1C)C(C2=O)C(O)C)Nc1cccc(c1)C(=O)O,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/p+1/t9-,10-,13+,14+,15-,16-/m1/s1",-5.7111,-5.6616,-4.8985,-4.8587,-4.7405,-4.4192,2.2985,2.3546,2.3769,2.5695,2.7026,D04049_J01DH03,00220143004001e42124060604905229800504902042420004040080011004041e00700681a30023a01e163900801040010600805020c14843040043003005144c00081041040aa4003014001680035e00b0074044002840d8ca14020005e0c504840038e003088818781002880008244006111c200110e0005c004b02404100,0500002c00f103,0728400104000000002088002a0000004001000000000000000000000000000000004640c07a05,800404000010218000489fcf8d619047d56dfafb1f,0,6,51,5,0,8,59,62,-5.428999999999999,0.526,6,-1.0,2.0474e-05,-,4.2185,-,4.2185,https://www.genome.jp/dbget-bin/www_bget?dr:D04049
3243,D03895, Doripenem (USAN/INN), Carbapenems,J01DH04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)CNS(=O)(=O)N,421.51199999999994,1.0498,107.09100000000001,200.32,34,5,10,AVAACINZEOAHHE-VFZPANTDSA-O,C15H25N4O6S2+,CC(C1C(=O)N2C1C(C)C(=C2C(=O)O)SC1C[NH2+]C(C1)CNS(=O)(=O)N)O,"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/p+1/t6-,7-,8+,9+,10-,11-/m1/s1",-13.2708,-12.4015,-10.3345,-10.1875,-5.7973,-5.7054,3.6876,4.0208,4.2935,4.3319,4.3729,D03895_J01DH04,60220143004001242124044604101009100504902040420004040000011000043800b03681830003a01e143100800040014600005020c14043040041003001144c000800010448a4011004000680035e0030074040202040c8c114020004e04504840038e0030a08185810008800080040043019000010a60054004ba4004100,0500002c00e103,072840010400000000208800200000004001000000000000004001000000000000004440c07a05,800404000114619a14599fefade390cf876ffaff19,0,0,49,5,0,7,52,54,-7.727,-2.153,6,-1.0,0.00034161099999999997,-,3.3427,-,3.3427,https://www.genome.jp/dbget-bin/www_bget?dr:D03895
3244,D01836, Doripenem hydrate (JAN), Carbapenems,J01DH04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3[C@H]2C)[C@@H](C)O)C(=O)O)C[NH2+][C@@H](C1)CNS(=O)(=O)N,421.51199999999994,1.0498,107.09100000000001,200.32,34,5,10,AVAACINZEOAHHE-VFZPANTDSA-O,C15H25N4O6S2+,CC(C1C(=O)N2C1C(C)C(=C2C(=O)O)SC1C[NH2+]C(C1)CNS(=O)(=O)N)O,"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/p+1/t6-,7-,8+,9+,10-,11-/m1/s1",-13.3746,-12.2008,-10.3197,-10.216000000000001,-5.7755,-5.7543,3.6693,4.1264,4.2759,4.3524,4.3784,D01836_J01DH04,60220143004001242124044604101009100504902040420004040000011000043800b03681830003a01e143100800040014600005020c14043040041003001144c000800010448a4011004000680035e0030074040202040c8c114020004e04504840038e0030a08185810008800080040043019000010a60054004ba4004100,0500002c00e103,072840010400000000208800200000004001000000000000004001000000000000004440c07a05,800404000114619a14599fefade390cf876ffaff19,0,0,49,5,0,7,52,54,-7.742999999999999,-2.145,6,,0.00034306699999999996,-,3.3427,-,3.3427,https://www.genome.jp/dbget-bin/www_bget?dr:D01836
3245,D01057, Biapenem (JAN/USAN/INN), Carbapenems,J01DH05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(C(=O)N2[C@@H]1[C@H](C(=C2C(=O)O)SC1Cn2n(C1)c[nH]c2)C)[C@@H](C)O,352.409,0.3869,91.7073,128.79,25,3,7,DUGXKEGSUKXAIF-YJFSRANCSA-N,C15H20N4O4S,CC(C1C(=O)N2C1C(C)C(=C2C(=O)O)SC1Cn2n(C1)c[nH]c2)O,"InChI=1S/C15H20N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,16,20H,3-4H2,1-2H3,(H,22,23)/t7-,8-,10-,11-/m1/s1",-4.8866,-4.841,-4.8178,-4.7419,-4.6022,-3.8968,1.9945,2.3792,2.5657,2.8341,2.9813,D01057_J01DH05,00a201430140112431248c0404101001200504902040420000041000011021041800300880830043809e171900810040010200005020c14443040041003001144c000800010608a0001004000690235e003007404a002042e8c910060004e00506a40038e50308080058100088006800400c1010000010a00054004b0e004100,0400002c00a103,052800000000004200208800200000004001000000000000100000000000000000004440407805,800404080010088000d8b7ef1d6190cf856ffafb19,0,0,46,3,0,4,46,49,-15.4,-12.629000000000001,4,,4.72839e-10,+,3.3403,-,3.3403,https://www.genome.jp/dbget-bin/www_bget?dr:D01057
3246,D02509, Panipenem and betamipron for injection, Carbapenems,J01DH55,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(SC2=C(N3C(=O)[C@@H]([C@H]3C2)[C@@H](C)O)C(=O)O)CN(CC1)C(=[NH2])C,340.418,0.8885,96.303,132.4,29,3,7,UKKLOJBWWGWZDA-DLYFRVTGSA-N,C15H22N3O4S,CC(C1C(=O)N2C1CC(=C2C(=O)O)SC1CCN(C1)C(=[NH2])C)O,"InChI=1S/C15H22N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,19H,3-6,16H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1",-5.4647,-4.975,-4.8944,-4.8379,-4.8204,-4.7455,1.8179,1.9153,1.9216,2.3704,2.6035,D02509_J01DH55,00220143004001a42124040614101001000504902040424004040000011000041800300480832003801e141100800040810200005020c14043040041003801144c001800010408a0001004000680035e0030074040002040cbc010020006e04504840038e0030808185810008800080040041018000010a00054004b00004100,0400002c00a103,0728c0000000000000208800200000004001000000000000000000000000000000004440407805,8004040020100080003cbdcf0d69f8c7856ffefb19,0,0,43,4,0,5,45,47,-7.544,-2.1719999999999997,4,0.0,0.001912319,-,2.8253,-,2.8253,https://www.genome.jp/dbget-bin/www_bget?dr:D02509
3247,D08886, Ceftobiprole medocaril (USAN), Other cephalosporins and penems,J01DI01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)/C=C\1/C(=O)N(CC1)[C@H]1CCN(C1)C(=O)OCc1c(oc(=O)o1)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\O)/c1nc(sn1)N,690.6619999999999,0.2474,170.74900000000002,317.84,43,4,21,HFTSMHTWUFCYMJ-SYOWECQBSA-N,C26H26N8O11S2,ON=C(c1nsc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C=C1CCN(C1=O)C1CCN(C1)C(=O)OCc1oc(=O)oc1C,"InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16+,22+/m0/s1",-5.8325,-5.4223,-5.2299,-5.0269,-5.0218,-4.8986,2.3575,2.3601,2.3963,2.533,3.0683,D08886_J01DI01,882299a3b15008a4313d4ee00d12000b7005267c0060c8442246422c401200441850600601a3dcead00f0c3980840040295f700398081960c007880a0804027c5c005a4001081b8105212f6086c5010e40bd0c6101902f00eb43160a8167b0331e856630210338421180418099000141c006300c11425ba010f644ca90005305,0410800c30b123,1300010800002000030088002a000080004900010000f100000000000000000000004640407804,8044c08029501221d5fcbded3f73f9efdfefeeff1f,0,10,59,9,0,11,73,78,-5.249,0.95,3,2.0,0.000150379,+,13.47,-,13.47,https://www.genome.jp/dbget-bin/www_bget?dr:D08886
3248,D08884, Ceftaroline fosamil (USAN/INN), Other cephalosporins and penems,J01DI02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]12N(C(=C(CS1)Sc1scc(n1)c1ccn(cc1)C)C(=O)O)C(=O)[C@H]2NC(=O)/C(=N\OCC)/c1nsc(n1)NP(=O)(O)O,685.693,2.4166,163.88299999999998,338.35,36,5,19,LEBFGLYDTTUJRV-NQJJCJBVSA-N,C22H22N8O8PS4,CCON=C(c1nsc(n1)NP(=O)(O)O)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Sc1scc(n1)c1ccn(cc1)C,"InChI=1S/C22H22N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H,24,31)(H,33,34)(H3,25,27,28,35,36,37)/b26-13-/t14-,19-/m1/s1",-10.5346,-10.5223,-10.2864,-10.2436,-4.9147,-4.7515,3.2921,3.5314,3.8748,3.9169,5.0598,D08884_J01DI02,c082b1a315500b24a92146e40c104408548507540050e0402406403c00130044d808196603a298aa82cf8437808c21602967780378100360c10a844e300720555c014e6001229ba905711e00dec8114e403905f0019a2340c1420e0a81ad3a93ac852238a803264200d800b88800910dc006381d204af3a0507410c18300430c,0420000c00b103,0700410200004000032088002a000080400100000000d000000000000080200000004640407804,8004809029d400a455fcb5fd3ff3feefd76f7fff1f,0,10,58,6,0,12,70,74,-1.8659999999999999,-1.075,2,1.0,4.63712e-11,-,8.8533,-,8.8533,https://www.genome.jp/dbget-bin/www_bget?dr:D08884
3249,D01839, Faropenem sodium hydrate (JP17), Other cephalosporins and penems,J01DI03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1OCCC1)[C@@H](C)O,285.316,0.3116,71.6026,112.37,21,2,7,HGGAKXAHAYOLDJ-WAYXCLAOSA-N,C12H15NO5S,CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,"InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,11-/m1/s1",-4.8956,-4.7416,-3.9074,-2.397,-2.3853,-2.3332,1.7651,1.8103,1.8167,1.9904,2.3722,D01839_J01DI03,900219e511400124210004420432100310250490204040003414000001b602841800304080870003801e141120800040090640005800c12003020041502441144c000800110408a000100c8002a00b5e01b0064041312042c84011880004804504140028e0022007285810008000081040041110214212800054000100004400,0400002c30a103,07a800000000000003208800200000004001000000000000000000000000000000004440407805,8004040008500021000895c90531b0478d4daefb19,0,0,33,3,0,3,34,36,-4.89,3.108,4,,9.81438e-06,+,2.3719,-,2.3719,https://www.genome.jp/dbget-bin/www_bget?dr:D01839
3250,D08919, Faropenem medoxomil (USAN), Other cephalosporins and penems,J01DI03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(OCCC1)C1=C(N2C(=O)[C@@H]([C@H]2S1)[C@@H](C)O)C(=O)OCc1oc(=O)oc1C,397.4,0.825,96.1778,144.72,27,1,10,JQBKWZPHJOEQAO-DVPVEWDBSA-N,C17H19NO8S,CC(C1C(=O)N2C1SC(=C2C(=O)OCc1oc(=O)oc1C)C1CCCO1)O,"InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1",-5.8328,-4.7456,-3.8946,-3.2118,-2.3939,-2.3393,1.4731,1.54,1.7651,1.8074,1.9059,D08919_J01DI03,980219e5b14001242100064205321003312504b82060c8043454020041b602841800704080a70053801e141920800040092640005800d920030200435824431c4c000840191c08a001302da002a40b5e01b80e6041392846ca4011888045804504140028e002300728585000910008104006119021421a800056008100005400,0400002c30b105,07a80000000000000320900020000000404900000000a100000000000000000000004640407805,8044040008500021800895c90533b96789cfbeff1b,0,5,40,4,0,6,46,49,-9.126,-0.878,4,1.0,0.221267059,+,4.7102,-,4.7102,https://www.genome.jp/dbget-bin/www_bget?dr:D08919
3251,D00145, Trimethoprim (JAN/USP/INN), Trimethoprim and derivatives,J01EA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(Cc2c(nc(nc2)N)N)cc(c(c(c1)OC)OC)OC,290.318,2.42,79.7698,105.51,25,2,7,IEDVJHCEMCRBQM-UHFFFAOYSA-N,C14H18N4O3,COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",-6.7899,-5.1316,-5.1241,-5.1203,-5.087,-4.8147,2.1202,2.3444,2.5217,3.4567,3.4653,D00145_J01EA01,c0040020000000400a004600880200000000004000001200000000800000040010004200400880200004000c00000000000a22400000480005000002000001000c800c0001000201000000200240000000b000400400002840080800000140000008000100a00442004008000810000210060908880100200800004203000008,0000000050b021,020002080000000000000000000000010000000000009000000000000000000000000600403800,0000000120001000819008130202816154f1f3fc1f,0,12,28,0,0,5,39,40,-8.906,0.18899999999999997,0,,0.054817949000000005,-,1.2019,-,1.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D00145
3252,D06236, Trimethoprim sulfate (USP), Trimethoprim and derivatives,J01EA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(Cc2c(nc(nc2)N)N)cc(c(c(c1)OC)OC)OC,290.318,2.42,79.7698,105.51,25,2,7,IEDVJHCEMCRBQM-UHFFFAOYSA-N,C14H18N4O3,COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",-6.7411,-5.1376,-5.1325,-5.1084,-5.0934,-4.8346,2.1152,2.343,2.5275,3.4622,3.4649,D06236_J01EA01,c0040020000000400a004600880200000000004000001200000000800000040010004200400880200004000c00000000000a22400000480005000002000001000c800c0001000201000000200240000000b000400400002840080800000140000008000100a00442004008000810000210060908880100200800004203000008,0000000050b021,020002080000000000000000000000010000000000009000000000000000000000000600403800,0000000120001000819008130202816154f1f3fc1f,0,12,28,0,0,5,39,40,-8.905,0.191,0,0.0,0.05480016,-,1.2019,-,1.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D06236
3253,D08644, Trimethoprim lactate, Trimethoprim and derivatives,J01EA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(Cc2c(nc(nc2)N)N)cc(c(c(c1)OC)OC)OC,290.318,2.42,79.7698,105.51,25,2,7,IEDVJHCEMCRBQM-UHFFFAOYSA-N,C14H18N4O3,COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",-6.7976,-5.1370000000000005,-5.1252,-5.1193,-5.0858,-4.8165,2.1184,2.3457,2.5274,3.4592,3.4637,D08644_J01EA01,c0040020000000400a004600880200000000004000001200000000800000040010004200400880200004000c00000000000a22400000480005000002000001000c800c0001000201000000200240000000b000400400002840080800000140000008000100a00442004008000810000210060908880100200800004203000008,0000000050b021,020002080000000000000000000000010000000000009000000000000000000000000600403800,0000000120001000819008130202816154f1f3fc1f,0,12,28,0,0,5,39,40,-8.907,0.265,0,1.0,0.045681462,-,1.2019,-,1.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D08644
3254,D07238, Brodimoprim (INN), Trimethoprim and derivatives,J01EA02,ANTIINFECTIVES FOR SYSTEMIC USE,n1c(ncc(c1N)Cc1cc(c(c(c1)OC)Br)OC)N,339.18800000000005,3.1739,80.9778,96.28,21,2,6,BFCRRLMMHNLSCP-UHFFFAOYSA-N,C13H15BrN4O2,COc1cc(Cc2cnc(nc2N)N)cc(c1Br)OC,"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)",-6.7796,-5.1303,-5.122999999999999,-5.1179,-5.0805,-4.8169,2.1127,2.3395,2.5224,3.4617,3.4647,D07238_J01EA02,c00400280800004002004600880200000000004000001200000000800000040010004200400880200004000c00000000004a22400000480005040002000001000c000c0001000201010000201200000000b000400400002840080800000140000008000100a00042004008000810000210060908880100200880004203400008,0000000050b021,020002080000000000000000000000010000000000109000000000000000000000000600403800,0000000120201000019048130206816174e1f1fc1f,0,12,24,0,0,4,35,36,-9.009,0.05,0,2.0,0.17715843,+,0.4789,-,0.4789,https://www.genome.jp/dbget-bin/www_bget?dr:D07238
3255,D08337, Iclaprim (USAN/INN), Trimethoprim and derivatives,J01EA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(Cc2c(nc(nc2)N)N)cc(c(c2c1C=C[C@H](O2)C1CC1)OC)OC,354.403,3.5956,100.054,105.51,29,2,7,HWJPWWYTGBZDEG-AWEZNQCLSA-N,C19H22N4O3,COc1cc(Cc2cnc(nc2N)N)c2c(c1OC)OC(C=C2)C1CC1,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1",-6.7601,-5.1309,-5.1294,-5.1111,-5.1003,-4.8223,2.1181,2.3403,2.5198,3.4614,3.4668,D08337_J01EA03,d0050120000000440b01468088034502000400c00060520000000080001004011000420061c880210004000c00001400010a22401c00481005800022000401000ea00c0203040211800020210240820600b01040040000684008180004014004000c000180a004c200400802081020221007290888030020280000430300090c,0000000050b021,160002080000000000000000000000010000000000009000000000000000000000004640433804,0000200120001021819008131603816154e1f7fc1f,0,12,38,1,0,5,48,51,-8.782,-0.387,1,1.0,0.35136961899999997,+,1.7272,-,1.7272,https://www.genome.jp/dbget-bin/www_bget?dr:D08337
3256,D08563, Iclaprim mesylate (USAN), Trimethoprim and derivatives,J01EA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(Cc2c(nc(nc2)N)N)cc(c(c2c1C=C[C@H](O2)C1CC1)OC)OC,354.403,3.5956,100.054,105.51,29,2,7,HWJPWWYTGBZDEG-AWEZNQCLSA-N,C19H22N4O3,COc1cc(Cc2cnc(nc2N)N)c2c(c1OC)OC(C=C2)C1CC1,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1",-6.7599,-5.1331,-5.1281,-5.1167,-5.0861,-4.8319,2.1204,2.344,2.5216,3.4560000000000004,3.4731,D08563_J01EA03,d0050120000000440b01468088034502000400c00060520000000080001004011000420061c880210004000c00001400010a22401c00481005800022000401000ea00c0203040211800020210240820600b01040040000684008180004014004000c000180a004c200400802081020221007290888030020280000430300090c,0000000050b021,160002080000000000000000000000010000000000009000000000000000000000004640433804,0000200120001021819008131603816154e1f7fc1f,0,12,38,1,0,5,48,51,-8.781,-0.38799999999999996,1,0.0,0.35136309299999996,+,1.7272,-,1.7272,https://www.genome.jp/dbget-bin/www_bget?dr:D08563
3257,D01526, Sulfisomidine (JAN), Short-acting sulfonamides,J01EB01,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1cc(nc(n1)C)C)N,278.33,3.2114,73.4821,106.35,20,2,6,YZMCKZRAOLZXAZ-UHFFFAOYSA-N,C12H14N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C,"InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.3611,-9.3456,-9.2684,-5.1042,-5.1031,-4.4858,2.4155,2.733,2.7986,2.9431,3.9079,D01526_J01EB01,e000010000000040000046200e0400044c10000800002000000000000002040008014008440084200018201a000000c00160200000004000000000020028000404002c0040102a80018010000004040000980060042000004008000080010010000800000090000000400000320000010006bc18020100010028800016000000,0000000000b021,010040080000000000000000000000010000000000009000000024000000000000000640403800,000000802100449e1591892023829009d62159e81f,0,12,20,2,0,3,33,34,-9.441,-1.209,0,,0.072392508,+,0.5687,-,0.5687,https://www.genome.jp/dbget-bin/www_bget?dr:D01526
3258,D02436, Sulfamethazine (USP), Short-acting sulfonamides,J01EB03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2nc(cc(n2)C)C)ccc(cc1)N,278.33,3.2114,73.4821,106.35,20,2,6,ASWVTGNCAZCNNR-UHFFFAOYSA-N,C12H14N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.401,-9.3759,-9.3285,-6.4138,-5.4893,-5.4811,2.7424,2.8423,2.8947,2.9533,3.9219,D02436_J01EB03,e000010000000040000046200c0400004c00000400002000000000010000000008014008440880200010200e000000c0016020000000400000000002002000000c002c0040002280010010000000000000880060042000004008000080010000000000000020000000400000160000010006b400000100010028880012000000,0000000000b021,010040080000000000000000000000000000000000009000000024000000000000000640403800,000000810100449e1591892023829009d62159e81f,0,12,20,2,0,3,33,34,-9.361,-1.161,0,0.0,0.078887835,+,0.5672,-,0.5672,https://www.genome.jp/dbget-bin/www_bget?dr:D02436
3259,D08539, Sulfadimidine sodium, Short-acting sulfonamides,J01EB03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2nc(cc(n2)C)C)ccc(cc1)N,278.33,3.2114,73.4821,106.35,19,2,6,ASWVTGNCAZCNNR-UHFFFAOYSA-N,C12H14N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.4212,-9.3678,-9.3245,-6.4214,-5.4907,-5.4806,2.7488,2.8414,2.8908,2.957,3.9286,D08539_J01EB03,e000010000000040000046200c0400004c00000400002000000000010000000008014008440880200010200e000000c0016020000000400000000002002000000c002c0040002280010010000000000000880060042000004008000080010000000000000020000000400000160000010006b400000100010028880012000000,0000000000b021,010040080000000000000000000000000000000000009000000024000000000000000640403800,000000810100449e1591892023829009d62159e81f,0,12,20,2,0,3,33,34,-9.02,-6.954,0,0.0,0.020333665,+,0.5814,-,0.5814,https://www.genome.jp/dbget-bin/www_bget?dr:D08539
3260,D02434, Sulfapyridine (USP/INN), Short-acting sulfonamides,J01EB04,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1ccccn1)N,249.28900000000002,3.1996,65.7551,93.46,16,2,5,GECHUMIMRBOMGK-UHFFFAOYSA-N,C11H11N3O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",-9.3775,-9.3296,-9.2759,-5.1042,-5.102,-4.4892,2.4176,2.7327,2.7987,2.9431,3.9037,D02434_J01EB04,600001000000000000000620080400004c00000480000000000000008000000008006008440884200098200e000000c001602000000060000000000000200000040026004000288001000000000c040000800020042000004008000000000000000000000000000000000000120004000002b000024000010020880012000000,0000000000b021,000040080000000000000000000000010000000000009000000024000000000000000640402800,000000802100449e1511892023821009d62149681f,0,12,15,2,0,3,28,29,-9.382,-1.0959999999999999,0,,0.060036648,+,0.354,-,0.354,https://www.genome.jp/dbget-bin/www_bget?dr:D02434
3261,D00450, Sulfisoxazole (JP17/USP), Short-acting sulfonamides,J01EB05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2onc(c2C)C)ccc(cc1)N,267.30400000000003,3.4094,67.9531,106.6,18,2,6,NHUHCSRWZMLRLA-UHFFFAOYSA-N,C11H13N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",-9.3908,-9.3155,-8.5721,-5.1076,-5.1055,-4.178999999999999,1.4199,2.3299,2.406,2.5258,2.6089,D00450_J01EB05,604001400000000080010e20060400104d008008200040000000100000001400880048084000842000080018202080c0006020000000400000000002002202048410040040302a80411020800004040000804860042000004028000000820200800000200000000000001000110000001802b02222091a150020800012000000,0000000000b021,01004008000000000000000000000000000000000000b000000024000000000000000640403800,000000800100449f55c18da921a29009d6a17ae81f,0,11,19,2,0,3,31,32,-9.48,-1.452,0,,0.068094499,+,0.5501,-,0.5501,https://www.genome.jp/dbget-bin/www_bget?dr:D00450
3262,D00450, Sulfisoxazole (JP17/USP), Sulfonamides,S01AB02,SENSORY ORGANS,c1(S(=O)(=O)Nc2onc(c2C)C)ccc(cc1)N,267.30400000000003,3.4094,67.9531,106.6,18,2,6,NHUHCSRWZMLRLA-UHFFFAOYSA-N,C11H13N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",-9.3698,-9.3387,-8.6152,-5.1082,-5.1082,-4.1537,1.3876,2.2928,2.3968,2.5468,2.6075,D00450_S01AB02,604001400000000080010e20060400104d008008200040000000100000001400880048084000842000080018202080c0006020000000400000000002002202048410040040302a80411020800004040000804860042000004028000000820200800000200000000000001000110000001802b02222091a150020800012000000,0000000000b021,01004008000000000000000000000000000000000000b000000024000000000000000640403800,000000800100449f55c18da921a29009d6a17ae81f,0,11,19,2,0,3,31,32,-9.48,-1.452,0,,0.068094499,+,0.5501,-,0.5501,https://www.genome.jp/dbget-bin/www_bget?dr:D00450
3263,D05956, Sulfisoxazole acetyl (USP), Short-acting sulfonamides,J01EB05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)N(c2onc(c2C)C)C(=O)C)ccc(cc1)N,309.341,3.2774,77.8614,114.88,21,1,7,JFNWFXVFBDDWCX-UHFFFAOYSA-N,C13H15N3O4S,Nc1ccc(cc1)S(=O)(=O)N(c1onc(c1C)C)C(=O)C,"InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",-9.3608,-9.3126,-6.3552,-5.1075,-5.1031,-4.9951,1.8256,1.8896,1.9025,2.3296,2.417,D05956_J01EB05,604201400000008081010e2006040010cd10810a3000400004001000000014029800480840408420000e0018202090c0006020000000400400000002002206068410040040302a8041103080008404000080486004a028005028000000820200801008200000000040801000110008051806b02322091a750020800012200008,0400000000b021,01004008000000000000800000000000000000000000b000000020000000000000000640403801,000000800100449f45c18da921a2900bd2b97aea1f,0,11,23,3,0,4,36,37,-9.216000000000001,-1.51,0,-1.0,0.031396258999999996,+,0.7844,-,0.7844,https://www.genome.jp/dbget-bin/www_bget?dr:D05956
3264,D05956, Sulfisoxazole acetyl (USP), Sulfonamides,S01AB02,SENSORY ORGANS,c1(S(=O)(=O)N(c2onc(c2C)C)C(=O)C)ccc(cc1)N,309.341,3.2774,77.8614,114.88,21,1,7,JFNWFXVFBDDWCX-UHFFFAOYSA-N,C13H15N3O4S,Nc1ccc(cc1)S(=O)(=O)N(c1onc(c1C)C)C(=O)C,"InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",-9.3593,-9.3073,-6.3911,-5.1057,-5.1054,-4.9923,1.829,1.8969999999999998,1.9024,2.2935,2.4345,D05956_S01AB02,604201400000008081010e2006040010cd10810a3000400004001000000014029800480840408420000e0018202090c0006020000000400400000002002206068410040040302a8041103080008404000080486004a028005028000000820200801008200000000040801000110008051806b02322091a750020800012200008,0400000000b021,01004008000000000000800000000000000000000000b000000020000000000000000640403801,000000800100449f45c18da921a2900bd2b97aea1f,0,11,23,3,0,4,36,37,-9.216000000000001,-1.51,0,-1.0,0.031396258999999996,+,0.7844,-,0.7844,https://www.genome.jp/dbget-bin/www_bget?dr:D05956
3265,D05957, Sulfisoxazole diolamine (USAN), Short-acting sulfonamides,J01EB05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2onc(c2C)C)ccc(cc1)N,267.30400000000003,3.4094,67.9531,106.6,18,2,6,NHUHCSRWZMLRLA-UHFFFAOYSA-N,C11H13N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",-9.3665,-9.3345,-8.581,-5.1055,-5.1029,-4.1759,1.3923,2.3036,2.4172,2.5243,2.6187,D05957_J01EB05,604001400000000080010e20060400104d008008200040000000100000001400880048084000842000080018202080c0006020000000400000000002002202048410040040302a80411020800004040000804860042000004028000000820200800000200000000000001000110000001802b02222091a150020800012000000,0000000000b021,01004008000000000000000000000000000000000000b000000024000000000000000640403800,000000800100449f55c18da921a29009d6a17ae81f,0,11,19,2,0,3,31,32,-9.476,-1.4480000000000002,0,0.0,0.06802454599999999,+,0.5501,-,0.5501,https://www.genome.jp/dbget-bin/www_bget?dr:D05957
3266,D05957, Sulfisoxazole diolamine (USAN), Sulfonamides,S01AB02,SENSORY ORGANS,c1(S(=O)(=O)Nc2onc(c2C)C)ccc(cc1)N,267.30400000000003,3.4094,67.9531,106.6,18,2,6,NHUHCSRWZMLRLA-UHFFFAOYSA-N,C11H13N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",-9.3494,-9.3452,-8.588,-5.105,-5.1037,-4.1768,1.4009,2.3266,2.4049,2.524,2.6134,D05957_S01AB02,604001400000000080010e20060400104d008008200040000000100000001400880048084000842000080018202080c0006020000000400000000002002202048410040040302a80411020800004040000804860042000004028000000820200800000200000000000001000110000001802b02222091a150020800012000000,0000000000b021,01004008000000000000000000000000000000000000b000000024000000000000000640403800,000000800100449f55c18da921a29009d6a17ae81f,0,11,19,2,0,3,31,32,-9.476,-1.4480000000000002,0,0.0,0.06802454599999999,+,0.5501,-,0.5501,https://www.genome.jp/dbget-bin/www_bget?dr:D05957
3267,D07239, Sulfathiourea (INN), Short-acting sulfonamides,J01EB08,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)NC(=S)N)N,231.295,2.5439,57.2405,138.68,15,3,6,UEMLYRZWLVXWRU-UHFFFAOYSA-N,C7H9N3O2S2,NC(=S)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)",-9.9647,-9.3755,-9.3386,-5.7651,-5.5659,-5.3796,2.8453,2.9382,2.9777,3.8691,3.8785,D07239_J01EB08,680001000000000000000620000400004c000000000000000000000000000000080040080000002000000108002800c00062000000004000000000020028000000000000400020804100000000000000008000a004200000400800000000000000200000800000000000000010000000000ab002000000010020800012000000,0000000000b021,000040080000000000000000000000000040000000000000000020000000000000000240402800,000000800144449e1411892021821008d62048681f,0,6,14,3,0,3,23,23,-8.533999999999999,-1.493,0,-1.0,0.0384694,-,1.0537,-,1.0537,https://www.genome.jp/dbget-bin/www_bget?dr:D07239
3268,D00447, Sulfamethoxazole (JP17/USP/INN), Intermediate-acting sulfonamides,J01EC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2cc(on2)C)ccc(cc1)N,253.278,3.1010000000000004,62.9871,106.6,16,2,6,JLKIGFTWXXRPMT-UHFFFAOYSA-N,C10H11N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",-9.3503,-9.3132,-8.6256,-5.1046,-5.1044,-4.1793,1.7525,2.3963,2.5468,2.5934,3.4548,D00447_J01EC01,6000014000000040000006200a0400004d00410820000002000000000000040088004808400084a00018002a002080c0016010100000400000040002002400000600040040102880411000000006040000800060042000004008000000010600002000000000000040004000120000080002b04202011a010020800012000010,0000000000b021,01004008000000000000000000000001000000000000b000000024000000000000000640403800,000000802100449f55118de021829009d621cae81f,0,11,16,2,0,3,28,29,-9.461,-1.3,0,1.0,0.029834742,+,0.3957,-,0.3957,https://www.genome.jp/dbget-bin/www_bget?dr:D00447
3269,D00587, Sulfadiazine (JAN/USP/INN), Intermediate-acting sulfonamides,J01EC02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ncccn2)ccc(cc1)N,250.27700000000002,2.5946,63.5501,106.35,16,2,6,SEEPANYCNGTZFQ-UHFFFAOYSA-N,C10H10N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",-9.4461,-9.3547,-9.3385,-6.4246,-5.477,-5.4735,2.7549,2.8512,2.8908,2.9478,3.9325,D00587_J01EC02,e00001000000004000004620080400004c00000400000000000000000000000008004008440880200010200e000000c00160200000004000000000000020000004002c0040002080010000000000000000800020042000004008000000010000000000000020000000400000120000000006b000000000010020880012000000,0000000000b021,000040080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591892023829009d62149681f,0,12,14,2,0,3,27,28,-9.391,-1.219,0,0.0,0.035714399,+,0.4524,-,0.4524,https://www.genome.jp/dbget-bin/www_bget?dr:D00587
3270,D05949, Sulfadiazine sodium (USP), Intermediate-acting sulfonamides,J01EC02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ncccn2)ccc(cc1)N,250.27700000000002,2.5946,63.5501,106.35,15,2,6,SEEPANYCNGTZFQ-UHFFFAOYSA-N,C10H10N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",-9.4352,-9.35,-9.3438,-6.4209,-5.4779,-5.4733,2.7514,2.8492,2.8902,2.9464,3.9315,D05949_J01EC02,e00001000000004000004620080400004c00000400000000000000000000000008004008440880200010200e000000c00160200000004000000000000020000004002c0040002080010000000000000000800020042000004008000000010000000000000020000000400000120000000006b000000000010020880012000000,0000000000b021,000040080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591892023829009d62149681f,0,12,14,2,0,3,27,28,-9.1,-7.138999999999999,0,0.0,0.008585396,+,0.4485,-,0.4485,https://www.genome.jp/dbget-bin/www_bget?dr:D05949
3271,D02516, Sulfamoxole (USAN/INN), Intermediate-acting sulfonamides,J01EC03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2oc(c(n2)C)C)ccc(cc1)N,267.30400000000003,3.4094,67.9531,106.6,18,2,6,CYFLXLSBHQBMFT-UHFFFAOYSA-N,C11H13N3O3S,Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",-9.3635,-9.3436,-8.6786,-5.1045,-5.1044,-4.4893,2.4066,2.4185,2.5352,2.6149,3.9888,D02516_J01EC03,600003000000040080010e200c0400004c00001c0000600400400020000004000800500c048800200810200a000001c4016020400000400000000002002000000600240040002280010020000004008002800860142000005408040080430001400000000104000840000000130000011802b00080000a011020880012000000,0000000000b021,01004008000000000000000000000000000000000000b000000024000000000000000640403800,000000801100449f15118de121a29009d6a1fae81f,0,11,19,2,0,3,31,32,-8.898,-1.375,0,,0.0607697,-,0.5611,-,0.5611,https://www.genome.jp/dbget-bin/www_bget?dr:D02516
3272,D01142, Sulfadimethoxine (JAN/USP), Long-acting sulfonamides,J01ED01,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1cc(nc(n1)OC)OC)N,310.329,2.6118,76.5341,124.81,22,2,8,ZZORFUFYDOWNEF-UHFFFAOYSA-N,C12H14N4O4S,COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.4044,-9.3993,-9.2947,-5.1055,-5.1025,-4.6888,2.7948,2.8371,2.9613,3.2032,3.8907,D01142_J01ED01,e000210c0040004000004620080600064c00000800000200000000000002000008004008440084200018201a000002c0016024400000400008100000002000140c003c004002a8a101000008000704000090002004200000400800a000030080080800040080000000410000120000800006b8080a0400211820808016400000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640403800,000000803100449e1591893923a29169d6695bf81f,0,12,22,2,0,5,35,36,-9.399,-1.193,0,-1.0,0.029809874,+,0.6163,-,0.6163,https://www.genome.jp/dbget-bin/www_bget?dr:D01142
3273,D08538, Sulfadimethoxine sodium (USP), Long-acting sulfonamides,J01ED01,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1cc(nc(n1)OC)OC)N,310.329,2.6118,76.5341,124.81,21,2,8,ZZORFUFYDOWNEF-UHFFFAOYSA-N,C12H14N4O4S,COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.3781,-9.3271,-9.3045,-5.104,-5.0989,-4.6982,2.7766,2.7994,2.9676,3.3201,3.8965,D08538_J01ED01,e000210c0040004000004620080600064c00000800000200000000000002000008004008440084200018201a000002c0016024400000400008100000002000140c003c004002a8a101000008000704000090002004200000400800a000030080080800040080000000410000120000800006b8080a0400211820808016400000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640403800,000000803100449e1591893923a29169d6695bf81f,0,12,22,2,0,5,35,36,-9.037,-7.045,0,-1.0,0.007905201,+,0.5791,-,0.5791,https://www.genome.jp/dbget-bin/www_bget?dr:D08538
3274,D01216, Sulfalene (USAN), Long-acting sulfonamides,J01ED02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(nccn1)OC)NS(=O)(=O)c1ccc(cc1)N,280.303,2.6032,70.0421,115.58,19,2,7,KXRZBTAEDBELFD-UHFFFAOYSA-N,C11H12N4O3S,COc1nccnc1NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",-9.401,-9.3882,-9.3133,-5.1049,-5.1037,-4.5194,2.4159,2.7661,2.8361,2.9566,3.8883,D01216_J01ED02,e00001040000000000104620080600004c00000400000010000000000004000008804008440800210098200a000002c0016020000000400000040008002008082c4034004000a0c12100000800040400008004200c2000004008000000400000009040000081000004010000520000802006b000040000411c20880212000000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640402800,000000802100449e1551897823a29169d6e16bf81f,0,12,18,2,0,4,31,32,-9.308,-1.199,0,0.0,0.033932969,+,0.4804,-,0.4804,https://www.genome.jp/dbget-bin/www_bget?dr:D01216
3275,D02450, Sulfametomidine (JAN), Long-acting sulfonamides,J01ED03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(NS(=O)(=O)c2ccc(cc2)N)nc(nc(c1)OC)C,294.33,2.9116,75.0081,115.58,21,2,7,QKLSCPPJEVXONT-UHFFFAOYSA-N,C12H14N4O3S,COc1cc(nc(n1)C)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.3495,-9.3487,-9.3232,-5.1029,-5.1024,-4.4879,2.4115,2.7695,2.8156,2.9626,3.917,D02450_J01ED03,e000250800400050000046200c0600044c00000800002200000000000002000008004008440084200018201a000002c0016024000000400008000000002000040c003c0040002a8101000008800404000090006004200000400800a080010090080800000090000000400000320000810006b8180a0400211820808016400000,0000000050b021,010042080000000000000000000004010000000000009000000024000000000000000640403800,000000802100449e1591893823a29169d6615bf81f,0,12,21,2,0,4,34,35,-9.426,-1.234,0,0.0,0.053267539,+,0.541,-,0.541,https://www.genome.jp/dbget-bin/www_bget?dr:D02450
3276,D02517, Sulfameter (USAN), Long-acting sulfonamides,J01ED04,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ncc(cn2)OC)ccc(cc1)N,280.303,2.6032,70.0421,115.58,19,2,7,GPTONYMQFTZPKC-UHFFFAOYSA-N,C11H12N4O3S,COc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",-9.4352,-9.3777,-9.3221,-6.4215,-5.4852,-5.4776,2.7592,2.8494,2.8925,2.9475,3.944,D02517_J01ED04,e00001000000004000004620080600004c00000400000000000200000008100008004008440880200010200e000000c0016020000000400000000000002004000c002c0044002081010000080000000000800420042000004008000000010000000000000020000104400000120000000006b000000000410820880012000000,0000000050b021,000042080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591897023829169d661cbf81f,0,12,18,2,0,4,31,32,-9.375,-1.15,0,0.0,0.032498006,+,0.4762,-,0.4762,https://www.genome.jp/dbget-bin/www_bget?dr:D02517
3277,D02439, Sulfamethoxypyridazine (INN), Long-acting sulfonamides,J01ED05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ccc(nn2)OC)ccc(cc1)N,280.303,2.6032,70.0421,115.58,19,2,7,VLYWMPOKSSWJAL-UHFFFAOYSA-N,C11H12N4O3S,COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",-9.3944,-9.3664,-9.3289,-5.1052,-5.1041,-4.4778,1.636,2.4223,2.7875,2.8228,3.889,D02439_J01ED05,600001000000000000000620080600004c00000000000402400000008048120008004009400884600018400e000004c0016422000000600008480000002000003c4016004000a88101080000064404000080002004200000c008001000000000080010000001080000000000121008040002b0000a0000211820800013000000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640402800,0000008021004c9e1551897823a29169d6614bf81f,0,12,18,2,0,4,31,32,-9.424,-1.203,0,0.0,0.02455961,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D02439
3278,D08540, Sulfamethoxypyridazine sodium salt, Long-acting sulfonamides,J01ED05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ccc(nn2)OC)ccc(cc1)N,280.303,2.6032,70.0421,115.58,19,2,7,VLYWMPOKSSWJAL-UHFFFAOYSA-N,C11H12N4O3S,COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",-9.3721,-9.3386,-9.3328,-5.1067,-5.1053,-4.4942,1.6188,2.4148,2.7674,2.8226,3.9091,D08540_J01ED05,600001000000000000000620080600004c00000000000402400000008048120008004009400884600018400e000004c0016422000000600008480000002000003c4016004000a88101080000064404000080002004200000c008001000000000080010000001080000000000121008040002b0000a0000211820800013000000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640402800,0000008021004c9e1551897823a29169d6614bf81f,0,12,18,2,0,4,31,32,-9.425,-1.2,0,0.0,0.024560975,+,0.4855,-,0.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D08540
3279,D07240, Sulfaperin (INN), Long-acting sulfonamides,J01ED06,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1ncc(cn1)C)N,264.30400000000003,2.903,68.5161,106.35,18,2,6,DZQVFHSCSRACSX-UHFFFAOYSA-N,C11H12N4O2S,Cc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",-9.4087,-9.3759,-9.318,-6.4146,-5.485,-5.473,2.7545,2.8376,2.8897,2.9494,3.9219999999999997,D07240_J01ED06,e00001000000004000004620080400004c00000400000000000000000000040008004008440880200010200e000000c00160204000004000000000020020000004002c0040002080010000000000000000800060042000004008000000010000000000000020000000400000120000001006b000800000010020880012000000,0000000000b021,010040080000000000000000000000000000000000009000000024000000000000000640402800,000000810100449e1591892023829009d62149e81f,0,12,17,2,0,3,30,31,-9.378,-1.196,0,1.0,0.054898139000000006,+,0.4809,-,0.4809,https://www.genome.jp/dbget-bin/www_bget?dr:D07240
3280,D01954, Sulfaphenazole (JAN/INN), Long-acting sulfonamides,J01ED08,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)S(=O)(=O)Nc1n(ncc1)c1ccccc1)N,314.362,3.9903,85.0821,98.39,19,2,6,QWCJHSGMANYXCW-UHFFFAOYSA-N,C15H14N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",-9.3705,-9.3147,-8.5303,-5.1029,-5.0959,-4.4126,1.9438,2.4082,2.5269,2.6099,3.4578,D01954_J01ED08,e004098000000440080046200804000c4c0000000000050200000000000000000800408b400884602098419a000000c0016022000000400000000080002000042c400c004000288001080000000c04000080002004200001c008011000010000001000000001000000400000120008000006b000060000210c22800017000000,0000000000b021,000040080000000000000000000000000000000000009800000024000000000000000640403800,0000008021004cbe15d58da02182900bd6a169681f,0,17,19,2,0,4,36,38,-8.859,-1.3719999999999999,0,,0.09638954699999999,+,0.7252,-,0.7252,https://www.genome.jp/dbget-bin/www_bget?dr:D01954
3281,D01954, Sulfaphenazole (JAN/INN), Sulfonamides,S01AB05,SENSORY ORGANS,c1c(ccc(c1)S(=O)(=O)Nc1n(ncc1)c1ccccc1)N,314.362,3.9903,85.0821,98.39,19,2,6,QWCJHSGMANYXCW-UHFFFAOYSA-N,C15H14N4O2S,Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",-9.3912,-9.3142,-8.4789,-5.1078,-5.1049,-4.4262,1.9532,2.4002,2.5204,2.596,3.5408,D01954_S01AB05,e004098000000440080046200804000c4c0000000000050200000000000000000800408b400884602098419a000000c0016022000000400000000080002000042c400c004000288001080000000c04000080002004200001c008011000010000001000000001000000400000120008000006b000060000210c22800017000000,0000000000b021,000040080000000000000000000000000000000000009800000024000000000000000640403800,0000008021004cbe15d58da02182900bd6a169681f,0,17,19,2,0,4,36,38,-8.859,-1.3719999999999999,0,,0.09638954699999999,+,0.7252,-,0.7252,https://www.genome.jp/dbget-bin/www_bget?dr:D01954
3282,D07241, Sulfamazone (INN), Long-acting sulfonamides,J01ED09,ANTIINFECTIVES FOR SYSTEMIC USE,c1(S(=O)(=O)Nc2ccc(nn2)OC)ccc(cc1)N[C@@H](c1c(=O)n(n(c1C)C)c1ccccc1)S(=O)(=O)O,560.6030000000001,4.3899,139.781,191.27,34,3,13,BGLHAKAJGYLSOX-JOCHJYFZSA-N,C23H24N6O7S2,COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)NC(S(=O)(=O)O)c1c(C)n(n(c1=O)c1ccccc1)C,"InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)/t22-/m1/s1",-9.3679,-9.3309,-9.2607,-8.9337,-8.8662,-8.3658,3.2657,3.9063,3.9609,4.1089,4.6331,D07241_J01ED09,e006018022000640080046308db70004cc08088020008602400880c0804832100800748b400885602898411e820016c2016422810009688808cb8082082084e03c603e204008a88103086c0006fc8400c880006004202003cc08019004010006081290000a410c0002420000121008051006f1108a4100215872804c1740000c,0000000050b021,010002000000000000008000200004014003000000009900000026000000000000000640403804,00000080e1c06cbe15d585f823a2916bd6fd7bfa1f,0,23,37,5,0,9,62,65,-5.561,1.206,1,-1.0,0.007221912,+,2.9917,-,2.9917,https://www.genome.jp/dbget-bin/www_bget?dr:D07241
3283,D00285, Co-Trimoxazole (BAN)," Combinations of sulfonamides and trimethoprim, incl. derivatives",J01EE01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(c(c1)OC)OC)OC)Cc1c(nc(nc1)N)N,290.318,2.42,79.7698,105.51,25,2,7,IEDVJHCEMCRBQM-UHFFFAOYSA-N,C14H18N4O3,COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",-6.7428,-5.1407,-5.1298,-5.1075,-5.1023,-4.8395,2.1131,2.3445,2.5296,3.4679,3.469,D00285_J01EE01,c0040020000000400a004600880200000000004000001200000000800000040010004200400880200004000c00000000000a22400000480005000002000001000c800c0001000201000000200240000000b000400400002840080800000140000008000100a00442004008000810000210060908880100200800004203000008,0000000050b021,020002080000000000000000000000010000000000009000000000000000000000000600403800,0000000120001000819008130202816154f1f3fc1f,0,12,28,0,0,5,39,40,-8.907,0.265,0,,0.045687072,-,1.2019,-,1.2019,https://www.genome.jp/dbget-bin/www_bget?dr:D00285
3284,D02420, Acetylspiramycin (JP17), Macrolides,J01FA02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@H](C[C@H]([C@H](/C=C\C=C\C[C@H](OC(=O)C[C@H]([C@@H]1OC)OC(=O)C)C)O[C@@H]1O[C@@H]([C@H](CC1)[NH+](C)C)C)C)CC=O)O)[NH+](C)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)O,887.105,0.0617,231.22099999999998,203.85,93,5,15,ZPCCSZFPOXBNDL-GSCUYFECSA-P,C45H78N2O15++,O=CCC1CC(C)C(C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1CC(C)(O)C(C(O1)C)O)OC)OC(=O)C)C)OC1CCC(C(O1)C)[NH+](C)C,"InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/p+2/b14-13+,17-15-/t25-,26-,27-,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1",-6.1538,-6.0369,-4.8146,-4.6214,-4.5408,-4.4995,2.0475,2.2643,2.3471,2.3649,2.5047,D02420_J01FA02,100a00040000e2240a00040042020000200000b400e2400000000000001400101200000880a04017001a0010200010000180000090a0c031000100004000a2000c902a000c14000000008a02288002140090004000022040a00010010020200040040008003800020100a000c0013cc000078180080510000000040140000500,0d00006c30e005,17e84002048180400000b000000000000000000000000000000000000000000000000477c32a05,00000000000021018202305387c8ace69c7dfffe1d,0,0,138,5,0,13,140,143,-12.642999999999999,-5.098,19,1.0,2.7346e-05,+,8.5127,-,8.5127,https://www.genome.jp/dbget-bin/www_bget?dr:D02420
3285,D01339, Midecamycin (JP17/INN), Macrolides,J01FA03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]1OC)OC(=O)CC)C)O)C)CC=O)O)[NH+](C)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)OC(=O)CC)(C)O,814.9760000000001,1.3503,209.06799999999998,207.25,83,4,15,DMUAPQTXSSNEDD-QALJCMCCSA-O,C41H68NO15+,O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C,"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/p+1/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",-6.0635,-4.8854,-4.5909,-4.3615,-4.3371,-4.2824,1.7952,1.8528,1.9097,2.0906,2.174,D01339_J01FA03,000200040000e2240a00040002020000200000b400e0400000000000001400101200000880a04017001a0010200010000180000090a0c011000100004000a2000c902a000c14000000008a02288002140090004000022000a000100100202000400400080038000001002000c0002cc000078180080510000000040140000500,0d00006c30e005,17e84002048080400000b000000000000000000000000000000000000000000000000477c32a05,000000000000210182023053878886e69c5dfbfe1d,0,0,121,6,0,14,125,127,-10.435,-4.022,16,,0.010267638,+,7.0011,+,7.0011,https://www.genome.jp/dbget-bin/www_bget?dr:D01339
3286,D02186, Oleandomycin phosphate (JAN), Macrolides,J01FA05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12(CO1)C[C@@H]([C@@H]([C@H]([C@H](O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC)[C@H](C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=O)C)O)C)C)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O)C,688.8660000000001,0.4914,177.575,167.18,74,4,12,RZPAKFUAFGMUPI-QESOVKLGSA-O,C35H62NO12+,COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C(=O)C3(CC(C(C2C)OC2OC(C)CC(C2O)[NH+](C)C)C)CO3)C)OC(C1O)C,"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/p+1/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1",-6.0384,-4.6142,-4.5958,-4.5093,-4.3336,-3.3726,1.9036,1.9637,2.0019,2.0034,2.1669,D02186_J01FA05,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000000800000a2000890280000000000000088022880001400d0004000002000a000000100002000000000080028000000002000c0003c8000070100000110000000000140000100,1500002c30e005,07a84002040081400000a000000000000000000000000000000000000000000000002c37c02a05,00802000000021018202305393d98c669d5dfbfb1d,0,0,111,2,0,6,110,113,-11.8,-4.115,18,0.0,0.00047716699999999997,+,5.3937,-,5.3937,https://www.genome.jp/dbget-bin/www_bget?dr:D02186
3287,D01710, Roxithromycin (JP17/USAN/INN), Macrolides,J01FA06,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@H](/C(=N/OCOCCOC)/[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,838.054,0.7925,216.58599999999998,218.09,93,6,16,RXZBMPWDPOLZGW-HEWSMUCTSA-O,C41H77N2O15+,COCCOCON=C1C(C)CC(C)(O)C(OC2OC(C)CC(C2O)[NH+](C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/p+1/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",-6.0987,-4.6061,-4.5733,-4.1364,-3.8280000000000003,-3.1871,2.0328,2.1089,2.2847,2.3548,2.478,D01710_J01FA06,002200000000ea000a00040000020000200000740000004804000000200400001000000880000007008a0110200030200100000200a4c011000000001000a20018902a000800000000008802288000140090004000002100b100000140a03000002000084029000000002000c0083c80000f8100000590020000000141000100,0520006c30e005,07e840020401c0400000a000000000000000000000000000000000000000000000000437c02a05,0000800800002101c2223077b3d8ee6e1d7fffff1d,0,0,135,2,0,13,135,137,-11.373,-3.779,18,,0.005471045999999999,+,7.9631,-,7.9631,https://www.genome.jp/dbget-bin/www_bget?dr:D01710
3288,D01235, Josamycin (JP17/USAN/INN), Macrolides,J01FA07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]1OC)OC(=O)C)C)O)C)CC=O)O)[NH+](C)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)OC(=O)CC(C)C)(C)O,829.003,1.5963,213.875,207.25,85,4,15,XJSFLOJWULLJQS-NGVXBBESSA-O,C42H70NO15+,O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/p+1/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",-6.0378,-4.8455,-4.7531,-4.5925,-4.5378,-4.4297,1.8915,1.9182,1.9583,2.1506,2.5434,D01235_J01FA07,000200040000e2240a00040002020000200000b400e0400000000000001400101200000880a04017001a0010200010000180000090a0c011000100004000a2000c902a000c14000000008a02288002140090004000022000a000100100202000400400080038000001002000c0002cc000078180080510000000040140000500,0d00006c30e005,17e84002048080400000b000000000000000000000000000000000000000000000000477c32a05,000000000000210182023053878884e69c5dfbfe1d,0,0,124,6,0,14,128,130,-10.388,-4.119,16,,0.022433872999999997,+,7.497000000000001,+,7.497000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01235
3289,D05351, Josamycin propionate (JP17), Macrolides,J01FA07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]1OC)OC(=O)C)C)OC(=O)CC)C)CC=O)O)[NH+](C)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)OC(=O)CC(C)C)(C)O,885.066,2.5572,228.419,213.32,90,3,16,NVBREHSOJSEKBQ-ZQMZUEOGSA-O,C45H74NO16+,O=CCC1CC(C)C(C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C)OC(=O)CC,"InChI=1S/C45H73NO16/c1-13-34(49)59-32-18-16-14-15-17-27(5)55-36(51)23-33(58-30(8)48)42(54-12)41(31(19-20-47)22-26(32)4)62-44-39(52)38(46(10)11)40(28(6)57-44)61-37-24-45(9,53)43(29(7)56-37)60-35(50)21-25(2)3/h14-16,18,20,25-29,31-33,37-44,52-53H,13,17,19,21-24H2,1-12H3/p+1/b15-14+,18-16+/t26-,27-,28-,29+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1",-6.096,-4.4906,-4.4752,-4.4534,-4.4375,-4.4218,1.9140000000000001,1.9144,1.9753,2.2247,2.4961,D05351_J01FA07,100280040000e2240a00040042020000200000b400e0400000000000001400101200000880a04017001a0010200010000180000090a0c031000100004000a2000c902a000c14000000008a02288002140090004000022040a000100100202000400400080038000201002000c0003cc000078180080510000000040140000500,0d00006c30e005,17e84002048080400000b000000000000000000000000000000000000000000000000477c32a05,000000000000210182023051878886e69c5dfbfe1d,0,0,131,7,0,17,136,138,-10.469000000000001,-4.12,16,1.0,0.022234699,+,9.1437,+,9.1437,https://www.genome.jp/dbget-bin/www_bget?dr:D05351
3290,D01322, Troleandomycin (USP/INN), Macrolides,J01FA08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12(CO1)C[C@@H]([C@@H]([C@H]([C@H](O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)OC(=O)C)OC)[C@H](C(=O)O[C@@H]([C@@H]([C@H]([C@H](C2=O)C)OC(=O)C)C)C)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)OC(=O)C)C,814.9760000000001,2.2038,206.787,185.39,83,1,15,LQCLVBQBTUVCEQ-GSELTXNRSA-O,C41H68NO15+,COC1CC(OC(C1OC(=O)C)C)OC1C(C)C(OC2OC(C)CC(C2OC(=O)C)[NH+](C)C)C(C)CC2(OC2)C(=O)C(C(C(C(OC(=O)C1C)C)C)OC(=O)C)C,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/p+1/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34+,35-,36-,37+,40-,41+/m0/s1",-6.0105,-4.6947,-4.5667,-4.5286,-4.4405,-4.4326,1.7331,1.8204,1.8448,2.1929,2.4396,D01322_J01FA08,000200000000e2000a00040000020000200000340080000000000000000400001000000880000017000a0010200010000100000000a0c011000000800000a6000890280008100000000088022880001400d0004000002000a000000100202000400000080028000000002000c0003c8000078180080710000000000140000100,1500000030e005,07804002040081400000b000000000000000000000000000000000000000000000002c37c02a05,00802000000001018202305193d98c669959fbfb1d,0,0,123,5,0,12,125,128,-11.753,-4.137,18,,0.006063278,+,9.6038,-,9.6038,https://www.genome.jp/dbget-bin/www_bget?dr:D01322
3291,D00276, Clarithromycin (JP17/USP/INN), Macrolides,J01FA09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(C)OC)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,748.961,1.0226,195.34799999999998,184.11,83,5,13,AGOYDEPGAOXOCK-KCBOHYOISA-O,C38H70NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)OC,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/p+1/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.0463,-4.5853,-4.5825,-4.4862,-4.3072,-3.2168,1.9084,1.9753,2.0448,2.0509,2.155,D00276_J01FA09,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000100000000a20008902a000000000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000078100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,122,2,0,8,122,124,-11.868,-3.9419999999999997,18,,0.0006315,+,5.8621,-,5.8621,https://www.genome.jp/dbget-bin/www_bget?dr:D00276
3292,D07710, Clarithromycin lactobionate, Macrolides,J01FA09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@](C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)C)(C)OC)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,748.961,1.0226,195.34799999999998,184.11,83,5,13,AGOYDEPGAOXOCK-KCBOHYOISA-O,C38H70NO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)OC,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/p+1/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.087000000000001,-4.8156,-4.4645,-4.3427,-4.292,-3.1412,2.0266,2.0601,2.2348,2.3687,2.4141,D07710_J01FA09,000200000000e2000a00040000020000200000340000000000000000000400001000000880000007000a0010200010000100000000a0c011000100000000a20008902a000000000000008802288000140090004000002000a000000100202000400000080028000000002000c0003c8000078100000510000000000140000500,1500006c30e005,07e84002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000021018202305793c88e669c5dfbfe1d,0,0,122,2,0,8,122,124,-11.868,-3.945,18,1.0,0.000408769,+,5.8621,-,5.8621,https://www.genome.jp/dbget-bin/www_bget?dr:D07710
3293,D07486, Azithromycin (INN), Macrolides,J01FA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.1241,-6.0195,-4.683,-4.6376,-4.6349,-4.5888,2.2234,2.4301,2.4375,2.8478,3.4923,D07486_J01FA10,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.614,-5.218999999999999,19,1.0,3.61703e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D07486
3294,D07486, Azithromycin (INN), Antibiotics,S01AA26,SENSORY ORGANS,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.0187,-6.0086,-4.5994,-4.5945,-4.5862,-4.5759,1.9939,2.177,2.2875,2.4063,2.4596,D07486_S01AA26,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.614,-5.218999999999999,19,1.0,3.61703e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D07486
3295,D02134, Azithromycin hydrate (JP17), Macrolides,J01FA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.0445,-5.9909,-4.7935,-4.6211,-4.6012,-4.5895,2.1786,2.2030000000000003,2.2603,2.3881,2.4738,D02134_J01FA10,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.6,-5.23,19,1.0,3.6159500000000003e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D02134
3296,D02134, Azithromycin hydrate (JP17), Antibiotics,S01AA26,SENSORY ORGANS,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.026,-6.0161,-4.5985,-4.5898,-4.5755,-4.5724,1.9842,2.0846,2.1758,2.364,2.4687,D02134_S01AA26,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.6,-5.23,19,1.0,3.6159500000000003e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D02134
3297,D06390, Azithromycin (USP), Macrolides,J01FA10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.0887,-6.0681,-4.8331,-4.6665,-4.6405,-4.5393,2.7431,2.7612,2.7855,2.8666,3.2347,D06390_J01FA10,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.600999999999999,-5.229,19,2.0,3.69372e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D06390
3298,D06390, Azithromycin (USP), Antibiotics,S01AA26,SENSORY ORGANS,[C@H]1([C@@H]([C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(OC)C)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([N@H+](C[C@@H](C[C@@]1(C)O)C)C)C)O)(C)O)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,751.0,0.6357,202.998,182.48,86,7,12,MQTOSJVFKKJCRP-BFOYWQSASA-P,C38H74N2O12++,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C[NH+](C(C(C1(C)O)O)C)C)C)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22-,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",-6.0347,-5.9985,-4.6054,-4.602,-4.5994,-4.5713,2.213,2.4865,2.4942,2.5175,2.5201,D06390_S01AA26,002a00000000e2000a00040000020000200000340002000000000000010400001000100880000007100a0010200010000102000000a0c011000000000000a21008902a0000000800000088032a8000140090014000002000a000000100002000000000280028000000002000c0003c8000070100000510000000000140000100,0500006c30e005,07e84002040180400000a000000000000000000000000000000000000000000000000437c02a05,0000000000003101820632578bc88e671c7dfbff1d,0,0,127,1,0,7,126,128,-13.600999999999999,-5.229,19,2.0,3.69372e-07,+,5.6425,-,5.6425,https://www.genome.jp/dbget-bin/www_bget?dr:D06390
3299,D01636, Midecamycin acetate (JP17), Macrolides,J01FA11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]1OC)OC(=O)CC)C)OC(=O)C)C)CC=O)O)[NH+](C)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)OC(=O)CC)(C)OC(=O)C,899.05,2.4919,228.543,219.39,89,2,17,GQNZGCARKRHPOH-RQIKCTSVSA-O,C45H72NO17+,O=CCC1CC(C)C(C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1OC(C)C(C(C1)(C)OC(=O)C)OC(=O)CC)OC)OC(=O)CC)C)OC(=O)C,"InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/p+1/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1",-4.9727,-4.937,-4.8067,-4.6909,-4.4331,-4.421,2.7332,2.7598,2.7798,2.7809,3.3338,D01636_J01FA11,100280040000e2240a00040042020000200000b400e0400000000000001400101200000880a04017001a0010200010000180000090a0c031000100004000a2000c902a000c14000000008a02288002140090004000022040a000100100202000400400080038000201002000c0003cc000078180080510000000040140000500,0d00002c30e005,17a84002048080400000b000000000000000000000000000000000000000000000000477c32a05,000000000000210182023051078886e69c5dfbfe1d,0,0,129,8,0,18,135,137,-11.388,-4.011,16,1.0,0.041951273,+,10.1858,+,10.1858,https://www.genome.jp/dbget-bin/www_bget?dr:D01636
3300,D01897, Rokitamycin (JP17/INN), Macrolides,J01FA12,ANTIINFECTIVES FOR SYSTEMIC USE,O(C(=O)CC)[C@@]1(C[C@H](O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C)O[C@H]2[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]2OC)O)C)O)C)CC=O)O)[NH+](C)C)O[C@H]([C@@H]1OC(=O)CCC)C)C,829.003,1.7404,213.875,207.25,85,4,15,VYWWNRMSAPEJLS-MDWYKHENSA-O,C42H70NO15+,O=CCC1CC(C)C(O)C=CC=CCC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)[NH+](C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,"InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/p+1/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",-6.0398,-4.6003,-4.5741,-4.4872,-4.4697,-4.2780000000000005,1.855,1.8949,1.9357,2.0981,2.3252,D01897_J01FA12,000200040000e2240a00040002020000200000b40060400000000000001400101200000880a04017001a0010200010000180000090a0c011000100004000a2000c902a000c14000000008a02288002140090004000022000a000100100202000400400080038000001000000c00028c000078180080510000000040140000500,0d00002c30e005,17a84002048080400000b000000000000000000000000000000000000000000000000477c32a05,0000000000002101820230538788a6e69c5dfffe1d,0,0,124,6,0,15,128,130,-10.24,-4.1610000000000005,16,-1.0,0.011182818,+,6.9949,+,6.9949,https://www.genome.jp/dbget-bin/www_bget?dr:D01897
3301,D03865, Dirithromycin (USP/INN), Macrolides,J01FA13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(OC(=O)[C@@H]([C@@H]([C@@H]([C@H]([C@](C[C@H]([C@H]2[C@H](C)[C@H]([C@]1(C)O)O[C@@H]([NH2+]2)COCCOC)C)(C)O)O[C@@H]1O[C@@H](C[C@@H]([C@H]1O)[NH+](C)C)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC,837.09,1.3276,222.111,202.11,94,6,14,WLOHNSSYAXHWNR-UVPJXPSTSA-P,C42H80N2O14++,COCCOCC1[NH2+]C2C(C)CC(C)(O)C(OC3OC(C)CC(C3O)[NH+](C)C)C(C)C(C(C(=O)OC(C(C(O1)C2C)(C)O)CC)C)OC1OC(C)C(C(C1)(C)OC)O,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/p+2/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,39+,40-,41-,42-/m1/s1",-7.0548,-6.0462,-5.6333,-5.5857,-4.6223,-4.526,2.0451,2.4073,2.5913,3.1097,3.2717,D03865_J01FA13,000a00000000e2800a00040000020000610020340000000002100000010400001000100880000017500a0010200010000102000000a8c011000008000000a21008903b0008100800000188032a8000140090014000002000a000000100222000400000a80028000000802008c0003c8000070180000510000100400140000100,0500006c30e005,07e84002040080400000a000000000000000000000000000000000000000000000008437c02a05,00000000000021018202385f93f9be671d7fffff1d,0,0,140,1,0,12,138,141,-13.762,-5.126,20,,1.1282e-05,+,7.652,-,7.652,https://www.genome.jp/dbget-bin/www_bget?dr:D03865
3302,D07242, Flurithromycin (INN), Macrolides,J01FA14,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@](C[C@@](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]1C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(C)O)O)C)(F)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O,752.925,0.4606,190.707,195.11,80,6,13,XOEUHCONYHZURQ-HNUBZJOYSA-O,C37H67FNO13+,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C(C1(C)O)O)C)(C)F)(C)O,"InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/p+1/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1",-6.0721,-4.6222,-4.5842,-4.5134,-4.1572,-3.1873,1.8423,1.9039,1.9079,1.9939,2.1861,D07242_J01FA14,000200000000e2000a00040a0002000020000034a000000000000000000400001000100880000007000a0010200010000500000000a0c011000000000000a20008902a000000000000008802288000140090004000002000a080000100002000000000080028000000002000c0143c8000070100000510000000000140000500,1500006c30e005,07e94002040181400000a000000000000000000000000000000000000000000000000437c02a05,00000000000221018202705793cc8e66bc5dfbfe1d,1,0,119,2,0,7,119,121,-12.059000000000001,-3.906,18,1.0,0.000248829,-,6.8111,-,6.8111,https://www.genome.jp/dbget-bin/www_bget?dr:D07242
3303,D01078, Telithromycin (JAN/USAN/INN), Macrolides,J01FA15,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ncn(c1)CCCCN1[C@@H]2[C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O[C@@H]([C@]2(OC1=O)C)CC)C)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O)(OC)C)C)C)c1cnccc1,813.012,3.45,222.63299999999998,173.05,79,2,14,LJVAJPDWBABPEJ-LGODPTEJSA-O,C43H66N5O10+,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(C2O)[NH+](C)C)C(CC(C(=O)C(C2C1(C)OC(=O)N2CCCCn1cnc(c1)c1cccnc1)C)C)(C)OC,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/p+1/t25-,26-,27-,28+,29-,32+,33-,36-,37-,38-,40+,42+,43-/m1/s1",-6.0294,-5.3687,-5.1735,-4.5929,-4.5691,-4.4673,1.8223,1.8749,1.9118,2.076,2.3094,D01078_J01FA15,0822000000086ac00700460005024100610020340003001802100800035484001800500880208037508f1418200010c00702004010a8e014052108820000a6100c903e8081100a00000198022a98001e109803400c802000e000000000232000400008a8002a000018a02004c0103ca010078100084710000150410142800500,1500002c30f005,07a84002040081400000a000000000000040000100009800000000000000000000004632c03a07,000040000000212183d634d39bebbe679d7fffff1f,0,11,113,4,0,11,124,128,-9.429,-4.186,13,1.0,0.014520676000000001,+,7.4743,-,7.4743,https://www.genome.jp/dbget-bin/www_bget?dr:D01078
3304,D00223, Lincomycin (USAN/INN), Lincosamides,J01FF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H](NC(=O)[C@@H]2C[C@H](C[N@H+]2C)CCC)[C@@H](C)O)O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)SC,407.545,-0.314,108.51100000000001,148.99,43,6,8,OJMMVQQUTAEWLP-KIDUDLJLSA-O,C18H35N2O6S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(O)C)C,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/p+1/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",-5.9679,-5.0341,-4.6627,-4.6339999999999995,-4.3179,-3.8231,2.4776,2.5579,2.6099,2.6542,2.9778,D00223_J01FF02,003a0105004002000100040000120008210000100000800000202800010400101800300a810500173006143020000000010200000020c011000020000000041408900b0008509880002e94031a80010610b00b4000102000804000010000a004200000200000000010200000c000388400051184000010000050000140000100,0500002c30e101,0728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7df8b68be43057dfeff1d,0,0,62,1,0,8,62,63,-10.82,-4.0569999999999995,10,,0.0007941710000000001,-,1.013,-,1.013,https://www.genome.jp/dbget-bin/www_bget?dr:D00223
3305,D02346, Lincomycin hydrochloride hydrate (JP17/, Lincosamides,J01FF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H](NC(=O)[C@@H]2C[C@H](C[N@H+]2C)CCC)[C@@H](C)O)O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)SC,407.545,-0.314,108.51100000000001,148.99,43,6,8,OJMMVQQUTAEWLP-KIDUDLJLSA-O,C18H35N2O6S+,CCCC1C[NH+](C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(O)C)C,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/p+1/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",-5.9787,-5.0408,-4.6641,-4.6219,-4.3371,-3.8337,2.5438,2.5896,2.6119,2.6865,2.8839,D02346_J01FF02,003a0105004002000100040000120008210000100000800000202800010400101800300a810500173006143020000000010200000020c011000020000000041408900b0008509880002e94031a80010610b00b4000102000804000010000a004200000200000000010200000c000388400051184000010000050000140000100,0500002c30e101,0728400204010040000080000a0000000000000000000000000000000000000000000437c02a04,00000000000031818044b7df8b68be43057dfeff1d,0,0,62,1,0,8,62,63,-10.82,-4.058,10,,0.000794751,-,1.013,-,1.013,https://www.genome.jp/dbget-bin/www_bget?dr:D02346
3306,D00854, Quinupristin - dalfopristin mixt, Streptogramins,J01FG02,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@@H](C(=O)N[C@@H](c3ccccc3)C(=O)O[C@H]([C@H](NC(=O)c3c(cccn3)O)C(=O)N[C@@H](C(=O)N3[C@H](C(=O)N([C@H](C1=O)Cc1ccc(cc1)N(C)C)C)CCC3)CC)C)CC(=O)[C@H](C2)CS[C@H]1[C@H]2CC[N@@H+](C1)CC2,1023.23,3.3378,297.407,257.7,87,5,19,WTHRRGMBUAHGNI-YNMJRHOFSA-O,C53H68N9O10S+,CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2N(C(=O)C(N(C(=O)C3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)CC(CSC1C[NH+]3CCC1CC3)C(=O)C2)c1ccccc1,"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/p+1/t31-,35+,37+,38-,39+,40-,43+,44-,45-/m0/s1",-6.0389,-4.5904,-4.5806,-4.5412,-4.3912,-4.3197,2.4295,2.4892,2.5942,2.6043,2.608,D00854_J01FG02,00668103006004a42f0006000683000c8100009040c28000000000c0013e10301c00708783238033308e2738200101c0010242001820a00c030000020010261c0c210c0248141ec401a01c001e88011f00b0075004003908c0481b02800860044d3420220000000014003200e0000400400e11dc00431260087a80435a800300,1500000432f125,07004102150001000000a0002a000040c00100000001900000000000000000000000c640c03a05,00000000000031a10146b7df8b69bbc7ddffffff1f,0,18,122,8,0,11,141,148,-10.179,-4.074,9,0.0,0.895708084,-,14.8795,-,14.8795,https://www.genome.jp/dbget-bin/www_bget?dr:D00854
3307,D00063, Tobramycin (JP17/USP), Other aminoglycosides,J01GB01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H](C[C@H]1[NH3+])O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,472.55400000000003,-9.8798,112.272,276.27,51,10,9,NLVFBUXFDBBNBW-PBSUHMDJSA-S,C18H42N5O9+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(CC1O)[NH3+],"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+5/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.3713,-5.3643,-5.3607,-5.3595,-5.3566,-5.3555,2.6269,2.7066,2.8249,2.855,3.0659,D00063_J01GB01,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b5080641d6fe37d1d,0,0,76,0,0,6,74,76,-21.057,-13.39,14,,5.590089999999999e-33,+,1.8197,-,1.8197,https://www.genome.jp/dbget-bin/www_bget?dr:D00063
3308,D00063, Tobramycin (JP17/USP), Antibiotics,S01AA12,SENSORY ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H](C[C@H]1[NH3+])O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,472.55400000000003,-9.8798,112.272,276.27,51,10,9,NLVFBUXFDBBNBW-PBSUHMDJSA-S,C18H42N5O9+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(CC1O)[NH3+],"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+5/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.3977,-5.3584,-5.3522,-5.352,-5.3506,-5.3447,2.636,2.9051,2.9785,3.0056,3.1457,D00063_S01AA12,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b5080641d6fe37d1d,0,0,76,0,0,6,74,76,-21.057,-13.39,14,,5.590089999999999e-33,+,1.8197,-,1.8197,https://www.genome.jp/dbget-bin/www_bget?dr:D00063
3309,D02542, Tobramycin sulfate (USP), Other aminoglycosides,J01GB01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H](C[C@H]1[NH3+])O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,472.55400000000003,-9.8798,112.272,276.27,51,10,9,NLVFBUXFDBBNBW-PBSUHMDJSA-S,C18H42N5O9+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(CC1O)[NH3+],"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+5/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.3757,-5.3655,-5.3594,-5.3552,-5.3462,-5.3421,2.5676,2.7329,2.8128,2.8504,3.089,D02542_J01GB01,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b5080641d6fe37d1d,0,0,76,0,0,6,74,76,-20.913,-13.499,14,1.0,5.78508e-33,+,1.8197,-,1.8197,https://www.genome.jp/dbget-bin/www_bget?dr:D02542
3310,D02542, Tobramycin sulfate (USP), Antibiotics,S01AA12,SENSORY ORGANS,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H](C[C@H]1[NH3+])O)C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,472.55400000000003,-9.8798,112.272,276.27,51,10,9,NLVFBUXFDBBNBW-PBSUHMDJSA-S,C18H42N5O9+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(CC1O)[NH3+],"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+5/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.4049,-5.372000000000001,-5.3705,-5.3655,-5.354,-5.3525,2.5380000000000003,2.6275,2.8407,2.8657,3.1031,D02542_S01AA12,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b5080641d6fe37d1d,0,0,76,0,0,6,74,76,-20.913,-13.499,14,1.0,5.78508e-33,+,1.8197,-,1.8197,https://www.genome.jp/dbget-bin/www_bget?dr:D02542
3311,D08268, Netilmicin (INN), Other aminoglycosides,J01GB07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH2+]CC)O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)[NH2+]C)O,480.619,-7.4035,124.12299999999999,213.75,53,8,7,CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7+++++,CC[NH2+]C1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(=CCC1[NH3+])C[NH3+],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",-5.7072,-5.6847,-5.6638,-5.6232,-5.3843,-5.3837,2.3427,2.3453,2.3991,2.5793,3.0175,D08268_J01GB07,004a00000000e40c1000040002420000210000b40002400000000080210400301000100880800017b0000010200010000122000000e0c013400100004400a03008932b000810000200008803020002800080014000002000e0015001000020000004002880380a0000000000c000388001050180010110000004008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd886641d7ff3fd1d,0,0,80,1,0,8,79,81,-21.677,-13.543,11,1.0,1.20424e-31,+,2.0303,-,2.0303,https://www.genome.jp/dbget-bin/www_bget?dr:D08268
3312,D08268, Netilmicin (INN), Antibiotics,S01AA23,SENSORY ORGANS,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH2+]CC)O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)[NH2+]C)O,480.619,-7.4035,124.12299999999999,213.75,53,8,7,CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7+++++,CC[NH2+]C1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(=CCC1[NH3+])C[NH3+],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",-5.7177,-5.6726,-5.6664,-5.6284,-5.3997,-5.3989,2.5201,2.6048,3.0367,3.1002,3.1163,D08268_S01AA23,004a00000000e40c1000040002420000210000b40002400000000080210400301000100880800017b0000010200010000122000000e0c013400100004400a03008932b000810000200008803020002800080014000002000e0015001000020000004002880380a0000000000c000388001050180010110000004008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd886641d7ff3fd1d,0,0,80,1,0,8,79,81,-21.677,-13.543,11,1.0,1.20424e-31,+,2.0303,-,2.0303,https://www.genome.jp/dbget-bin/www_bget?dr:D08268
3313,D00867, Netilmicin sulfate (JAN/USP), Other aminoglycosides,J01GB07,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH2+]CC)O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)[NH2+]C)O,480.619,-7.4035,124.12299999999999,213.75,53,8,7,CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7+++++,CC[NH2+]C1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(=CCC1[NH3+])C[NH3+],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",-5.7066,-5.6915,-5.6522,-5.6265,-5.4045,-5.3768,2.2822,2.3413,2.5836,2.6222,2.9565,D00867_J01GB07,004a00000000e40c1000040002420000210000b40002400000000080210400301000100880800017b0000010200010000122000000e0c013400100004400a03008932b000810000200008803020002800080014000002000e0015001000020000004002880380a0000000000c000388001050180010110000004008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd886641d7ff3fd1d,0,0,80,1,0,8,79,81,-21.680999999999997,-13.554,11,,1.2060199999999999e-31,+,2.0303,-,2.0303,https://www.genome.jp/dbget-bin/www_bget?dr:D00867
3314,D00867, Netilmicin sulfate (JAN/USP), Antibiotics,S01AA23,SENSORY ORGANS,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH2+]CC)O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)[NH2+]C)O,480.619,-7.4035,124.12299999999999,213.75,53,8,7,CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7+++++,CC[NH2+]C1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(=CCC1[NH3+])C[NH3+],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",-5.7228,-5.6993,-5.6698,-5.6625,-5.3837,-5.3798,2.3568,2.4493,2.491,2.5921,3.135,D00867_S01AA23,004a00000000e40c1000040002420000210000b40002400000000080210400301000100880800017b0000010200010000122000000e0c013400100004400a03008932b000810000200008803020002800080014000002000e0015001000020000004002880380a0000000000c000388001050180010110000004008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd886641d7ff3fd1d,0,0,80,1,0,8,79,81,-21.680999999999997,-13.554,11,,1.2060199999999999e-31,+,2.0303,-,2.0303,https://www.genome.jp/dbget-bin/www_bget?dr:D00867
3315,D02544, Sisomicin (USAN/INN), Other aminoglycosides,J01GB08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH3+])O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)[NH2+]C)O,452.566,-7.7449,114.414,224.78,49,8,7,URWAJWIAIPFPJE-YFMIWBNJSA-S,C19H42N5O7+++++,[NH3+]CC1=CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+],"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/p+5/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",-5.7081,-5.6119,-5.39,-5.3894,-5.3793,-5.3663,2.3215,2.4115,2.5864,3.1123,3.1942,D02544_J01GB08,004200000000e40c0000040002420000200000a40002400000000080200400301000000880800007b0000010200010000122000000e0c013400100000400a02008932b000010000200008803020002800080014000002000e0015001000020000004000880380a0000000000c000388001050180010110000000008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd884641d6ff3fd1d,0,0,74,1,0,6,73,75,-21.763,-13.885,11,,2.5314499999999997e-34,+,1.9099,-,1.9099,https://www.genome.jp/dbget-bin/www_bget?dr:D02544
3316,D02181, Sisomicin sulfate (JAN/USP), Other aminoglycosides,J01GB08,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1OC(=CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH3+])O[C@@H]1[C@@H]([C@H]([C@](CO1)(O)C)[NH2+]C)O,452.566,-7.7449,114.414,224.78,49,8,7,URWAJWIAIPFPJE-YFMIWBNJSA-S,C19H42N5O7+++++,[NH3+]CC1=CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+],"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/p+5/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",-5.7084,-5.6214,-5.3846,-5.3839,-5.3676,-5.367000000000001,2.2278,2.3551,2.3603,2.5798,3.2609,D02181_J01GB08,004200000000e40c0000040002420000200000a40002400000000080200400301000000880800007b0000010200010000122000000e0c013400100000400a02008932b000010000200008803020002800080014000002000e0015001000020000004000880380a0000000000c000388001050180010110000000008150000000,0100006c30e001,0368c0010400804000020000000000000000000000000000000000000000000000000432c02204,000000000000310182880a578fd884641d6ff3fd1d,0,0,74,1,0,6,73,75,-21.706999999999997,-13.847000000000001,11,,6.84103e-33,+,1.9099,-,1.9099,https://www.genome.jp/dbget-bin/www_bget?dr:D02181
3317,D07811, Dibekacin (INN), Other aminoglycosides,J01GB09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,456.555,-8.8506,111.111,256.04,50,9,8,JJCQSGDBDPYCEO-XVZSLQNASA-S,C18H42N5O8+++++,[NH3+]CC1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OC(CO)C(C(C1O)[NH3+])O)[NH3+])[NH3+],"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/p+5/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.4498,-5.3919,-5.3684,-5.3625,-5.3561,-5.3521,2.2309,2.2372,2.5576,2.7235,2.9744,D07811_J01GB09,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b50a0641d6fe77d1d,0,0,75,0,0,6,73,75,-20.969,-13.765999999999998,13,-2.0,1.57306e-34,+,1.7749,-,1.7749,https://www.genome.jp/dbget-bin/www_bget?dr:D07811
3318,D01753, Dibekacin sulfate (JP17), Other aminoglycosides,J01GB09,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1[NH3+])C[NH3+])[NH3+])[NH3+])O)[NH3+])O)CO,456.555,-8.8506,111.111,256.04,50,9,8,JJCQSGDBDPYCEO-XVZSLQNASA-S,C18H42N5O8+++++,[NH3+]CC1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OC(CO)C(C(C1O)[NH3+])O)[NH3+])[NH3+],"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/p+5/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.419,-5.3915,-5.3824,-5.3712,-5.3617,-5.3598,2.2543,2.2628,2.5751,2.8338,2.8612,D01753_J01GB09,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000400804000000000000000000000000000000000000000000000000000000432c02204,0000000000003101808002478b50a0641d6fe77d1d,0,0,75,0,0,6,73,75,-21.105999999999998,-13.511,13,,6.64884e-33,+,1.7749,-,1.7749,https://www.genome.jp/dbget-bin/www_bget?dr:D01753
3319,D08478, Ribostamycin (INN), Other aminoglycosides,J01GB10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O,458.504,-9.5195,104.662,268.86,48,10,10,NSKGQURZWSPSBC-VVPCINPTSA-R,C17H38N4O10++++,OCC1OC(C(C1O)O)OC1C(OC2OC(C[NH3+])C(C(C2[NH3+])O)O)C([NH3+])CC(C1O)[NH3+],"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/p+4/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",-5.421,-5.416,-5.3870000000000005,-5.3577,-5.3446,-5.3408,2.3484,2.4446,2.6268,2.7973,3.0546,D08478_J01GB10,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,71,0,0,6,69,71,-18.392,-11.683,14,-1.0,4.01404e-27,+,1.6451,-,1.6451,https://www.genome.jp/dbget-bin/www_bget?dr:D08478
3320,D02209, Ribostamycin sulfate (JP17), Other aminoglycosides,J01GB10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1[NH3+])O)O)C[NH3+])[NH3+])[NH3+])O)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O,458.504,-9.5195,104.662,268.86,48,10,10,NSKGQURZWSPSBC-VVPCINPTSA-R,C17H38N4O10++++,OCC1OC(C(C1O)O)OC1C(OC2OC(C[NH3+])C(C(C2[NH3+])O)O)C([NH3+])CC(C1O)[NH3+],"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/p+4/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",-5.4071,-5.3817,-5.361000000000001,-5.3538,-5.3474,-5.3448,2.3679,2.4621,2.5174,2.6045,2.7307,D02209_J01GB10,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010080000008803000000000080014000000000a0010001002020004000000800380000000000004000388000058180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808006c78b5080641c6fe37d1d,0,0,71,0,0,6,69,71,-18.379,-11.682,14,1.0,3.96993e-27,+,1.6451,-,1.6451,https://www.genome.jp/dbget-bin/www_bget?dr:D02209
3321,D02545, Isepamicin (USAN/INN), Other aminoglycosides,J01GB11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])NC(=O)[C@H](C[NH3+])O)O[C@H]1OC[C@@]([C@@H]([C@H]1O)[NH2+]C)(O)C)O)O)O)O)C[NH3+],573.635,-10.3101,132.993,307.16,60,12,13,UDIIBEDMEYAVNG-ZKFPOVNWSA-R,C22H47N5O12++++,[NH3+]CC(C(=O)NC1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/p+4/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1",-5.705,-5.6914,-5.3798,-5.3682,-5.3672,-5.367000000000001,2.4756,2.5287,2.6710000000000003,2.9356,2.9878,D02545_J01GB11,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000800d0014000002000a001000100002000000000280038000000000000c000388000050180000110000054000140000000,0500006c30e001,0368c00104018040000080000a0000000000000000000000000000000000000000000437c02a04,000000000000310182800a5f8bf894641c6ff3ff1d,0,0,87,1,0,10,86,88,-19.38,-10.132,15,0.0,5.2749300000000007e-20,+,2.5019,-,2.5019,https://www.genome.jp/dbget-bin/www_bget?dr:D02545
3322,D01826, Isepamicin sulfate (JP17), Other aminoglycosides,J01GB11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])NC(=O)[C@H](C[NH3+])O)O[C@H]1OC[C@@]([C@@H]([C@H]1O)[NH2+]C)(O)C)O)O)O)O)C[NH3+],573.635,-10.3101,132.993,307.16,60,12,13,UDIIBEDMEYAVNG-ZKFPOVNWSA-R,C22H47N5O12++++,[NH3+]CC(C(=O)NC1CC([NH3+])C(C(C1OC1OCC(C(C1O)[NH2+]C)(C)O)O)OC1OC(C[NH3+])C(C(C1O)O)O)O,"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/p+4/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1",-5.7127,-5.6641,-5.3845,-5.3724,-5.3668,-5.3639,2.6064,2.8154,2.8798,2.9551,3.1186,D01826_J01GB11,002a00000000e000110004000202000021000034000280000000000001040010180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000800d0014000002000a001000100002000000000280038000000000000c000388000050180000110000054000140000000,0500006c30e001,0368c00104018040000080000a0000000000000000000000000000000000000000000437c02a04,000000000000310182800a5f8bf894641c6ff3ff1d,0,0,87,1,0,10,86,88,-19.384,-10.133,15,-2.0,3.83689e-20,+,2.5019,-,2.5019,https://www.genome.jp/dbget-bin/www_bget?dr:D01826
3323,D07462, Arbekacin (INN), Other aminoglycosides,J01GB12,ANTIINFECTIVES FOR SYSTEMIC USE,O([C@H]1O[C@@H](CC[C@H]1[NH3+])C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)NC(=O)[C@H](CC[NH3+])O)[NH3+],557.659,-9.5925,134.502,305.37,60,11,11,MKKYBZZTJQGVCD-XTCKQBCOSA-S,C22H49N6O10+++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])CCC1[NH3+])O,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/p+5/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",-5.3808,-5.3778,-5.3706,-5.3703,-5.3703,-5.3691,2.3917,2.4039,2.5887,2.6166,3.1895,D07462_J01GB12,002a00000000e000110004000202000021000034000280000000000001040030180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004008040000080000a0000000000000000000000000000000000000000000432c02a04,00000000000031018080024f8b70b0641d6fe77f1d,0,0,88,1,0,11,87,89,-19.845,-12.89,14,1.0,3.0392e-27,+,2.5238,-,2.5238,https://www.genome.jp/dbget-bin/www_bget?dr:D07462
3324,D01523, Arbekacin sulfate (JP17), Other aminoglycosides,J01GB12,ANTIINFECTIVES FOR SYSTEMIC USE,O([C@H]1O[C@@H](CC[C@H]1[NH3+])C[NH3+])[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)[NH3+])O)NC(=O)[C@H](CC[NH3+])O)[NH3+],557.659,-9.5925,134.502,305.37,60,11,11,MKKYBZZTJQGVCD-XTCKQBCOSA-S,C22H49N6O10+++++,[NH3+]CCC(C(=O)NC1CC([NH3+])C(C(C1OC1OC(CO)C(C(C1O)[NH3+])O)O)OC1OC(C[NH3+])CCC1[NH3+])O,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/p+5/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",-5.3754,-5.3683,-5.3683,-5.3637,-5.3618,-5.3616,2.3441,2.5041,2.5868,2.6379,3.1365,D01523_J01GB12,002a00000000e000110004000202000021000034000280000000000001040030180010088000001730061c10200010000102000000a0c013000000004000a01008902b0008102800000088030280000400d0034000002000a001000100002000000000280038000000000000c000388000050180000010000054000140000200,0500003c30e001,0238c00004008040000080000a0000000000000000000000000000000000000000000432c02a04,00000000000031018080024f8b70b0641d6fe77f1d,0,0,88,1,0,11,87,89,-19.842,-12.888,14,,3.04687e-27,+,2.5238,-,2.5238,https://www.genome.jp/dbget-bin/www_bget?dr:D01523
3325,D07497, Bekanamycin (INN), Other aminoglycosides,J01GB13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])[NH3+])O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)[NH3+])O)CO)O)[NH3+])O)O)C[NH3+],488.55400000000003,-10.909,113.434,296.5,52,11,10,SKKLOUVUUNMCJE-FQSMHNGLSA-S,C18H42N5O10+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)[NH3+],"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/p+5/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.4387,-5.3870000000000005,-5.3688,-5.3656,-5.3643,-5.3576,2.5782,2.9234,3.0218,3.05,3.1594,D07497_J01GB13,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,77,0,0,6,75,77,-20.658,-13.686,15,2.0,1.79608e-32,+,1.8802,-,1.8802,https://www.genome.jp/dbget-bin/www_bget?dr:D07497
3326,D01868, Bekanamycin sulfate (JP17), Other aminoglycosides,J01GB13,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])[NH3+])O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)[NH3+])O)CO)O)[NH3+])O)O)C[NH3+],488.55400000000003,-10.909,113.434,296.5,52,11,10,SKKLOUVUUNMCJE-FQSMHNGLSA-S,C18H42N5O10+++++,[NH3+]CC1OC(OC2C([NH3+])CC(C(C2O)OC2OC(CO)C(C(C2O)[NH3+])O)[NH3+])C(C(C1O)O)[NH3+],"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/p+5/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1",-5.4745,-5.386,-5.3634,-5.3632,-5.3614,-5.3527,2.279,2.5694,2.7638,2.9191,2.9557,D01868_J01GB13,000000000000e000000004000202000020000024000200000000000000040030100000080000000730000010200010000100000000a0c013000000000000a00008902b000010000000008803000000000080014000000000a0010001000020000000000800380000000000004000388000050180000000000000000140000000,0100003c30e001,0238c0000401804000000000000000000000000000000000000000000000000000000437c02204,0000000000003101808002478b5080641c6fe37d1d,0,0,77,0,0,6,75,77,-20.66,-13.682,15,1.0,1.9789299999999996e-32,+,1.8802,-,1.8802,https://www.genome.jp/dbget-bin/www_bget?dr:D01868
3327,D00453, Ofloxacin (JP17/USP/INN), Fluoroquinolones,J01MA01,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0441,-4.8968,-4.7294,-4.638,-4.5417,-4.5375,1.7354,1.8322,2.0673,2.3653,2.5726,D00453_J01MA01,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.306,-2.3890000000000002,1,,9.54425e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D00453
3328,D00453, Ofloxacin (JP17/USP/INN), Fluoroquinolones,S01AE01,SENSORY ORGANS,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0442,-4.8915,-4.7463,-4.6394,-4.5401,-4.5387,1.7339,1.8297,2.0653,2.3668,2.5703,D00453_S01AE01,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.306,-2.3890000000000002,1,,9.54425e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D00453
3329,D00453, Ofloxacin (JP17/USP/INN), Antiinfectives,S02AA16,SENSORY ORGANS,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0427,-4.8959,-4.7323,-4.6444,-4.5466,-4.5428,1.7339,1.831,2.0735,2.3664,2.5719,D00453_S02AA16,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.306,-2.3890000000000002,1,,9.54425e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D00453
3330,D08291, Ofloxacin hydrochloride, Fluoroquinolones,J01MA01,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.046,-4.8933,-4.7415,-4.6359,-4.5334,-4.5325,1.7318,1.8283,2.0696,2.3673,2.5705,D08291_J01MA01,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.31,-2.3890000000000002,1,1.0,9.540549999999999e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D08291
3331,D08291, Ofloxacin hydrochloride, Fluoroquinolones,S01AE01,SENSORY ORGANS,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0444,-4.8907,-4.747,-4.6362,-4.5392,-4.5359,1.7346,1.8302,2.0679,2.3668,2.5699,D08291_S01AE01,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.31,-2.3890000000000002,1,1.0,9.540549999999999e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D08291
3332,D08291, Ofloxacin hydrochloride, Antiinfectives,S02AA16,SENSORY ORGANS,c12c3c(N4CC[N@@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0431,-4.8913,-4.7434,-4.6424,-4.5432,-4.5425,1.7353,1.8302,2.0741,2.3673,2.5698,D08291_S02AA16,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.31,-2.3890000000000002,1,1.0,9.540549999999999e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D08291
3333,D00186, Ciprofloxacin (JP17/USP/INN), Fluoroquinolones,J01MA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7088,-5.7077,-4.8921,-4.7117,-4.3485,-4.3431,1.7684,1.8412,2.0457,2.3641,2.5841,D00186_J01MA02,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.292999999999999,-2.573,0,,4.50759e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D00186
3334,D00186, Ciprofloxacin (JP17/USP/INN), Fluoroquinolones,S01AE03,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.712000000000001,-5.7041,-4.8912,-4.7489,-4.3535,-4.3476,1.7668,1.8296,2.0709999999999997,2.3684,2.5685,D00186_S01AE03,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.292999999999999,-2.573,0,,4.50759e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D00186
3335,D00186, Ciprofloxacin (JP17/USP/INN), Antiinfectives,S02AA15,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7097,-5.7085,-4.8951,-4.7057,-4.3476,-4.3406,1.7685,1.8415,2.0477,2.363,2.5825,D00186_S02AA15,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.292999999999999,-2.573,0,,4.50759e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D00186
3336,D00186, Ciprofloxacin (JP17/USP/INN), Antiinfectives,S03AA07,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7099,-5.7087,-4.8813,-4.7718,-4.3447,-4.343999999999999,1.7681,1.8293,2.0356,2.3679,2.5647,D00186_S03AA07,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.292999999999999,-2.573,0,,4.50759e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D00186
3337,D02216, Ciprofloxacin hydrochloride (USP), Fluoroquinolones,J01MA02,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(C3CC3)cc(c(=O)c1cc(c(c2)N1CC[NH2+]CC1)F)C(=O)O,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7126,-5.7031,-4.8869,-4.7166,-4.3582,-4.3491,1.7666,1.8438,2.0806,2.3653,2.5822,D02216_J01MA02,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.2860000000000005,-2.5810000000000004,0,,4.67048e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D02216
3338,D02216, Ciprofloxacin hydrochloride (USP), Fluoroquinolones,S01AE03,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c1cc(c(c2)N1CC[NH2+]CC1)F)C(=O)O,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7097,-5.7075,-4.8932,-4.7219999999999995,-4.3448,-4.3434,1.7687,1.8301,2.0726,2.3643,2.5715,D02216_S01AE03,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.2860000000000005,-2.5810000000000004,0,,4.67048e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D02216
3339,D02216, Ciprofloxacin hydrochloride (USP), Antiinfectives,S02AA15,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c1cc(c(c2)N1CC[NH2+]CC1)F)C(=O)O,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7103,-5.7103,-4.8833,-4.7539,-4.3372,-4.3366,1.7687,1.8271,2.0721,2.3671,2.5658,D02216_S02AA15,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.2860000000000005,-2.5810000000000004,0,,4.67048e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D02216
3340,D02216, Ciprofloxacin hydrochloride (USP), Antiinfectives,S03AA07,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c1cc(c(c2)N1CC[NH2+]CC1)F)C(=O)O,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7125,-5.7055,-4.8997,-4.727,-4.3531,-4.3469999999999995,1.7668,1.8359999999999999,2.0797,2.3683,2.5709,D02216_S03AA07,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.2860000000000005,-2.5810000000000004,0,,4.67048e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D02216
3341,D07702, Ciprofloxacin lactate, Fluoroquinolones,J01MA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7087,-5.7052,-4.885,-4.7501,-4.3565,-4.3506,1.768,1.8269,2.0706,2.3678,2.5666,D07702_J01MA02,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.289,-2.572,0,0.0,4.50617e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D07702
3342,D07702, Ciprofloxacin lactate, Fluoroquinolones,S01AE03,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7119,-5.7051,-4.8887,-4.7551,-4.3498,-4.3455,1.7672,1.8303,2.0466,2.3666,2.5699,D07702_S01AE03,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.289,-2.572,0,0.0,4.50617e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D07702
3343,D07702, Ciprofloxacin lactate, Antiinfectives,S02AA15,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7109,-5.7054,-4.8841,-4.7588,-4.3521,-4.3475,1.7673,1.8266,2.0682,2.369,2.5634,D07702_S02AA15,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.289,-2.572,0,0.0,4.50617e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D07702
3344,D07702, Ciprofloxacin lactate, Antiinfectives,S03AA07,SENSORY ORGANS,c1(c(cc2c(c1)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]CC1)F,332.349,2.1913,96.2087,79.15,22,2,5,MYSWGUAQZAJSOK-UHFFFAOYSA-O,C17H19FN3O3+,Fc1cc2c(cc1N1CC[NH2+]CC1)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1",-5.7123,-5.7051,-4.8966,-4.7241,-4.3543,-4.3492,1.7667,1.8334,2.0761,2.3659,2.5708,D07702_S03AA07,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306001028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,020040010500000000008800000000004003000000088900000000000000000000004640c02a00,000020000002012001c47a059b45a1c7f5e7ef7b1f,1,11,33,2,0,3,43,46,-6.289,-2.572,0,0.0,4.50617e-06,+,1.7525,-,1.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D07702
3345,D02306, Pefloxacin (USAN/INN), Fluoroquinolones,J01MA03,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(cc(c(c1)N1CC[NH+](CC1)C)F)c(=O)c(cn2CC)C(=O)O,334.365,1.8276,98.417,66.98,24,2,5,FHFYDNQZQSQIAI-UHFFFAOYSA-O,C17H21FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH+](CC1)C)c(c2)F,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)/p+1",-6.0458,-4.8956,-4.7238,-4.6311,-4.5426,-4.5415,1.732,1.8339,2.0723,2.3681,2.5662,D02306_J01MA03,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040020500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c472159b45afc7f5e7ffff1f,1,11,34,2,0,3,45,47,-6.242999999999999,-2.5780000000000003,0,0.0,1.7351199999999997e-05,-,1.0598,-,1.0598,https://www.genome.jp/dbget-bin/www_bget?dr:D02306
3346,D02307, Pefloxacin mesylate (USAN), Fluoroquinolones,J01MA03,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(cc(c(c1)N1CC[NH+](CC1)C)F)c(=O)c(cn2CC)C(=O)O,334.365,1.8276,98.417,66.98,24,2,5,FHFYDNQZQSQIAI-UHFFFAOYSA-O,C17H21FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH+](CC1)C)c(c2)F,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)/p+1",-6.0445,-4.8863,-4.7491,-4.6309,-4.5383,-4.5365,1.7307,1.831,2.0747,2.3680000000000003,2.569,D02307_J01MA03,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040020500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c472159b45afc7f5e7ffff1f,1,11,34,2,0,3,45,47,-6.245,-2.5780000000000003,0,1.0,1.73542e-05,-,1.0598,-,1.0598,https://www.genome.jp/dbget-bin/www_bget?dr:D02307
3347,D00310, Enoxacin (USAN/INN), Fluoroquinolones,J01MA04,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(n2)N1CC[NH2+]CC1)F,321.327,1.2713,91.3107,92.04,22,2,6,IDYZIJYBMGIQMJ-UHFFFAOYSA-O,C15H18FN4O3+,CCn1cc(C(=O)O)c(=O)c2c1nc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)/p+1",-5.7114,-5.7092,-4.8967,-4.7356,-4.3592,-4.3495,2.0747,2.1047,2.3664,2.5686,3.1335,D00310_J01MA04,8002008000180cc04088470018804008810004108000000800000080000004400e00708221488061788a063e000010c00000e0400000600804e00092000404000d001c00400002000030e00002980004009001500c002001c00200e000010002000800000000000070c00000021004001006010e204310000098800102400100,0500000c00f023,010040010400000000008800000000014003000000089900000000000000000000004640c02a00,000000002002012001d47a059b45a3c7f5e7efff1f,1,11,30,2,0,3,41,43,-6.349,-2.589,0,,2.14627e-06,-,1.09,-,1.09,https://www.genome.jp/dbget-bin/www_bget?dr:D00310
3348,D05461, Enoxacin hydrate (JP17), Fluoroquinolones,J01MA04,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(n2)N1CC[NH2+]CC1)F,321.327,1.2713,91.3107,92.04,22,2,6,IDYZIJYBMGIQMJ-UHFFFAOYSA-O,C15H18FN4O3+,CCn1cc(C(=O)O)c(=O)c2c1nc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)/p+1",-5.7104,-5.71,-4.8985,-4.7249,-4.3446,-4.3419,2.0691,2.1058,2.3657,2.5693,3.1299,D05461_J01MA04,8002008000180cc04088470018804008810004108000000800000080000004400e00708221488061788a063e000010c00000e0400000600804e00092000404000d001c00400002000030e00002980004009001500c002001c00200e000010002000800000000000070c00000021004001006010e204310000098800102400100,0500000c00f023,010040010400000000008800000000014003000000089900000000000000000000004640c02a00,000000002002012001d47a059b45a3c7f5e7efff1f,1,11,30,2,0,3,41,43,-6.353,-2.5869999999999997,0,0.0,2.14489e-06,-,1.09,-,1.09,https://www.genome.jp/dbget-bin/www_bget?dr:D05461
3349,D02469, Temafloxacin hydrochloride (USAN), Fluoroquinolones,J01MA05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F)N1CC[NH2+][C@H](C1)C,418.389,3.5123,113.507,79.15,22,2,5,QKDHBVNJCZBTMR-NSHDSACASA-O,C21H19F3N3O3+,CC1[NH2+]CCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,"InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/p+1/t11-/m0/s1",-5.7099,-5.7028,-4.9014,-4.7191,-4.354,-4.3364,1.7657,1.8403,2.0828,2.3661,2.5703,D02469_J01MA05,40020000000004c0488007100080400c810004008080000800000080000004021e00508325088060788a0638000010c0000260000001200804400082000404000d000c00400002000030600002880000008001d004002000c00a01c000015002041000000080000030c00000221004201006010620431000009a800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dadc7f5e7effb1f,3,17,33,2,0,3,49,52,-6.354,-2.525,1,0.0,0.000579082,-,1.6242,-,1.6242,https://www.genome.jp/dbget-bin/www_bget?dr:D02469
3350,D00210, Norfloxacin (JP17/USP/INN), Fluoroquinolones,J01MA06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2)N1CC[NH2+]CC1)F,320.339,1.8763,93.5157,79.15,22,2,5,OGJPXUAPXNRGGI-UHFFFAOYSA-O,C16H19FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)/p+1",-5.711,-5.7079,-4.888999999999999,-4.7442,-4.3455,-4.3396,1.7679,1.8317,2.0746,2.3676,2.5701,D00210_J01MA06,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c47a059b45a3c7f5e7efff1f,1,11,31,2,0,3,42,44,-6.285,-2.582,0,0.0,3.17883e-06,-,0.9915,-,0.9915,https://www.genome.jp/dbget-bin/www_bget?dr:D00210
3351,D00210, Norfloxacin (JP17/USP/INN), Fluoroquinolones,S01AE02,SENSORY ORGANS,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2)N1CC[NH2+]CC1)F,320.339,1.8763,93.5157,79.15,22,2,5,OGJPXUAPXNRGGI-UHFFFAOYSA-O,C16H19FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)/p+1",-5.7118,-5.7116,-4.8913,-4.7457,-4.3393,-4.3303,1.7678,1.8295,2.0686,2.3676,2.5715,D00210_S01AE02,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c47a059b45a3c7f5e7efff1f,1,11,31,2,0,3,42,44,-6.285,-2.582,0,0.0,3.17883e-06,-,0.9915,-,0.9915,https://www.genome.jp/dbget-bin/www_bget?dr:D00210
3352,D08287, Norfloxacin nicotinate, Fluoroquinolones,J01MA06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2)N1CC[NH2+]CC1)F,320.339,1.8763,93.5157,79.15,22,2,5,OGJPXUAPXNRGGI-UHFFFAOYSA-O,C16H19FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)/p+1",-5.7089,-5.7082,-4.886,-4.7481,-4.3481,-4.3422,1.7691,1.8317,2.076,2.3680000000000003,2.5683,D08287_J01MA06,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c47a059b45a3c7f5e7efff1f,1,11,31,2,0,3,42,44,-6.285,-2.5789999999999997,0,0.0,3.17887e-06,-,0.9915,-,0.9915,https://www.genome.jp/dbget-bin/www_bget?dr:D08287
3353,D08287, Norfloxacin nicotinate, Fluoroquinolones,S01AE02,SENSORY ORGANS,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2)N1CC[NH2+]CC1)F,320.339,1.8763,93.5157,79.15,22,2,5,OGJPXUAPXNRGGI-UHFFFAOYSA-O,C16H19FN3O3+,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CC[NH2+]CC1)c(c2)F,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)/p+1",-5.7115,-5.7071,-4.8885,-4.745,-4.3456,-4.3417,1.7677,1.8323,2.0741,2.3676,2.5706,D08287_S01AE02,40020000000004c04080070000804008810004108080000800000080000004001e00508224008060788a0638000010c0000040000000200804400082000404000d000c00c000000000306000028800000080015004002000c00a00c000010002000000000080000070c000000210040010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c47a059b45a3c7f5e7efff1f,1,11,31,2,0,3,42,44,-6.285,-2.5789999999999997,0,0.0,3.17887e-06,-,0.9915,-,0.9915,https://www.genome.jp/dbget-bin/www_bget?dr:D08287
3354,D02318, Lomefloxacin (USAN), Fluoroquinolones,J01MA07,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.71,-5.7082,-4.8908,-4.7474,-4.3357,-4.3202,1.7668,1.8286,2.0542,2.3671,2.5721,D02318_J01MA07,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.352,-2.385,1,,2.3396500000000002e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D02318
3355,D02318, Lomefloxacin (USAN), Fluoroquinolones,S01AE04,SENSORY ORGANS,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.7089,-5.707000000000001,-4.8891,-4.7545,-4.3419,-4.3224,1.7666,1.8281,2.0659,2.3692,2.5687,D02318_S01AE04,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.352,-2.385,1,,2.3396500000000002e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D02318
3356,D00873, Lomefloxacin hydrochloride (JAN/USAN), Fluoroquinolones,J01MA07,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.7093,-5.709,-4.8973,-4.7216,-4.3403,-4.3205,1.7661,1.8325,2.0717,2.3664,2.571,D00873_J01MA07,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.354,-2.384,1,,2.3435100000000002e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D00873
3357,D00873, Lomefloxacin hydrochloride (JAN/USAN), Fluoroquinolones,S01AE04,SENSORY ORGANS,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.7103,-5.7061,-4.8812,-4.7647,-4.3466,-4.3221,1.7659,1.8366,2.0581,2.3668,2.5674,D00873_S01AE04,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.354,-2.384,1,,2.3435100000000002e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D00873
3358,D02541, Lomefloxacin mesylate (USAN), Fluoroquinolones,J01MA07,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.7111,-5.7108,-4.9002,-4.7426,-4.3263,-4.3125,1.7661,1.831,2.0684,2.3719,2.5685,D02541_J01MA07,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.35,-2.384,1,0.0,2.34253e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D02541
3359,D02541, Lomefloxacin mesylate (USAN), Fluoroquinolones,S01AE04,SENSORY ORGANS,c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2F)N1C[C@H]([NH2+]CC1)C)F,352.356,2.4039,98.2807,79.15,23,2,5,ZEKZLJVOYLTDKK-SECBINFHSA-O,C17H20F2N3O3+,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CC[NH2+]C(C1)C,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/p+1/t9-/m1/s1",-5.71,-5.7099,-4.896,-4.7229,-4.3304,-4.3061,1.7669,1.8342,2.0756,2.3657,2.5715,D02541_S01AE04,40020000000804c04080070000804008830004108080000800000080000004001e00508225008060788a0638000010c0000240000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000080000070c000000210042010060106204310000098800002400000,0500000c00f023,010040010500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012001c47a059b4dafc7f5e7ffff1f,2,11,34,2,0,3,45,47,-6.35,-2.384,1,0.0,2.34253e-05,-,1.1317,-,1.1317,https://www.genome.jp/dbget-bin/www_bget?dr:D02541
3360,D01716, Fleroxacin (JAN/USAN/INN), Fluoroquinolones,J01MA08,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cc(c1=O)C(=O)O)CCF)c(c(c(c2)F)N1CC[NH+](CC1)C)F,370.346,1.9163,98.426,66.98,22,2,5,XBJBPGROQZJDOJ-UHFFFAOYSA-O,C17H19F3N3O3+,FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CC[NH+](CC1)C)c(c2)F,"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)/p+1",-6.045,-4.8858,-4.7574,-4.6303,-4.5186,-4.5184,1.7307,1.83,2.069,2.3687,2.5648,D01716_J01MA08,40020000000804c040800f0000804008830004108080000800000080000004001e00708224008060788a0638800012c0000040000000200804600082000404000d000c00c00002000030600002880001008001d004002000c00a01c000010002000000000280000070c000000210040010060106204310000098800002400000,0500000c00f023,000140020500000000008800000000004003000000088900000000000000000000004640c02a00,000000000002012001c472159b45adc7f5e7efff1f,3,11,34,2,0,4,45,47,-6.372999999999999,-2.517,0,1.0,9.27772e-05,-,1.5606,-,1.5606,https://www.genome.jp/dbget-bin/www_bget?dr:D01716
3361,D00590, Sparfloxacin (JAN/USAN/INN), Fluoroquinolones,J01MA09,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1C1CC1)C(=O)O)c(c(c(c2F)N1C[C@@H]([NH2+][C@@H](C1)C)C)F)N,393.408,3.2708,110.185,105.17,27,3,6,DZZWHBIBMUVIIW-DTORHVGOSA-O,C19H23F2N4O3+,CC1[NH2+]C(C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/p+1/t8-,9+",-5.7101,-5.7065,-5.1014,-5.0535,-4.8884,-4.7572,2.0652,2.2413,2.3682,2.5709,2.7635,D00590_J01MA09,40220000000804c0408007000080c00883000410c08400080000108000000c001e00508225008060788a0638000010c0000260000000200804600082000404000d000c00c00002000030600102880001008001d004002000c00a01c000010002000000000080000070c000000210042010060986204310000098800002400000,0500000c00f023,030040090500000000008800000000004003000000088900000000000000000000004640c03a04,000020000002012001c478059b4d85c7f4e7fffb1f,2,11,41,2,0,3,51,54,-6.334,-2.231,2,,3.91451e-05,-,1.9619,-,1.9619,https://www.genome.jp/dbget-bin/www_bget?dr:D00590
3362,D02474, Rufloxacin (INN), Fluoroquinolones,J01MA10,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[NH+](CC4)C)c(cc1c(=O)c(cn2CCS3)C(=O)O)F,364.414,1.9134,103.21700000000001,92.28,23,2,6,NJCJBUHJQLFDSW-UHFFFAOYSA-O,C17H19FN3O3S+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(c2=O)C(=O)O,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)/p+1",-6.0446,-4.8964,-4.7303,-4.6423,-4.5391,-4.5385,1.7329,1.8329,2.0743,2.3661,2.5725,D02474_J01MA10,6003010240a004f06080070000804008811004108080000800020080004104101f00588224008060788a0638000030c0010042000000600804600282000404040f000c00c004000400306400028800000080017005507000c04a40c000010202000000000080000070c00800021004005006118620431a20009a800002500000,0500000c00f123,000048022500000000008800000000004003000000088900000000000000000000004640c02a00,000000000802012401c4f3159b45adc7f5e7effb1f,1,11,34,2,0,2,44,47,-6.367000000000001,-2.353,0,,0.00018076,-,1.4075,-,1.4075,https://www.genome.jp/dbget-bin/www_bget?dr:D02474
3363,D08496, Rufloxacin hydrochloride, Fluoroquinolones,J01MA10,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[NH+](CC4)C)c(cc1c(=O)c(cn2CCS3)C(=O)O)F,364.414,1.9134,103.21700000000001,92.28,23,2,6,NJCJBUHJQLFDSW-UHFFFAOYSA-O,C17H19FN3O3S+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(c2=O)C(=O)O,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)/p+1",-6.0468,-4.8929,-4.7445,-4.6374,-4.5325,-4.5325,1.7307,1.8307,2.0724,2.3674,2.5709,D08496_J01MA10,6003010240a004f06080070000804008811004108080000800020080004104101f00588224008060788a0638000030c0010042000000600804600282000404040f000c00c004000400306400028800000080017005507000c04a40c000010202000000000080000070c00800021004005006118620431a20009a800002500000,0500000c00f123,000048022500000000008800000000004003000000088900000000000000000000004640c02a00,000000000802012401c4f3159b45adc7f5e7effb1f,1,11,34,2,0,2,44,47,-6.362,-2.353,0,1.0,0.000180969,-,1.4075,-,1.4075,https://www.genome.jp/dbget-bin/www_bget?dr:D08496
3364,D02178, Grepafloxacin hydrochloride (JAN/USAN), Fluoroquinolones,J01MA11,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc2c(c1C)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+][C@@H](C1)C)F,360.403,2.8882,105.98200000000001,79.15,26,2,5,AIJTTZAVMXIJGM-SNVBAGLBSA-O,C19H23FN3O3+,Fc1c(cc2c(c1C)c(=O)c(cn2C1CC1)C(=O)O)N1CC[NH2+]C(C1)C,"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)/p+1/t10-/m1/s1",-5.7098,-5.705,-4.8961,-4.7244,-4.3509,-4.3322,1.7731,1.8317,2.0968,2.3672,2.5745,D02178_J01MA11,60020000000004c0408007000080400881000410e080000800000080000004001e00508225008060788a0638000010c0000240000000200804408082000604000d000c00c000020000306001028800800080015004002000d00a00c000010002000000000080000070c000000210042010060546204310400098800002400000,0500000c00f023,030040010500000000008800000000004003000000088900000000000000000000004640c03a04,000020000002012001c47a059b4dadc7f5e7fffb1f,1,11,39,2,0,3,49,52,-6.218,-2.509,1,,2.63033e-05,-,1.7429,-,1.7429,https://www.genome.jp/dbget-bin/www_bget?dr:D02178
3365,D08120, Levofloxacin (INN), Fluoroquinolones,J01MA12,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[N@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0464,-4.8955,-4.7325,-4.6336,-4.5403,-4.5358,1.7337,1.8302,2.0713,2.3664,2.5716,D08120_J01MA12,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.3020000000000005,-2.425,1,1.0,9.53182e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D08120
3366,D08120, Levofloxacin (INN), Fluoroquinolones,S01AE05,SENSORY ORGANS,c12c3c(N4CC[N@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0468,-4.8947,-4.7345,-4.6299,-4.5437,-4.541,1.7335,1.8307,2.0726,2.3665,2.5711,D08120_S01AE05,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.3020000000000005,-2.425,1,1.0,9.53182e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D08120
3367,D00588, Levofloxacin (USAN), Fluoroquinolones,J01MA12,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3c(N4CC[N@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0468,-4.8914,-4.7469,-4.6315,-4.5407,-4.5396,1.7331,1.8294,2.0706,2.3676,2.5695,D00588_J01MA12,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.2989999999999995,-2.4290000000000003,1,,9.531129999999999e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D00588
3368,D00588, Levofloxacin (USAN), Fluoroquinolones,S01AE05,SENSORY ORGANS,c12c3c(N4CC[N@H+](CC4)C)c(cc1c(=O)c(cn2[C@H](CO3)C)C(=O)O)F,362.375,1.7611,102.795,76.21,25,2,6,GSDSWSVVBLHKDQ-JTQLQIEISA-O,C18H21FN3O4+,C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/p+1/t10-/m0/s1",-6.0464,-4.894,-4.7294,-4.6326,-4.5434,-4.5369,1.7349,1.8313,2.072,2.3657,2.5725,D00588_S01AE05,40020000300804c04080074000824008910004108082002800000080400404001e8050862400c163788a0638200010c0084246000000200804400082000424000d600c00c110000100306008068880000080055004002400c08a00c000010302000020000180000274c000061210048012060106284310600898800002400004,0500000c50f023,010042020500000000008800000000004003000000088900000000000000000000004640c02a04,000000000002012101c472559b55adc7f5effffb1f,1,11,37,2,0,2,47,50,-6.2989999999999995,-2.4290000000000003,1,,9.531129999999999e-05,-,1.4558,-,1.4558,https://www.genome.jp/dbget-bin/www_bget?dr:D00588
3369,D08654, Trovafloxacin (INN), Fluoroquinolones,J01MA13,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(c3c(cc(cc3)F)F)cc(c(=O)c1cc(c(n2)N1C[C@H]2[C@@H](C1)[C@@H]2[NH3+])F)C(=O)O,417.361,1.2427,105.473,103.07,20,2,6,WVPSKSLAZQPAKQ-CDMJZVDBSA-O,C20H16F3N4O3+,Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1nc(N1CC3C(C1)C3[NH3+])c(c2)F,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/p+1/t10-,11+,16+",-4.8852,-4.768,-4.7016,-4.6981,-4.6977,-3.8345,1.8374,2.069,2.0857,2.369,2.5631,D08654_J01MA13,80020080001804c0588847101880400c810004108080000800000080000004421c00708101488021788a061c000010e00102e0400001200804e00092080404080d000c00400006000010e00102980004009003d00c002001c00b01e000017002041810000080000070e00000621004201006010e00431000009e800102400100,0500000c00f023,0400c0000400000000008800000000014003000000089900000000000000000000004640c02a04,0000200020020120019474871b0581c7f5e7eb7b1f,3,17,31,2,0,3,46,50,-6.216,-3.0980000000000003,2,-1.0,9.67829e-05,+,5.4011,-,5.4011,https://www.genome.jp/dbget-bin/www_bget?dr:D08654
3370,D02123, Trovafloxacin mesylate (USAN), Fluoroquinolones,J01MA13,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(c3c(cc(cc3)F)F)cc(c(=O)c1cc(c(n2)N1C[C@H]2[C@@H](C1)[C@@H]2[NH3+])F)C(=O)O,417.361,1.2427,105.473,103.07,20,2,6,WVPSKSLAZQPAKQ-CDMJZVDBSA-O,C20H16F3N4O3+,Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1nc(N1CC3C(C1)C3[NH3+])c(c2)F,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/p+1/t10-,11+,16+",-4.9034,-4.7671,-4.7028,-4.6986,-4.6974,-3.8266,1.8384,2.0793,2.0794,2.375,2.5641,D02123_J01MA13,80020080001804c0588847101880400c810004108080000800000080000004421c00708101488021788a061c000010e00102e0400001200804e00092080404080d000c00400006000010e00102980004009003d00c002001c00b01e000017002041810000080000070e00000621004201006010e00431000009e800102400100,0500000c00f023,0400c0000400000000008800000000014003000000089900000000000000000000004640c02a04,0000200020020120019474871b0581c7f5e7eb7b1f,3,17,31,2,0,3,46,50,-6.222,-3.097,2,-3.0,9.672879999999999e-05,+,5.4011,-,5.4011,https://www.genome.jp/dbget-bin/www_bget?dr:D02123
3371,D08237, Moxifloxacin (INN), Fluoroquinolones,J01MA14,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(C3CC3)cc(c(=O)c2cc(c(c1OC)N1C[C@@H]2[C@@H](C1)[NH2+]CCC2)F)C(=O)O,402.439,2.9785,115.008,88.38,29,2,6,FABPRXSRWADJSP-BDJLRTHQSA-O,C21H25FN3O4+,COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)CCC[NH2+]2,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/p+1/t11-,16-/m1/s1",-5.7036,-5.6995,-4.9259,-4.7035,-4.3939,-4.3814,1.7835,1.8613,2.077,2.3681,2.5838,D08237_J01MA14,40220000300c04c05080070000824008810004108080002800000080400404001e80508205008160788a0638200010e0010246000020200804400082000404000d400c00c100020100306009068800000080055004002000e08b00c000010002000020200080000674e00000121004a01006010628431060089c800102400000,0500000c50f023,060042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47ed79b45a1e7f5efeffb1f,1,11,45,2,0,4,54,58,-6.204,-2.623,2,1.0,5.36671e-05,-,2.7305,-,2.7305,https://www.genome.jp/dbget-bin/www_bget?dr:D08237
3372,D08237, Moxifloxacin (INN), Fluoroquinolones,S01AE07,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c2cc(c(c1OC)N1C[C@@H]2[C@@H](C1)[NH2+]CCC2)F)C(=O)O,402.439,2.9785,115.008,88.38,29,2,6,FABPRXSRWADJSP-BDJLRTHQSA-O,C21H25FN3O4+,COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)CCC[NH2+]2,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/p+1/t11-,16-/m1/s1",-5.6992,-5.6989,-4.9194,-4.7,-4.3905,-4.3722,1.7852,1.8326,2.0372,2.3633,2.5807,D08237_S01AE07,40220000300c04c05080070000824008810004108080002800000080400404001e80508205008160788a0638200010e0010246000020200804400082000404000d400c00c100020100306009068800000080055004002000e08b00c000010002000020200080000674e00000121004a01006010628431060089c800102400000,0500000c50f023,060042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47ed79b45a1e7f5efeffb1f,1,11,45,2,0,4,54,58,-6.204,-2.623,2,1.0,5.36671e-05,-,2.7305,-,2.7305,https://www.genome.jp/dbget-bin/www_bget?dr:D08237
3373,D00874, Moxifloxacin hydrochloride (JAN/USAN), Fluoroquinolones,J01MA14,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(C3CC3)cc(c(=O)c2cc(c(c1OC)N1C[C@@H]2[C@@H](C1)[NH2+]CCC2)F)C(=O)O,402.439,2.9785,115.008,88.38,29,2,6,FABPRXSRWADJSP-BDJLRTHQSA-O,C21H25FN3O4+,COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)CCC[NH2+]2,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/p+1/t11-,16-/m1/s1",-5.7002,-5.6983,-4.8547,-4.8194,-4.3955,-4.3933,1.7853,1.8314,2.0846,2.371,2.5611,D00874_J01MA14,40220000300c04c05080070000824008810004108080002800000080400404001e80508205008160788a0638200010e0010246000020200804400082000404000d400c00c100020100306009068800000080055004002000e08b00c000010002000020200080000674e00000121004a01006010628431060089c800102400000,0500000c50f023,060042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47ed79b45a1e7f5efeffb1f,1,11,45,2,0,4,54,58,-6.2010000000000005,-2.625,2,1.0,5.3248500000000004e-05,-,2.7305,-,2.7305,https://www.genome.jp/dbget-bin/www_bget?dr:D00874
3374,D00874, Moxifloxacin hydrochloride (JAN/USAN), Fluoroquinolones,S01AE07,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c2cc(c(c1OC)N1C[C@@H]2[C@@H](C1)[NH2+]CCC2)F)C(=O)O,402.439,2.9785,115.008,88.38,29,2,6,FABPRXSRWADJSP-BDJLRTHQSA-O,C21H25FN3O4+,COc1c(c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)N1CC2C(C1)CCC[NH2+]2,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/p+1/t11-,16-/m1/s1",-5.7005,-5.6995,-4.8968,-4.7674,-4.3937,-4.3869,1.7851,1.8226,2.0345,2.3706,2.5712,D00874_S01AE07,40220000300c04c05080070000824008810004108080002800000080400404001e80508205008160788a0638200010e0010246000020200804400082000404000d400c00c100020100306009068800000080055004002000e08b00c000010002000020200080000674e00000121004a01006010628431060089c800102400000,0500000c50f023,060042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47ed79b45a1e7f5efeffb1f,1,11,45,2,0,4,54,58,-6.2010000000000005,-2.625,2,1.0,5.3248500000000004e-05,-,2.7305,-,2.7305,https://www.genome.jp/dbget-bin/www_bget?dr:D00874
3375,D08012, Gemifloxacin (INN), Fluoroquinolones,J01MA15,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cc(c1=O)C(=O)O)C1CC1)nc(c(c2)F)N1C/C(=N\OC)/[C@@H](C1)C[NH3+],390.389,0.3142,104.67299999999999,124.66,27,2,8,ZRCVYEYHRGVLOC-APKGJDNQSA-O,C18H21FN5O4+,CON=C1CN(CC1C[NH3+])c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/p+1/b22-14+/t9-/m1/s1",-5.3772,-5.3765,-5.3197,-4.8837,-4.7575,-4.1321,2.082,2.2352,2.3589,2.369,2.5654,D08012_J01MA15,8002008000180cc05088470018804000c10004108000004806000184000004401c007080015880a1788a061c200810e00102e0400004600804e00492000404001d000c00c00002000110e00102980004009003500c002301c10100e0c0813002000810008000000070e0000802100c201016010e00431200009c800102400300,0520000c00f023,0600c0000400400000008800000000014003000000089900000000000000000000004640c02a05,0000a0002002012041f476b73b4dc1eff5efefff1f,1,11,38,3,0,5,49,52,-6.1,-2.907,1,-1.0,0.002732944,+,2.4739,-,2.4739,https://www.genome.jp/dbget-bin/www_bget?dr:D08012
3376,D02471, Gemifloxacin mesylate (USAN), Fluoroquinolones,J01MA15,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cc(c1=O)C(=O)O)C1CC1)nc(c(c2)F)N1C/C(=N\OC)/[C@@H](C1)C[NH3+],390.389,0.3142,104.67299999999999,124.66,27,2,8,ZRCVYEYHRGVLOC-APKGJDNQSA-O,C18H21FN5O4+,CON=C1CN(CC1C[NH3+])c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/p+1/b22-14+/t9-/m1/s1",-5.3771,-5.3771,-5.317,-4.8877,-4.7538,-4.1313,2.0798,2.2448,2.3563,2.3681,2.5639999999999996,D02471_J01MA15,8002008000180cc05088470018804000c10004108000004806000184000004401c007080015880a1788a061c200810e00102e0400004600804e00492000404001d000c00c00002000110e00102980004009003500c002301c10100e0c0813002000810008000000070e0000802100c201016010e00431200009c800102400300,0520000c00f023,0600c0000400400000008800000000014003000000089900000000000000000000004640c02a05,0000a0002002012041f476b73b4dc1eff5efefff1f,1,11,38,3,0,5,49,52,-6.1,-2.908,1,0.0,0.0027251890000000003,+,2.4739,-,2.4739,https://www.genome.jp/dbget-bin/www_bget?dr:D02471
3377,D08011, Gatifloxacin (INN), Fluoroquinolones,J01MA16,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(C3CC3)cc(c(=O)c1cc(c(c2OC)N1C[C@H]([NH2+]CC1)C)F)C(=O)O,376.402,2.5884,107.508,88.38,27,2,6,XUBOMFCQGDBHNK-SNVBAGLBSA-O,C19H23FN3O4+,COc1c(N2CC[NH2+]C(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/p+1/t10-/m1/s1",-5.7121,-5.7039,-4.912,-4.6828,-4.3678,-4.3369,1.7636,1.8342,2.0468,2.3584,2.5759,D08011_J01MA16,40020000300c04c04080070000824008810004108080002800000080400404001e80508225008160788a0638200010c0000246000000200804400082000404000d400c00c100020100306009068800000080055004002000c08a00c000010002000020000080000674c00000121004a010060106284310600898800002400000,0500000c50f023,030042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47a559b4dade7f5effffb1f,1,11,40,2,0,4,50,53,-6.357,-2.333,1,1.0,2.17018e-05,+,1.891,-,1.891,https://www.genome.jp/dbget-bin/www_bget?dr:D08011
3378,D08011, Gatifloxacin (INN), Fluoroquinolones,S01AE06,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c1cc(c(c2OC)N1C[C@H]([NH2+]CC1)C)F)C(=O)O,376.402,2.5884,107.508,88.38,27,2,6,XUBOMFCQGDBHNK-SNVBAGLBSA-O,C19H23FN3O4+,COc1c(N2CC[NH2+]C(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/p+1/t10-/m1/s1",-5.7073,-5.7051,-4.8752,-4.8018,-4.3433,-4.3243,1.768,1.8345,2.0295,2.3717,2.5653,D08011_S01AE06,40020000300c04c04080070000824008810004108080002800000080400404001e80508225008160788a0638200010c0000246000000200804400082000404000d400c00c100020100306009068800000080055004002000c08a00c000010002000020000080000674c00000121004a010060106284310600898800002400000,0500000c50f023,030042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47a559b4dade7f5effffb1f,1,11,40,2,0,4,50,53,-6.357,-2.333,1,1.0,2.17018e-05,+,1.891,-,1.891,https://www.genome.jp/dbget-bin/www_bget?dr:D08011
3379,D00589, Gatifloxacin (USAN), Fluoroquinolones,J01MA16,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(C3CC3)cc(c(=O)c1cc(c(c2OC)N1C[C@H]([NH2+]CC1)C)F)C(=O)O,376.402,2.5884,107.508,88.38,27,2,6,XUBOMFCQGDBHNK-SNVBAGLBSA-O,C19H23FN3O4+,COc1c(N2CC[NH2+]C(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/p+1/t10-/m1/s1",-5.7068,-5.7062,-4.8757,-4.7957,-4.3432,-4.3228,1.7691,1.8262,2.0072,2.3706,2.5609,D00589_J01MA16,40020000300c04c04080070000824008810004108080002800000080400404001e80508225008160788a0638200010c0000246000000200804400082000404000d400c00c100020100306009068800000080055004002000c08a00c000010002000020000080000674c00000121004a010060106284310600898800002400000,0500000c50f023,030042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47a559b4dade7f5effffb1f,1,11,40,2,0,4,50,53,-6.357,-2.335,1,1.0,2.16968e-05,+,1.891,-,1.891,https://www.genome.jp/dbget-bin/www_bget?dr:D00589
3380,D00589, Gatifloxacin (USAN), Fluoroquinolones,S01AE06,SENSORY ORGANS,c12n(C3CC3)cc(c(=O)c1cc(c(c2OC)N1C[C@H]([NH2+]CC1)C)F)C(=O)O,376.402,2.5884,107.508,88.38,27,2,6,XUBOMFCQGDBHNK-SNVBAGLBSA-O,C19H23FN3O4+,COc1c(N2CC[NH2+]C(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/p+1/t10-/m1/s1",-5.707999999999999,-5.7048,-4.9168,-4.6903,-4.3706,-4.3456,1.7648,1.8272,2.0448,2.3601,2.5763,D00589_S01AE06,40020000300c04c04080070000824008810004108080002800000080400404001e80508225008160788a0638200010c0000246000000200804400082000404000d400c00c100020100306009068800000080055004002000c08a00c000010002000020000080000674c00000121004a010060106284310600898800002400000,0500000c50f023,030042010500000000008800000000004003000000088900000000000000000000004640c02a04,000020000002012001c47a559b4dade7f5effffb1f,1,11,40,2,0,4,50,53,-6.357,-2.335,1,1.0,2.16968e-05,+,1.891,-,1.891,https://www.genome.jp/dbget-bin/www_bget?dr:D00589
3381,D01144, Prulifloxacin (JAN/INN), Fluoroquinolones,J01MA17,ANTIINFECTIVES FOR SYSTEMIC USE,c1(=O)c(c2n(c3c1cc(c(c3)N1CC[N@H+](CC1)Cc1oc(=O)oc1C)F)[C@H](S2)C)C(=O)O,462.471,2.8569,123.47200000000001,135.63,26,2,9,PWNMXPDKBYZCOO-LLVKDONJSA-O,C21H21FN3O6S+,O=c1oc(c(o1)C[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,"InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)/p+1/t11-/m1/s1",-6.037000000000001,-5.8215,-5.8113,-4.8765,-4.7492,-4.547,2.0233,2.0786,2.2457,2.3791,2.5524,D01144_J01MA17,68020500a00004d0608007000080400b810004b980c0121c00400490442004001f00f88224008060788a0638000012c0100242002000388804410182080404240d400c20c046401408316c20129c00240090017014006003f14a01c000430202101000200181000070d04000131004025026111620631a60009a800102400100,0500000c00f123,01004802050000000000880000000000404b00000008a900000000000000000000004640c03a04,804400000842012581c4f7c59b47a9c7fdefffff1f,1,16,38,3,0,4,53,57,-6.394,-2.83,1,-1.0,0.001120031,-,3.9048,-,3.9048,https://www.genome.jp/dbget-bin/www_bget?dr:D01144
3382,D01153, Pazufloxacin (JAN/INN), Fluoroquinolones,J01MA18,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(C1)(c1c2OC[C@@H](n3c2c(cc1F)c(=O)c(c3)C(=O)O)C)[NH3+],319.308,1.0232,81.8864,96.17,19,2,5,XAGMUUZPGZWTRP-ZETCQYMHSA-O,C16H16FN2O4+,OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1([NH3+])CC1)F,"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/p+1/t7-/m0/s1",-4.8955,-4.745,-4.7121,-4.7027,-4.7025,-3.1366,1.7526,1.7534,1.8263,2.061,2.3674,D01153_J01MA18,6006000030000cc042800740000340001100041040020008000000c0406404001c84508400008123788a0618600100c0094226000000200004c082a2080220030d600c004110000100106009068880884080055004001008c08808c000090002001620000100000274c100861252040012060142084110600898800002000004,0500000c50f003,0300c2000400000000008800000000004003000000088900000000000000000000004640c02a04,00002000000201210300504393d58547b4edeffb1f,1,11,29,2,0,2,39,42,-6.684,-2.108,1,1.0,7.2802499999999995e-06,-,1.6977,-,1.6977,https://www.genome.jp/dbget-bin/www_bget?dr:D01153
3383,D05382, Pazufloxacin mesilate (JAN), Fluoroquinolones,J01MA18,ANTIINFECTIVES FOR SYSTEMIC USE,C1C(C1)(c1c2OC[C@@H](n3c2c(cc1F)c(=O)c(c3)C(=O)O)C)[NH3+],319.308,1.0232,81.8864,96.17,19,2,5,XAGMUUZPGZWTRP-ZETCQYMHSA-O,C16H16FN2O4+,OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1([NH3+])CC1)F,"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/p+1/t7-/m0/s1",-4.8993,-4.7315,-4.7136,-4.7083,-4.692,-3.1374,1.7495,1.7502,1.8299,2.0652,2.3659,D05382_J01MA18,6006000030000cc042800740000340001100041040020008000000c0406404001c84508400008123788a0618600100c0094226000000200004c082a2080220030d600c004110000100106009068880884080055004001008c08808c000090002001620000100000274c100861252040012060142084110600898800002000004,0500000c50f003,0300c2000400000000008800000000004003000000088900000000000000000000004640c02a04,00002000000201210300504393d58547b4edeffb1f,1,11,29,2,0,2,39,42,-6.684,-2.1069999999999998,1,1.0,7.27035e-06,-,1.6977,-,1.6977,https://www.genome.jp/dbget-bin/www_bget?dr:D05382
3384,D02540, Garenoxacin mesylate (USAN), Fluoroquinolones,J01MA19,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc2c(c1OC(F)F)n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)C[NH2+][C@@H]2C,427.421,5.0102,116.264,85.14,24,2,5,NJDRXTDGYFKORP-LLVKDONJSA-O,C23H21F2N2O4+,FC(Oc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)C[NH2+]C2C)F,"InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/p+1/t11-/m1/s1",-5.7225,-5.718999999999999,-5.5797,-5.5607,-4.9122,-4.658,2.0146,2.0177,2.0691,2.3592,2.4604,D02540_J01MA19,20060000200204c04240061000434002410004d040000018000020c0400404001cc0508018408130788a0618200000c0000226100000200404508082002002000c200c004104000100006009068840800088c56004002008c00818c000010002003020020000001664e00004131004001006011008411060089880000a200000,0500000c50f003,030140010400006000008800000000004003000000008900000000000000000000004640c02a04,000020000002012001041ec51b4f8967b4edeffb1f,2,17,37,2,0,5,52,56,-6.153,-2.625,1,1.0,6.33686e-07,-,2.4326,-,2.4326,https://www.genome.jp/dbget-bin/www_bget?dr:D02540
3385,D02475, Sitafloxacin (USAN), Fluoroquinolones,J01MA21,ANTIINFECTIVES FOR SYSTEMIC USE,C12(CC1)CN(c1c(c3n([C@@H]4[C@H](C4)F)cc(c(=O)c3cc1F)C(=O)O)Cl)C[C@H]2[NH3+],410.82199999999995,2.0508,104.795,90.18,22,2,5,PNUZDKCDAWUEGK-WCFLWFBJSA-O,C19H19ClF2N3O3+,FC1CC1n1cc(C(=O)O)c(=O)c2c1c(Cl)c(N1CC(C3(C1)CC3)[NH3+])c(c2)F,"InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/p+1/t10-,12-,13+/m0/s1",-5.3965,-5.3931,-5.3425,-4.906000000000001,-4.8871,-4.7112,1.8889,2.0488,2.0558,2.3624,2.577,D02475_J01MA21,40020200000004c0508007000080400881000410c080000800060080006806001c00718205008060788b0638800012e001024000080020080440009a000404000d000c00c0000200041060010e8800060088015004002000c00b00c000010002000040280280002470e000000210042010060102204310040098800102c00100,0500000c00f023,0a01c00005000000000088000000000040030000000c8900000000000000000000006640c02a04,000020000002012003c47487dbc581c7f5e7ef7b1f,2,11,38,2,0,3,47,51,-6.35,-2.7319999999999998,3,1.0,4.9175500000000004e-05,+,4.999,-,4.999,https://www.genome.jp/dbget-bin/www_bget?dr:D02475
3386,D02305, Rosoxacin (USAN/INN), Other quinolones,J01MB01,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ccc(c1)c1ccncc1)c(=O)c(cn2CC)C(=O)O,294.305,2.7816,84.4673,72.19,17,1,5,XBPZXDSZHPDXQU-UHFFFAOYSA-N,C17H14N2O3,CCn1cc(C(=O)O)c(=O)c2c1cc(cc2)c1ccncc1,"InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",-4.8851,-4.7469,-3.1315,-2.4219999999999997,-2.0507,-1.9869999999999999,1.1473,1.4545,1.8311,2.0841,2.3688,D02305_J01MB01,20000000000004c04000060000404000400004104000000800000080000004000c00508000008030788a0618000000c0000020000000200404408082000002000c000c004000000000006000008800800080016004000000c00800c000010002000000000000000060e000000210040010060100004100000098800002200000,0400000c00b003,010000000000000000008800000000004003000000009900000000000000000000004640402800,0000000000000020010410011b01834780e5abff1f,0,17,19,2,0,3,36,38,-4.645,1.5819999999999999,0,0.0,0.000122144,-,0.7333,-,0.7333,https://www.genome.jp/dbget-bin/www_bget?dr:D02305
3387,D00183, Nalidixic acid (JP17/USP/INN), Other quinolones,J01MB02,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)ccc(n2)C,232.235,1.423,63.9973,72.19,15,1,5,MHWLWQUZZRMNGJ-UHFFFAOYSA-N,C12H12N2O3,CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",-4.8893,-4.7389,-3.1315,-2.7004,-2.4112,-2.3763,1.4514,1.8289,2.0791,2.1146,2.3680000000000003,D00183_J01MB02,8800004000000cc04000460005004000000004104000000800000080000004000c01508001008021788a0618000000c0000020400000600004c00082000000000c000c02400002000000f00000980000008801400c000001c00000c000010002000000000000000040c000002210040010060110004100000098800102000000,0400000c00b003,010000000000000000008800000000004003000000009900000000000000000000004640402800,0000000020000000011410011b01834780e5bbff1f,0,11,17,2,0,2,29,30,-4.585,2.528,0,1.0,6.37413e-06,+,0.5701,-,0.5701,https://www.genome.jp/dbget-bin/www_bget?dr:D00183
3388,D05110, Nalidixate sodium (USAN), Other quinolones,J01MB02,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(=O)c(cn1CC)C(=O)O)ccc(n2)C,232.235,1.423,63.9973,72.19,15,1,5,MHWLWQUZZRMNGJ-UHFFFAOYSA-N,C12H12N2O3,CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",-4.8884,-4.7401,-3.1315,-2.7002,-2.4124,-2.3758,1.4519,1.829,2.0797,2.1146,2.3680000000000003,D05110_J01MB02,8800004000000cc04000460005004000000004104000000800000080000004000c01508001008021788a0618000000c0000020400000600004c00082000000000c000c02400002000000f00000980000008801400c000001c00000c000010002000000000000000040c000002210040010060110004100000098800102000000,0400000c00b003,010000000000000000008800000000004003000000009900000000000000000000004640402800,0000000020000000011410011b01834780e5bbff1f,0,11,17,2,0,2,29,30,-4.585,2.528,0,0.0,6.37413e-06,-,0.5049,-,0.5049,https://www.genome.jp/dbget-bin/www_bget?dr:D05110
3389,D01431, Piromidic acid (JAN/INN), Other quinolones,J01MB03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ncc2c(n1)n(cc(c2=O)C(=O)O)CC)N1CCCC1,288.302,1.1748,81.4683,88.32,21,1,7,RCIMBBZXSXFZBV-UHFFFAOYSA-N,C14H16N4O3,CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCCC1,"InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)",-6.329,-4.8891,-4.7867,-4.7772,-4.7441,-3.1346,2.1171,2.346,2.3679,2.5709,3.1994,D01431_J01MB03,80020080001000c04008460008004000000004100000000800000080000004401c00708040488021708a041c000000c00100a0400000600004c00082000000000c000c00c00000000000c00002880004001001400c002000c00000a000010002000810000020000050c0000002100c0010060008004118000098800102000100,0400000c00b023,030000000000000000008800000000004003000000009900000000000000000000004640402800,0000000120000020019434811b43a347d1e7afff1f,0,11,26,2,0,3,37,39,-4.6160000000000005,2.642,0,1.0,1.978e-05,+,0.9425,-,0.9425,https://www.genome.jp/dbget-bin/www_bget?dr:D01431
3390,D08379, Pipemidic acid (INN), Other quinolones,J01MB04,ANTIINFECTIVES FOR SYSTEMIC USE,n1c(nc2c(c1)c(=O)c(cn2CC)C(=O)O)N1CC[NH2+]CC1,304.324,0.5272,89.1477,104.93,23,2,7,JOHZPMXAZQZXHR-UHFFFAOYSA-O,C14H18N5O3+,CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CC[NH2+]CC1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)/p+1",-6.2038,-5.712999999999999,-5.7095,-4.8959,-4.7948,-4.7929,2.3512,2.3668,2.5653,3.1678,3.18,D08379_J01MB04,80020080001000c04008460018004008000004100000000800000080000004400c00708260488021708a043e000000c00000a0400000600004c00082000000000c001c00c00000000020c00002880004001001400c002000c00000a000010002000800000020000040c0000002100c001006000c004108000098800102000100,0500000c00f023,010040010400000000008800000000004003000000009900000000000000000000004640c02a00,000000012000012001d43a059b43a3c7d5e7efff1f,0,11,29,2,0,3,40,42,-6.346,-2.535,0,0.0,1.12392e-06,+,1.0727,-,1.0727,https://www.genome.jp/dbget-bin/www_bget?dr:D08379
3391,D01531, Pipemidic acid hydrate (JP17), Other quinolones,J01MB04,ANTIINFECTIVES FOR SYSTEMIC USE,n1c(nc2c(c1)c(=O)c(cn2CC)C(=O)O)N1CC[NH2+]CC1,304.324,0.5272,89.1477,104.93,23,2,7,JOHZPMXAZQZXHR-UHFFFAOYSA-O,C14H18N5O3+,CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CC[NH2+]CC1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)/p+1",-6.1994,-5.7117,-5.7094,-4.8914,-4.795,-4.7865,2.3498,2.3672,2.5642,3.1678,3.1753,D01531_J01MB04,80020080001000c04008460018004008000004100000000800000080000004400c00708260488021708a043e000000c00000a0400000600004c00082000000000c001c00c00000000020c00002880004001001400c002000c00000a000010002000800000020000040c0000002100c001006000c004108000098800102000100,0500000c00f023,010040010400000000008800000000004003000000009900000000000000000000004640c02a00,000000012000012001d43a059b43a3c7d5e7efff1f,0,11,29,2,0,3,40,42,-6.346,-2.5340000000000003,0,1.0,1.12217e-06,+,1.0727,-,1.0727,https://www.genome.jp/dbget-bin/www_bget?dr:D01531
3392,D02301, Oxolinic acid (USAN/INN), Other quinolones,J01MB05,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(cc3c(c2)OCO3)c(=O)c(cn1CC)C(=O)O,261.23,1.4483,67.2993,77.76,15,1,6,KYGZCKSPAKDVKC-UHFFFAOYSA-N,C13H11NO5,CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",-4.8884,-4.7382,-3.1319,-2.4236,-2.0505,-2.0263,1.146,1.4539,1.8317,2.0852,2.3683,D02301_J01MB05,00002300200004c04000060000024001000004300000000800000080402004400c00508000008120788a0618000204c0000286000000280004400082000000000c802c00410000010000600006c800000080014004000040c00800c000012002080000000000080660c000000210040010060100084100200898800002000000,0400000c50b003,010000000000804000008800000000004003000000008900000000000000000000004640402800,0000000800000001810414811b11834780cfabff1f,0,11,19,2,0,2,30,32,-4.603,2.474,0,,2.35828e-05,+,1.2568,-,1.2568,https://www.genome.jp/dbget-bin/www_bget?dr:D02301
3393,D00872, Cinoxacin (JP17/USP/INN), Other quinolones,J01MB06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(cc3c(c1)c(=O)c(nn3CC)C(=O)O)OCO2,262.218,0.8433,65.0943,90.65,15,1,7,VDUWPHTZYNWKRN-UHFFFAOYSA-N,C12H10N2O5,CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",-4.9899,-4.8766,-3.2544,-2.4408,-2.1363,-2.026,1.89,2.0971,2.2125,2.3464,2.7037,D00872_J01MB06,00454302200000c04100060004030001000008200000000000000080404010400400700205488101780a071c000304000002a6000004280004000003000021000ca02c00010000010000e00006d000000080016008001040c00800c00003200200000001040008066240000002100c810007010088010820088c000004000000,0400000c50b003,010000000000804000008800000000004003000000009900000000000000000000004640402800,0000000800000801810404e11b51834f80efabff1f,0,11,18,2,0,2,29,31,-4.853,2.307,0,,9.95265e-06,+,0.727,-,0.727,https://www.genome.jp/dbget-bin/www_bget?dr:D00872
3394,D02302, Flumequine (USAN/INN), Other quinolones,J01MB07,ANTIINFECTIVES FOR SYSTEMIC USE,c12c3cc(cc1CC[C@@H](n2cc(c3=O)C(=O)O)C)F,261.248,2.346,68.8533,59.3,14,1,4,DPSPPJIUMHPXMA-ZETCQYMHSA-N,C14H12FNO3,Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O)O)C,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1",-4.8892,-4.736000000000001,-3.1324,-2.4165,-2.0467,-1.9856,1.1482,1.4534,1.8304,2.0812,2.3680000000000003,D02302_J01MB07,00060000000004c04a80070000005080010004100000008801000080000004001c00508000408020788a0618000100c0010000000004200004400082000000000d000c004000000000186000008800000080015004001008c02808c000095002000000000020001070c00000031104001806810202411000009a800102000000,0400000c00b003,030000000000000000008800000000004003000000088900000000000000000000004640402804,00000000000200000100500113452d47a0c5affa1f,1,11,20,2,0,1,31,33,-4.6160000000000005,2.42,1,,3.72758e-05,-,1.304,-,1.304,https://www.genome.jp/dbget-bin/www_bget?dr:D02302
3395,D03640, Dalbavancin (USAN/INN), Glycopeptide antibacterials,J01XA04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)CCCCCCCCC(C)C)O)O)C(=O)O)Oc1c2Oc3c(cc([C@H]([C@@H]4NC(=O)[C@@H](c5cc(c6c(O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)cc(cc6[C@@H](NC4=O)C(=O)NCCC[NH+](C)C)O)c(cc5)O)NC(=O)[C@H]4c(cc1Oc1ccc(cc1)C[C@@H]1C(=O)N[C@H](C(=O)N4)c4cc(cc(c4Cl)O)Oc4c(ccc([C@H](C(=O)N1)[NH2+]C)c4)O)c2)O)cc3)Cl,1818.71,4.4793,478.906,578.29,137,22,36,KGPGQDLTDHGEGT-JCIKCJKQSA-P,C88H102Cl2N10O28++,OCC1OC(Oc2cc(O)cc3c2c2cc(ccc2O)C2NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(Oc7cc4cc(Oc4ccc(C(C(C(=O)NC3C(=O)NCCC[NH+](C)C)NC2=O)O)cc4Cl)c7OC2OC(C(=O)O)C(C(C2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)C([NH2+]C)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)C(C(C1O)O)O,"InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/p+2/t51-,60-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1",-6.056,-6.056,-5.7091,-5.7075,-4.7345,-4.6064,2.6836,2.7278,2.8089999999999997,2.8224,3.0631,D03640_J01XA04,c82e03000066a6e81b0406108043050d6941a1b40042f218808b00c0012cc0105cc05c8ba3400017308f3c38200f5680010a42000ea0c815049400a20002821008b02f1a891438f18120a0231ec8c01710f9014000003048e0090911900930000c30002200280457004800aee11138800207a194080111200976805701a00504,0500003cf2f003,0738440304018040000088002a000040010000000005000000000000000000000000c637c02a04,000000000000310180c27a5fdb7dbde7bdffffff1f,0,42,191,9,0,24,230,242,-7.155,-4.016,18,0.0,0.97580719,+,37.9031,-,37.9031,https://www.genome.jp/dbget-bin/www_bget?dr:D03640
3396,D05271, Oritavancin diphosphate (USAN), Glycopeptide antibacterials,J01XA05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c2cc3cc1Oc1c(cc(cc1)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@@H]1c3cc(c4c([C@@H](NC(=O)[C@H]([C@@H](c5cc(c(O2)cc5)Cl)O[C@@H]2O[C@H]([C@@H]([C@@](C2)(C)[NH3+])O)C)NC1=O)C(=O)O)cc(cc4O)O)c(cc3)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)Cl)O[C@H]1[C@H](O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(C)[NH2+]Cc2ccc(cc2)c2ccc(cc2)Cl)[C@H]([C@@H]([C@H](O1)CO)O)O,1796.12,4.4612,468.384,571.76,132,20,33,VHFGEBVPHAGQPI-MYYQHNLBSA-Q,C86H100Cl3N10O26+++,OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(O)C(NC(=O)C(CC(C)C)[NH2+]C)C(=O)NC(C(=O)NC4c(c3)cc2Oc2ccc(cc2Cl)C(OC2OC(C)C(C(C2)(C)[NH3+])O)C2NC(=O)C(NC4=O)c3ccc(c(c3)c3c(O)cc(cc3C(NC2=O)C(=O)O)O)O)CC(=O)N)C(C(C1O)O)OC1OC(C)C(C(C1)(C)[NH2+]Cc1ccc(cc1)c1ccc(cc1)Cl)O,"InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/p+3/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66+,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1",-5.7843,-5.7492,-5.7162,-5.687,-5.569,-5.3862,2.7816,2.8037,2.9452,2.9603,3.0828,D05271_J01XA05,402783030066e4e01b0806008243800d6140a1b40040fe1880a900c0013c801018c05c8ba3400017208f283820035680010a42101ea0c815051000024000a21808b02e0289143cf10120a92216c8c09f00f803400000304ce0090911802930004c10002a00380456004820aed1113c880007a194080110200976805749a00304,0500003cf2f003,0738c40104018040000088002e0000c0010000000005000000000000000000000000c637c02a04,000000000000312182c24a5fdbfd9d65bdfff3ff1f,0,42,187,8,0,20,225,237,-7.729,-5.309,22,0.0,0.970416665,+,37.0625,-,37.0625,https://www.genome.jp/dbget-bin/www_bget?dr:D05271
3397,D01426, Tinidazole (JP17/USP/INN), Imidazole derivatives,J01XD02,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c(cnc1C)[N](=O)O)CCS(=O)(=O)CC,248.27900000000002,2.0298,59.0815,110.0,19,1,4,CPIHNCLBNSXAQP-UHFFFAOYSA-N,C8H14N3O4S,CCS(=O)(=O)CCn1c(C)ncc1[N](=O)O,"InChI=1S/C8H14N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3,(H,12,13)",-7.0443,-7.0054,-5.6692,-4.6051,-2.1119,-1.9374,1.0636,1.473,2.0553,2.4134,2.4784,D01426_J01XD02,2000010a00000840000846030d4008000010000010000440800000c00000000000000800000200211000001000000680000020800000400000080004008001041c000c00800002c440001400001001000090044068a00008e050000000010054000c082000000000002000004000080160041190010030201200004406400000,0100000000f101,010000000000000000000000000000000000000000009800800000000000000000000640c03a01,000080002000c55a75d5b4e429c8ea0bdbaf3eed1b,0,5,22,3,0,5,30,30,-10.067,-1.913,0,,0.042899504000000005,-,0.4953,-,0.4953,https://www.genome.jp/dbget-bin/www_bget?dr:D01426
3398,D01426, Tinidazole (JP17/USP/INN), Nitroimidazole derivatives,P01AB02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)CCS(=O)(=O)CC,248.27900000000002,2.0298,59.0815,110.0,19,1,4,CPIHNCLBNSXAQP-UHFFFAOYSA-N,C8H14N3O4S,CCS(=O)(=O)CCn1c(C)ncc1[N](=O)O,"InChI=1S/C8H14N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3,(H,12,13)",-7.0457,-7.0067,-5.6712,-4.6019,-2.066,-1.9369999999999998,1.0627,1.4644,2.0553,2.4133,2.4582,D01426_P01AB02,2000010a00000840000846030d4008000010000010000440800000c00000000000000800000200211000001000000680000020800000400000080004008001041c000c00800002c440001400001001000090044068a00008e050000000010054000c082000000000002000004000080160041190010030201200004406400000,0100000000f101,010000000000000000000000000000000000000000009800800000000000000000000640c03a01,000080002000c55a75d5b4e429c8ea0bdbaf3eed1b,0,5,22,3,0,5,30,30,-10.067,-1.913,0,,0.042899504000000005,-,0.4953,-,0.4953,https://www.genome.jp/dbget-bin/www_bget?dr:D01426
3399,D00439, Nitrofurantoin (JAN/USP/INN), Nitrofuran derivatives,J01XE01,ANTIINFECTIVES FOR SYSTEMIC USE,C1(=O)N(/N=C/c2oc(cc2)[N](=O)O)CC(=O)N1,239.165,0.7548,61.2242,124.57,14,2,6,MVYOGWXSUUGMBR-YCRREMRBSA-N,C8H7N4O5,O=C1NC(=O)N(C1)N=Cc1ccc(o1)[N](=O)O,"InChI=1S/C8H7N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,15,16)(H,10,13,14)/b9-3+",-5.6717,-4.6354,-4.5997,-3.8184,-3.5849,-2.9631,1.7614,1.7711,1.9537,2.0409,2.5287,D00439_J01XE01,0003000400c821200b008e00080000091000000a10200044000840400000000018004800000044600006032800010a0103080010001403000120008201500001120008422000002000010000008401c40030a0407410200421000010004300151a602801010041004010000000200010804e000000010a00302a22000e008808,0500000000f041,00000000000000000000800000000000004000100000a000000000000000000000000640c32a00,0000800010008941f0f404eba962d04bde6dea6b1b,0,5,16,4,0,3,24,25,-10.604000000000001,-2.444,0,,0.03846518,+,1.0369,-,1.0369,https://www.genome.jp/dbget-bin/www_bget?dr:D00439
3400,D07243, Nifurtoinol (INN), Nitrofuran derivatives,J01XE02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(o1)/C=N/N1CC(=O)N(C1=O)CO)[N](=O)O,269.191,0.0261,67.2873,136.01,17,2,7,JTEHBHSMLNEUOG-XCVCLJGOSA-N,C9H9N4O6,OCN1C(=O)CN(C1=O)N=Cc1ccc(o1)[N](=O)O,"InChI=1S/C9H9N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2,(H,17,18)/b10-3+",-5.6718,-4.6147,-4.5992,-4.0112,-3.8093,-3.0589999999999997,1.9241,1.9547,2.041,2.3364,2.5277,D07243_J01XE02,0003000400c821a00b008e00080000091000000a10200044000840400000000038004800000044600006032800010a01030800100014030001200082015000011a0018422000002000210000008401c40030a0407410200421000010004380151a602801050041004010010000200010804e000000010a00303a22000e008908,0500000c00f041,00000000000000000300800000000000004000100000a000000000000000000000000640c32a00,0000800810008941f0f416ed2972d0cbdf6faa7f1b,0,5,20,4,0,4,28,29,-10.617,-2.457,0,-1.0,0.022468764,+,1.3149,-,1.3149,https://www.genome.jp/dbget-bin/www_bget?dr:D07243
3401,D07998, Furazidin, Nitrofuran derivatives,J01XE03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(o1)/C=C/C=N/N1CC(=O)NC1=O)[N](=O)O,265.202,1.4199,71.1562,124.57,16,2,6,DDSFNFFWRDKTAE-UAIOPKHMSA-N,C10H9N4O5,O=C1NC(=O)N(C1)N=CC=Cc1ccc(o1)[N](=O)O,"InChI=1S/C10H9N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,17,18)(H,12,15,16)/b2-1+,11-5+",-5.6716,-4.6508,-4.5998,-3.8218,-3.576,-2.9585,1.7590000000000001,1.7681,1.9543,2.0402,2.5216,D07998_J01XE03,0223000400c840240b008e00600040091000005a10204044000040400000000018004800000040600006012800010a0203080010000c000001a0000201540001120010022200002000000000008401460020a0407410200423000090004380141a642015010841804010001008200010000e000000010a01302a21000e00001c,0500000000f041,10000000000000000000800000000000004000100000a000000000000000000000000640c36a00,0000800010008941f0f404ebad62d04bde6dea6b1b,0,5,19,5,0,4,28,29,-10.008,-2.468,0,2.0,0.025740102,+,1.0663,-,1.0663,https://www.genome.jp/dbget-bin/www_bget?dr:D07998
3402,D04253, Fosfomycin (USAN/INN), Other antibacterials,J01XX01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H](O1)C)P(=O)(O)O,138.059,-0.0911,26.4931,79.87,9,2,4,YMDXZJFXQJVXBF-STHAYSLISA-N,C3H7O4P,CC1OC1P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",-9.3861,-9.3664,-9.1518,-2.0574,-1.9539,-1.9438,1.2398,2.9866,3.0153,3.4687,4.4742,D04253_J01XX01,058000000000005000000000000214000040010800000000000000000000000010000000000040010000500500000000000000000000000000000000280000000800080000000000000002000000000000800040000000000000000008000000000000000000000000010000810000000000004000000000000a100000000000,0000000030a001,010000000000000000000000000000000000000000000000000000001004000000000c00402804,00802010008400019000000120820008060daad018,0,0,14,1,0,1,15,15,0.47,10.491,2,1.0,8.49773e-27,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D04253
3403,D00925, Fosfomycin tromethamine (USAN), Other antibacterials,J01XX01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H](O1)C)P(=O)(O)O,138.059,-0.0911,26.4931,79.87,9,2,4,YMDXZJFXQJVXBF-STHAYSLISA-N,C3H7O4P,CC1OC1P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",-9.3867,-9.3664,-9.1513,-2.0574,-1.9541,-1.9439,1.2399,2.9866,3.0152,3.4689,4.4743,D00925_J01XX01,058000000000005000000000000214000040010800000000000000000000000010000000000040010000500500000000000000000000000000000000280000000800080000000000000002000000000000800040000000000000000008000000000000000000000000010000810000000000004000000000000a100000000000,0000000030a001,010000000000000000000000000000000000000000000000000000001004000000000c00402804,00802010008400019000000120820008060daad018,0,0,14,1,0,1,15,15,0.473,10.488,2,2.0,8.48642e-27,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D00925
3404,D02187, Fosfomycin calcium hydrate (JP17), Other antibacterials,J01XX01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H](O1)C)P(=O)(O)O,138.059,-0.0911,26.4931,79.87,9,2,4,YMDXZJFXQJVXBF-STHAYSLISA-N,C3H7O4P,CC1OC1P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",-9.3864,-9.3669,-9.1507,-2.0574,-1.9539,-1.9439,1.2398,2.9865,3.0153,3.4687,4.4745,D02187_J01XX01,058000000000005000000000000214000040010800000000000000000000000010000000000040010000500500000000000000000000000000000000280000000800080000000000000002000000000000800040000000000000000008000000000000000000000000010000810000000000004000000000000a100000000000,0000000030a001,010000000000000000000000000000000000000000000000000000001004000000000c00402804,00802010008400019000000120820008060daad018,0,0,14,1,0,1,15,15,0.469,10.491,2,,8.74573e-27,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D02187
3405,D02188, Fosfomycin sodium (JP17), Other antibacterials,J01XX01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H](O1)C)P(=O)(O)O,138.059,-0.0911,26.4931,79.87,9,2,4,YMDXZJFXQJVXBF-STHAYSLISA-N,C3H7O4P,CC1OC1P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",-9.3867,-9.3662,-9.1514,-2.0575,-1.9539,-1.9439,1.2398,2.9865,3.0154,3.4687,4.4743,D02188_J01XX01,058000000000005000000000000214000040010800000000000000000000000010000000000040010000500500000000000000000000000000000000280000000800080000000000000002000000000000800040000000000000000008000000000000000000000000010000810000000000004000000000000a100000000000,0000000030a001,010000000000000000000000000000000000000000000000000000001004000000000c00402804,00802010008400019000000120820008060daad018,0,0,14,1,0,1,15,15,0.467,10.487,2,2.0,8.436259999999999e-27,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D02188
3406,D07995, Fosfomycin calcium, Other antibacterials,J01XX01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1([C@@H](O1)C)P(=O)(O)O,138.059,-0.0911,26.4931,79.87,9,2,4,YMDXZJFXQJVXBF-STHAYSLISA-N,C3H7O4P,CC1OC1P(=O)(O)O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",-9.3862,-9.3665,-9.1515,-2.0575,-1.9547,-1.944,1.2402,2.9869,3.0146,3.4697,4.4742,D07995_J01XX01,058000000000005000000000000214000040010800000000000000000000000010000000000040010000500500000000000000000000000000000000280000000800080000000000000002000000000000800040000000000000000008000000000000000000000000010000810000000000004000000000000a100000000000,0000000030a001,010000000000000000000000000000000000000000000000000000001004000000000c00402804,00802010008400019000000120820008060daad018,0,0,14,1,0,1,15,15,0.473,10.49,2,-1.0,8.213559999999999e-27,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D07995
3407,D07433, Xibornol (INN), Other antibacterials,J01XX02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@]12(C([C@@H](C[C@H]1c1cc(c(cc1O)C)C)CC2)(C)C)C,258.39799999999997,4.9388,81.878,20.23,27,1,1,RNRHMQWZFJXKLZ-XUWXXGDYSA-N,C18H26O,Oc1cc(C)c(cc1C1CC2C(C1(C)CC2)(C)C)C,"InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1",-0.4615,-0.4389,-0.4083,-0.392,-0.2993,-0.2983,0.2788,0.2999,0.3158,0.4444,0.4604,D07433_J01XX02,0004000000000200024002010200000000000000000002000000008000000000100040000000000100000008000100000102020000200002000000020000000008200800000000000000200002000000408800400000100840080800000900000002000000000002000000000100000000020100020100200800004100000000,0000000402b001,0f0000000000000000000000000000000000000000010000000000000000000000008200402004,00000000000000200202008400892dc001d4b5901e,0,6,41,0,0,1,45,47,-8.979,0.596,3,2.0,0.57065165,-,1.5457,-,1.5457,https://www.genome.jp/dbget-bin/www_bget?dr:D07433
3408,D07244, Clofoctol (INN), Other antibacterials,J01XX03,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(cc(c1O)Cc1ccc(cc1Cl)Cl)C(C)(CC(C)(C)C)C,365.337,7.0036,106.176,20.23,27,1,1,HQVZOORKDNCGCK-UHFFFAOYSA-N,C21H26Cl2O,Clc1ccc(c(c1)Cl)Cc1cc(ccc1O)C(CC(C)(C)C)(C)C,"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3",-0.7547,-0.4633,-0.4508,-0.3909,-0.3909,-0.3654,0.2954,0.3126,0.3172,0.45399999999999996,0.4917,D07244_J01XX03,000402000000000602000200800000008000804000001600000200a000200000100040000000000100010008000500000100020000000000000000020000000008200800000000000004200026000002008a00400000100840084800000800000002000100000002200000000100000000020100020100200800000100800000,0000000402b001,0b0000000000000000000000000000000000000000050000000000000000000000000200402000,0000000000000000020240024084054020d4b1941e,0,12,39,0,0,5,50,51,-9.13,-0.16899999999999998,0,-1.0,0.9711200590000001,+,1.3929,-,1.3929,https://www.genome.jp/dbget-bin/www_bget?dr:D07244
3409,D08526, Spectinomycin (INN), Other antibacterials,J01XX04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@H](O[C@H]3[C@@](O2)(C(=O)C[C@H](O3)C)O)[C@H]([C@@H]([C@@H]([C@@H]1[NH2+]C)O)[NH2+]C)O,334.365,-4.978,78.1672,138.67,33,5,7,UNFWWIHTNXNPBV-WXKVUWSESA-P,C14H26N2O7++,C[NH2+]C1C(O)C2OC3OC(C)CC(=O)C3(OC2C(C1O)[NH2+]C)O,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+2/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",-5.6919,-5.6874,-5.6757,-5.6649,-4.4025,-4.3839999999999995,2.55,2.6204,2.6708,3.1073,3.2194,D08526_J01XX04,000a00000000e000100004000002000020000234000200000000000000040010140010088000001730020010200010000100000000a0c013000000804000a00008902b3808100000000088030080001400d0014000002000a001000100202000400000080038000000002000c0003c8000058180000110000000000140000000,1500022c30e001,032840010400814100000000000000000000000000000000000000000000000000004400c02a05,000000000000310180800853138184441c7df3fa1d,0,0,50,1,0,2,49,51,-15.943,-7.26,9,2.0,1.8295699999999998e-10,-,1.2955,-,1.2955,https://www.genome.jp/dbget-bin/www_bget?dr:D08526
3410,D00869, Spectinomycin hydrochloride (USP), Other antibacterials,J01XX04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12[C@H](O[C@H]3[C@@](O2)(C(=O)C[C@H](O3)C)O)[C@H]([C@@H]([C@@H]([C@@H]1[NH2+]C)O)[NH2+]C)O,334.365,-4.978,78.1672,138.67,33,5,7,UNFWWIHTNXNPBV-WXKVUWSESA-P,C14H26N2O7++,C[NH2+]C1C(O)C2OC3OC(C)CC(=O)C3(OC2C(C1O)[NH2+]C)O,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+2/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",-5.7021,-5.6944,-5.6719,-5.6473,-4.4146,-4.3921,2.603,2.6035,3.2062,3.2237,3.2833,D00869_J01XX04,000a00000000e000100004000002000020000234000200000000000000040010140010088000001730020010200010000100000000a0c013000000804000a00008902b3808100000000088030080001400d0014000002000a001000100202000400000080038000000002000c0003c8000058180000110000000000140000000,1500022c30e001,032840010400814100000000000000000000000000000000000000000000000000004400c02a05,000000000000310180800853138184441c7df3fa1d,0,0,50,1,0,2,49,51,-15.943,-7.26,9,1.0,1.8201599999999997e-10,-,1.2955,-,1.2955,https://www.genome.jp/dbget-bin/www_bget?dr:D00869
3411,D00393, Methenamine (USP/INN), Other antibacterials,J01XX05,ANTIINFECTIVES FOR SYSTEMIC USE,[N@@H+]12C[N@H+]3C[N@@H+](C1)C[N@@H+](C2)C3,144.218,-0.4114,55.7088,17.76,16,4,0,VKYKSIONXSXAKP-UHFFFAOYSA-R,C6H16N4++++,C1[NH+]2C[NH+]3C[NH+]1C[NH+](C2)C3,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/p+4,-9.4812,-9.4809,-9.4808,-9.4808,-9.4807,-9.4805,6.0045,6.0046,6.0047,6.0049,6.005,D00393_J01XX05,0000000001100000000004000000000000000000000000000000000000000000000000000000000000000200000100000000000000000000000000000000000000000000000000000000000000000000000000000200200400000000000000000020000000000000000000000000000000080000000000000000000000000000,0100000000e001,000000000000000000000000000000000000000000000000000000000000000000008400c00204,0000000800041100009032021a0180830423492115,0,0,28,0,0,0,26,28,-31.403000000000002,-18.379,0,1.0,0.0,+,0.9613,-,0.9613,https://www.genome.jp/dbget-bin/www_bget?dr:D00393
3412,D00855, Methenamine hippurate (JAN/USP), Other antibacterials,J01XX05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(=O)NCC(=O)O)ccccc1,179.173,0.8919,46.016999999999996,66.4,12,2,4,QIAFMBKCNZACKA-UHFFFAOYSA-N,C9H9NO3,O=C(c1ccccc1)NCC(=O)O,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",-4.5515,-4.4265,-4.1342,-3.8389,-3.6574,-2.7867,1.6463,2.2448,2.3625,2.4776,2.5896,D00855_J01XX05,00020000004004a001000600000100000000008000000000000000c0000000000c00400000000002008e020800000000000000000000000000000002000000100800080000040000000000000288000200a000400000200040080000000000000010000200000000000000008000000000060100000100000048000008800000,0400000c00b003,0000000000000000000088000a0000000001000000000000000000000000000000000240402800,000000000000200000000248882010048c04427f1f,0,6,14,2,0,4,22,22,-4.931,2.444,0,4.0,3.3741100000000003e-07,-,0.2743,-,0.2743,https://www.genome.jp/dbget-bin/www_bget?dr:D00855
3413,D00856, Methenamine mandelate (USP), Other antibacterials,J01XX05,ANTIINFECTIVES FOR SYSTEMIC USE,c1ccccc1[C@@H](O)C(=O)O,152.14700000000002,0.8046,39.1486,57.53,10,2,3,IWYDHOAUDWTVEP-SSDOTTSWSA-N,C8H8O3,OC(c1ccccc1)C(=O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1",-4.5261,-4.4234,-3.2846,-2.7522,-2.6774,-1.8926,1.5394,1.5559,2.3509,2.4908,2.5692,D00856_J01XX05,00040000002000400200020000000000000000000000000000000080000000001000400000000005200a000800000000000000000000000000000002000000080800080000000440000000000080000100d000400000000840080800000100000000000000000000004000004000000000020100000100000000000000000000,0400002c00b003,002800000000000000008800000000200000000000000000000000000000000000000200402804,00000000000020008000000000000004040482521e,0,6,12,1,0,2,19,19,-4.46,3.7680000000000002,1,0.0,1.1722999999999998e-07,-,0.1596,-,0.1596,https://www.genome.jp/dbget-bin/www_bget?dr:D00856
3414,D08199, Methenamine sulfosalicylate, Other antibacterials,J01XX05,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(cc(c(c1)O)C(=O)O)S(=O)(=O)O,218.18400000000003,1.4179,45.2831,120.28,10,3,6,YCPXWRQRBFJBPZ-UHFFFAOYSA-N,C7H6O6S,OC(=O)c1cc(ccc1O)S(=O)(=O)O,"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)",-9.6684,-9.6616,-9.1181,-4.4067,-4.2581,-2.5878,2.3581,2.4054,2.5876,2.5929,2.6266,D08199_J01XX05,20000140000000c20000020000000008800000400000000000000080000000000c00400800000000200a020800000080002002000000000000000002000000000820080080022080020000000280000000800060002000004008080000090002000a00000000000200400300200100000002d100088100200a48800000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000022000000000000000240403800,00000000c080549e140181012082014c86ccaa521e,0,6,11,3,0,2,20,20,-2.435,7.077999999999999,0,-1.0,7.65586e-17,+,0.2744,-,0.2744,https://www.genome.jp/dbget-bin/www_bget?dr:D08199
3415,D07245, Nitroxoline (INN), Other antibacterials,J01XX07,ANTIINFECTIVES FOR SYSTEMIC USE,c1ccc2c(n1)c(ccc2[N](=O)O)O,191.16299999999998,2.2632,51.0075,82.78,11,2,2,SOICAKHXRGTBQE-UHFFFAOYSA-N,C9H7N2O3,O[N](=O)c1ccc(c2c1cccn2)O,"InChI=1S/C9H7N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H,(H,13,14)",-5.3059,-4.2983,-2.0504,-1.9172,-1.3811,-1.1412,0.8718,0.9027,0.9825,1.7611,2.0462,D07245_J01XX07,400000040000040000000600000000044000000080800400000000400004000000000080000080200880000800000240000002000000200000000000000000001c000400400110600000400002080100008000000400000c60080000000000140000200000800002040000000000040000020000004000601800000222000000,0100000402f001,000000000000000000000000000000000000000000019000000000000000000000004640c02a00,0000800000008140718000603201414b56658b781f,0,11,10,1,0,1,21,22,-9.751,-1.672,0,-2.0,0.060285199000000005,+,0.4092,-,0.4092,https://www.genome.jp/dbget-bin/www_bget?dr:D07245
3416,D00947, Linezolid (JAN/USAN/INN), Other antibacterials,J01XX08,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(c(cc(c1)N1C[C@@H](OC1=O)CNC(=O)C)F)N1CCOCC1,337.346,1.6445,91.0587,71.11,27,1,7,TYZROVQLWOKYKF-ZDUSSCGKSA-N,C16H20FN3O4,CC(=O)NCC1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",-5.2645,-4.3541,-3.8555,-3.8401,-3.8058,-3.5138,1.4664,1.53,1.5583,1.6644,2.3349,D00947_J01XX08,000200000000008011800680008200008100000000008018020008000004000018000000022000b2900e0c180000106000024000000800080000800000840610080118004810020000121000028001000080006004202c0060490000040200140000000000000000108000008001002000060082001210000054400002400000,0400000030b021,0180400001000000000080000a0000000040000100080000000000000000000000000600402804,0000400000020021008476ca0a76b8c7f9ebefff1f,1,6,38,2,0,5,44,46,-8.883,-0.138,1,1.0,0.060173355,-,1.0316,-,1.0316,https://www.genome.jp/dbget-bin/www_bget?dr:D00947
3417,D01080, Daptomycin (JAN/USAN/INN), Other antibacterials,J01XX09,ANTIINFECTIVES FOR SYSTEMIC USE,CCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]1[C@H](OC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CCC[NH3+])CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N)C)CC(=O)O)CC(=O)N)Cc1c[nH]c2c1cccc2,1621.68,-0.5343,435.126,703.64,139,22,41,DOAKLVKFURWEDJ-YMBNMTEUSA-O,C72H102N17O26+,[NH3+]CCCC1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)C(C)OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)C)CC(=O)O)CO)C(CC(=O)O)C)CC(=O)c1ccccc1N,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/p+1/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49-,50-,60+,61+/m1/s1",-5.3746,-5.3694,-5.3619,-5.1411,-5.0615,-4.8104,2.6591,2.6701,2.6841,2.7296,2.9294,D01080_J01XX09,202ec020004206a01f0006000202000c010000100080800800000080013c04301c00509383008033388e3e3820010040010200001824e000010100020000a6100c100c0048101a80012868013a88001e00b0034004003008c0090b00800860000c000020002000030000210080121c00100781c502031000007e000142000700,1500001c30f027,0718c008040001000000a8002e0000404003000000008400000000000000000000004640c03a05,000000000000310101c00ecf9979bec5ddfff7ff1f,0,16,184,20,0,39,217,220,-1.3359999999999999,1.256,13,1.0,,-,59.1595,-,59.1595,https://www.genome.jp/dbget-bin/www_bget?dr:D01080
3418,D09685, Tedizolid (USAN/INN), Other antibacterials,J01XX11,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1F)c1cnc(cc1)c1nn(nn1)C)N1C[C@@H](OC1=O)CO,370.338,1.4607,95.1818,106.26,23,1,9,XFALPSLJIHVRKE-GFCCVEGCSA-N,C17H15FN6O3,OCC1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C,"InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1",-5.2548,-4.3933,-3.8655,-3.5138,-3.4805,-2.6112,1.6204,1.6546,1.6653,1.7178,1.8685,D09685_J01XX11,00020008200200d0018006800cc34000c10000004002003c02002880010804001840400882b08137108d121800031640020040300008a40c04088003008206004c201c824010020000901000808801004088016004802c807048000004230014000008000000000018800004a011042010060112005710401958400006600000,0000001c30b001,001800000000000000000000000000000040000100089800000000000000000000000600403004,0000400020020821a1d456f20b36904f7ae7abff1f,1,17,27,1,0,4,42,45,-9.408,-0.845,1,-3.0,0.053631943,+,1.5692,-,1.5692,https://www.genome.jp/dbget-bin/www_bget?dr:D09685
3419,D09686, Tedizolid phosphate (USAN), Other antibacterials,J01XX11,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1F)c1cnc(cc1)c1nn(nn1)C)N1C[C@@H](OC1=O)COP(=O)(O)O,450.31800000000004,1.5777,106.09200000000001,162.6,25,2,12,QCGUSIANLFXSGE-GFCCVEGCSA-N,C17H16FN6O6P,O=C1OC(CN1c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C)COP(=O)(O)O,"InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1",-10.5454,-10.5435,-10.2468,-7.5193,-5.2473,-4.3941,3.0386,3.0434,3.0452,3.4297,5.0775,D09686_J01XX11,00820008200280d0098006800cc34000c10001004002003e02002880010804001840400882b18137108d121c00031640025040300008a40c0408800320820e004c2a1c824010020020901200808801004088016004802c807048000004630014000008000040000018800004a411042010060113105710401958400006600000,0000000030b001,000000000000000000000000000000000040000100089800000000000010200000000600403804,0000401020860821b1d454f22bb6906ffeefabff1f,1,17,31,2,0,6,47,50,0.278,1.629,1,-1.0,5.086569999999999e-12,+,1.8272,-,1.8272,https://www.genome.jp/dbget-bin/www_bget?dr:D09686
3420,D00350, Itraconazole (JP17/USAN), Triazole derivatives,J02AC02,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(ccc1OC[C@@H]1O[C@](OC1)(c1ccc(cc1Cl)Cl)Cn1cncn1)N1CCN(CC1)c1ccc(cc1)n1c(=O)n([nH]c1)[C@@H](CC)C,706.6410000000001,5.9215,195.497,107.6,47,1,11,ZXNQXEQJIDQSJN-DFMJLFEVSA-N,C35H39Cl2N8O4,CCC(n1[nH]cn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C,"InChI=1S/C35H39Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31,40H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1",-4.5207,-3.9552,-3.9222,-3.5768,-3.4054,-3.2395,1.9119,1.9621,2.2677,2.449,2.5218,D00350_J02AC02,00c70202010080c00b008e000082000da008802500000c0000221080002431101a00408f6020026760050738381510c0031022000200401d00004002009024000c202902c112202100245900a6908002008900400c00380ae00a0881002120004b6000000428000224c0000250104800800e8184280110e0081280000ec00004,0000040070b061,030042000100804003000000000000000040000400049800000000000000000000000600403004,000000081000082191d476e74bfeb7ef7bebffff1f,0,23,71,1,0,11,89,95,-9.892000000000001,-5.542000000000001,3,,0.125704333,+,6.5902,-,6.5902,https://www.genome.jp/dbget-bin/www_bget?dr:D00350
3421,D00578, Voriconazole (JP17/USAN/INN), Triazole derivatives,J02AC03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@](c1c(cc(cc1)F)F)([C@H](c1c(cncn1)F)C)(Cn1cncn1)O,349.31,2.1769,81.1878,76.72,19,1,6,BCEHBSKCWLPMDN-MGPLVRAMSA-N,C16H14F3N5O,Fc1ccc(c(c1)F)C(C(c1ncncc1F)C)(Cn1cncn1)O,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",-3.1283,-3.1124,-2.8741,-2.7864,-2.3692,-2.1882,1.1704,1.2489,1.4655,2.3088,2.456,D00578_J02AC03,a00f0020000000c00a80460004000004210100010000001060020081002800001001408d4000802360001018040500a00100300008004000804200160082000d0c000c008000aa000010900000000008008801c00c801008c008090000091000000006000000000014c00000c00e080400060546001110c0080a800006000002,0000004c00b001,054800000000000000000000000000000000000000089800000000000000000000000600403004,000000000002080003d444e08bc4880b28a5a9bd1f,3,17,24,0,0,5,39,41,-10.041,-0.574,2,,0.241955012,+,0.9177,-,0.9177,https://www.genome.jp/dbget-bin/www_bget?dr:D00578
3422,D02555, Posaconazole (USAN/INN), Triazole derivatives,J02AC04,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(ccc1n1c(=O)n([nH]c1)[C@H]([C@@H](O)C)CC)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1C[C@](OC1)(c1c(cc(cc1)F)F)Cn1ncnc1,701.785,4.9174,195.083,118.6,51,2,11,CXLQMIWXWWKRBJ-NTAUFNCHSA-N,C37H43F2N8O4,CCC(n1[nH]cn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OCC1COC(C1)(Cn1cncn1)c1ccc(cc1F)F)C(O)C,"InChI=1S/C37H43F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,42,48H,3,14-17,19-22H2,1-2H3/t26-,27-,35-,37+/m0/s1",-4.6349,-3.5599,-3.3681,-3.2384,-2.9871,-2.9867,1.8203,1.8931,2.2768,2.425,2.5289,D02555_J02AC04,00c70002010000c00b808e000082000da108000100000c2060201080000431101a00408f6020026370040738220110c0031032000000401d800240020082a4250c200802c11228310030f90122908100008001c00c00380ac04a0981000900000b2000000400000214c00002d0176800800f01862a2110e0085280011e400004,0000002c70b061,07a842000100000003000000000000000040000400089800000000000000000000000600403004,000000081002182113d476e70bf6bbeb7fefffff1f,2,23,77,1,0,12,95,101,-9.878,-5.417999999999999,4,,0.075110704,+,5.8813,-,5.8813,https://www.genome.jp/dbget-bin/www_bget?dr:D02555
3423,D07626, Caspofungin (INN), Other antimycotics for systemic use,J02AX04,ANTIINFECTIVES FOR SYSTEMIC USE,N12C(=O)[C@H](NC(=O)[C@H](C[C@H]([C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1C[C@H](C2)O)[C@H](O)[C@@H](O)c1ccc(cc1)O)[C@@H](CC[NH3+])O)CC[C@@H]3O)[NH2+]CC[NH3+])O)NC(=O)CCCCCCCC[C@@H](C[C@@H](CC)C)C)[C@@H](C)O,1096.34,-4.1898,308.217,419.85,113,16,22,JYIKNQVWKBUSNH-AINDPPMWSA-Q,C52H91N10O15+++,[NH3+]CCC(C1NC(=O)C(NC(=O)C2CC(CN2C(=O)C(NC(=O)C(CC(C(NC(=O)C2N(C1=O)CCC2O)[NH2+]CC[NH3+])O)NC(=O)CCCCCCCCC(CC(CC)C)C)C(O)C)O)C(C(c1ccc(cc1)O)O)O)O,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/p+3/t28-,29+,30-,33-,34+,35+,36-,37+,38-,40-,41+,42-,43+,44+,45+,46+/m1/s1",-6.8348,-5.8881,-5.7018,-5.6674,-5.3827,-5.3782,2.7059,2.7409,3.0719,3.1526,3.5708,D07626_J02AX04,002e400000400a600b000600000000080000001000005200000000800300010018005002830000073006153800010000010202004020c000000000021000001808000c0000001c80032020001ab0001600b0034000003008c0080a0000093000082000200400000210400000c0001000000e0104020110200872000100000500,0500002c02f001,0728c00004010000000080002a0000400000000000010000000000000000000000004600c02a04,000000002004310080501ecf8969bfc39d7ffeff1f,0,6,158,7,0,24,168,171,-13.732999999999999,-9.125,16,1.0,3.76292e-12,-,14.6936,-,14.6936,https://www.genome.jp/dbget-bin/www_bget?dr:D07626
3424,D02501, Caspofungin acetate (JAN/USAN), Other antimycotics for systemic use,J02AX04,ANTIINFECTIVES FOR SYSTEMIC USE,N12C(=O)[C@H](NC(=O)[C@H](C[C@H]([C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1C[C@H](C2)O)[C@H](O)[C@@H](O)c1ccc(cc1)O)[C@@H](CC[NH3+])O)CC[C@@H]3O)[NH2+]CC[NH3+])O)NC(=O)CCCCCCCC[C@@H](C[C@@H](CC)C)C)[C@@H](C)O,1096.34,-4.1898,308.217,419.85,113,16,22,JYIKNQVWKBUSNH-AINDPPMWSA-Q,C52H91N10O15+++,[NH3+]CCC(C1NC(=O)C(NC(=O)C2CC(CN2C(=O)C(NC(=O)C(CC(C(NC(=O)C2N(C1=O)CCC2O)[NH2+]CC[NH3+])O)NC(=O)CCCCCCCCC(CC(CC)C)C)C(O)C)O)C(C(c1ccc(cc1)O)O)O)O,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/p+3/t28-,29+,30-,33-,34+,35+,36-,37+,38-,40-,41+,42-,43+,44+,45+,46+/m1/s1",-6.9152,-5.8214,-5.7101,-5.6286,-5.3769,-5.376,2.6499,2.6614,2.6866,2.8067,2.8674,D02501_J02AX04,002e400000400a600b000600000000080000001000005200000000800300010018005002830000073006153800010000010202004020c000000000021000001808000c0000001c80032020001ab0001600b0034000003008c0080a0000093000082000200400000210400000c0001000000e0104020110200872000100000500,0500002c02f001,0728c00004010000000080002a0000400000000000010000000000000000000000004600c02a04,000000002004310080501ecf8969bfc39d7ffeff1f,0,6,158,7,0,24,168,171,-13.74,-9.121,16,1.0,3.68781e-12,-,14.6936,-,14.6936,https://www.genome.jp/dbget-bin/www_bget?dr:D02501
3425,D08218, Micafungin (INN), Other antimycotics for systemic use,J02AX05,ANTIINFECTIVES FOR SYSTEMIC USE,N12[C@@H](C[C@H](C1)O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H]([C@@H](C[C@@H](C(=O)N[C@@H](C2=O)[C@H](O)C)NC(=O)c2ccc(cc2)c2cc(on2)c2cccc(c2)OCCCCC)O)O)[C@H]([C@@H](C1)C)O)[C@@H](CC(=O)N)O)[C@H](O)[C@@H](O)c1ccc(c(c1)OS(=O)(=O)O)O,1270.27,-0.539,326.967,518.52,101,16,32,BEZWJTLYQQPLND-JREGFNEJSA-N,C56H71N9O23S,CCCCCOc1cccc(c1)c1onc(c1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(c(c1)OS(=O)(=O)O)O)O)O)C(CC(=O)N)O)C,"InChI=1S/C56H71N9O23S/c1-4-5-6-16-86-32-9-7-8-29(17-32)39-21-33(63-87-39)27-10-12-28(13-11-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-14-15-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-15,17-18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,16,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26-,31-,34+,35+,37-,38-,42-,43+,44-,45+,46+,47+,48+,52+/m1/s1",-11.0915,-10.4685,-10.2079,-4.783,-4.3416,-4.3075,2.7001,2.8909,2.8963,2.9254,3.0918,D08218_J02AX05,202ec140005004e00b040600064300084100409920005200000000c001001000bd105802d3028017609716380021a000011212100000c80400940002400a82180ea05c0021041c91c33024013288809680b0836000e03008c0088b00000bb200093804220000008292e01142e1109a20010751660a031a20087a024f00a00704,0400002c52b001,0728020000010000030080002e000040000100000001b000000801000000000000004640402804,00000000c084703bd5419cefa9fbbf6b9fffffff1f,0,23,133,10,0,19,160,166,-6.257999999999999,-0.298,15,0.0,0.095409945,+,20.7889,-,20.7889,https://www.genome.jp/dbget-bin/www_bget?dr:D08218
3426,D02465, Micafungin sodium (JAN/USAN), Other antimycotics for systemic use,J02AX05,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(cc(c1O)OS(=O)(=O)O)[C@@H]([C@H]([C@@H]1NC(=O)[C@H]2N(C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)c3ccc(cc3)c3noc(c3)c3ccc(cc3)OCCCCC)C[C@H]([C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC1=O)[C@@H](CC(=O)N)O)C[C@@H]([C@@H]3O)C)O)O)C[C@@H](C2)O)O)O,1270.27,-0.539,326.967,518.52,101,16,32,PIEUQSKUWLMALL-YABMTYFHSA-N,C56H71N9O23S,CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(c(c1)OS(=O)(=O)O)O)O)O)C(CC(=O)N)O)C,"InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1",-10.9643,-10.5799,-10.1723,-4.8096,-4.3595,-4.3436,2.6519,2.6711,2.7877,2.9128,3.1342,D02465_J02AX05,202ec140004004e00b040600064300084100409920005200000000c001001000bd105802d3028017608716380021a000010212100000c00400940002000a82180ea05c0021041c91433020013288809680b0836000e03008c0088b00000bb200093804220000048292e01142e1109a20010741660a031a20187a024f00a00704,0400002c52b001,0728020000010000030080002e000040000100000001b000000801000000000000004640402804,00000000c084703bd5419cefa9fbbf6b9fffffff1f,0,23,133,10,0,19,160,166,-7.031000000000001,-0.024,15,-1.0,0.118661016,+,20.8366,-,20.8366,https://www.genome.jp/dbget-bin/www_bget?dr:D02465
3427,D03211, Anidulafungin (USAN), Other antimycotics for systemic use,J02AX06,ANTIINFECTIVES FOR SYSTEMIC USE,N12C(=O)[C@H](NC(=O)[C@H](C[C@H]([C@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1C[C@H](C2)O)[C@H](O)[C@@H](O)c1ccc(cc1)O)[C@@H](C)O)C[C@@H]([C@@H]3O)C)O)O)NC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCCCCC)[C@@H](C)O,1140.24,0.6548,316.97,377.42,97,14,24,JHVAMHSQVVQIOT-MMJUWQSGSA-N,C58H73N7O17,CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(cc1)O)O)O)C(O)C)C,"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44+,45-,46+,47-,48-,49-,50-,54+/m0/s1",-4.3944,-4.3511,-4.3211,-4.3106,-4.2555,-4.1221,2.5909,2.6364,2.6660000000000004,2.7134,2.7654,D03211_J02AX06,002e4000004004e00b000600004300084000009000005200000000c0010000003c005002830000176087163800010000010202100000c004000000020000821808201c0001041c91032020013288809600b0034000003008c0080900000bb000081000220000040210c00102c0101800000701440a011020087a000100a00504,0400002c52b001,0728020000010000030080002a0000400001000000010000000000000000000000004640402804,0000000000043020804014cf8979bf639d7fffff1f,0,24,130,7,0,15,155,161,-9.641,-0.51,15,,0.96556592,+,15.3612,-,15.3612,https://www.genome.jp/dbget-bin/www_bget?dr:D03211
3428,D00162, Aminosalicylic acid (USP), Aminosalicylic acid and derivatives,J04AA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc(cc1)N)O)C(=O)O,153.135,1.2538,39.8287,83.55,10,3,4,WUBBRNOQWQTFEX-UHFFFAOYSA-N,C7H7NO3,Nc1ccc(c(c1)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",-5.1068,-5.1002,-4.3962,-4.2595,-2.3026,-1.6579,1.3051,1.3691,1.4332,1.9519,2.3442,D00162_J04AA01,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400004020000000000000000020000000008200800400000000000000002800000008000400400000040080000000100000008000000000002004002000000000000020980000100200808008002000000,0400000c02b023,00004008000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000008010100014454c4e27a1f,0,6,11,1,0,1,18,18,-4.859,4.3469999999999995,0,1.0,3.7571e-08,-,0.1849,-,0.1849,https://www.genome.jp/dbget-bin/www_bget?dr:D00162
3429,D00875, Aminosalicylate sodium (USP), Aminosalicylic acid and derivatives,J04AA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc(cc1)N)O)C(=O)O,153.135,1.2538,39.8287,83.55,10,3,4,WUBBRNOQWQTFEX-UHFFFAOYSA-N,C7H7NO3,Nc1ccc(c(c1)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",-5.1068,-5.1002,-4.3962,-4.2595,-2.3026,-1.6579,1.3051,1.3691,1.4332,1.9519,2.3442,D00875_J04AA01,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400004020000000000000000020000000008200800400000000000000002800000008000400400000040080000000100000008000000000002004002000000000000020980000100200808008002000000,0400000c02b023,00004008000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000008010100014454c4e27a1f,0,6,11,1,0,1,18,18,-4.859,4.343,0,0.0,3.75995e-08,-,0.1654,-,0.1654,https://www.genome.jp/dbget-bin/www_bget?dr:D00875
3430,D00875, Aminosalicylate sodium (USP), Aminosalicylic acid and derivatives,J04AA02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc(cc1)N)O)C(=O)O,153.135,1.2538,39.8287,83.55,10,3,4,WUBBRNOQWQTFEX-UHFFFAOYSA-N,C7H7NO3,Nc1ccc(c(c1)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",-5.1068,-5.1002,-4.3962,-4.2595,-2.3026,-1.6579,1.3051,1.3691,1.4332,1.9519,2.3442,D00875_J04AA02,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400004020000000000000000020000000008200800400000000000000002800000008000400400000040080000000100000008000000000002004002000000000000020980000100200808008002000000,0400000c02b023,00004008000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000008010100014454c4e27a1f,0,6,11,1,0,1,18,18,-4.859,4.343,0,0.0,3.75995e-08,-,0.1654,-,0.1654,https://www.genome.jp/dbget-bin/www_bget?dr:D00875
3431,D05460, Phenyl aminosalicylate (USAN), Aminosalicylic acid and derivatives,J04AA01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(c(cc(cc1)N)O)C(=O)Oc1ccccc1,229.231,2.7748,64.2699,72.55,15,2,4,DNVVZWSVACQWJE-UHFFFAOYSA-N,C13H11NO3,Nc1ccc(c(c1)O)C(=O)Oc1ccccc1,"InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2",-5.1069,-5.1067,-4.2774,-2.0072,-1.6604,-1.5230000000000001,0.8109,1.15,1.3654,1.4466,1.6369,D05460_J04AA01,00000010000000c00000060000020000000000000000000000200080000000000410c00000000030200a0208000000400004020000000000000000020008020008200802410001010000010002808000008000400400000040080000000100000028000000000002004002000010000000020980080100200808008002000004,0400000452b025,00004008000000000000900000000000c001000000010000000000000000000000000240403000,0000000000001000000008010100016454c4e37a1f,0,12,16,1,0,3,28,29,-9.041,-0.057,0,1.0,0.072768413,+,0.2115,-,0.2115,https://www.genome.jp/dbget-bin/www_bget?dr:D05460
3432,D03368, Calcium para-aminosalicylate (JP17), Aminosalicylic acid and derivatives,J04AA03,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(c(ccc1N)C(=O)O)O,153.135,1.2538,39.8287,83.55,9,3,4,WUBBRNOQWQTFEX-UHFFFAOYSA-N,C7H7NO3,Nc1ccc(c(c1)O)C(=O)O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",-5.1066,-5.1005,-4.3963,-4.2593,-2.3027,-1.6579,1.3051,1.3691,1.4332,1.9519,2.3443,D03368_J04AA03,00000000000000c00000060000000000000000000000000000000080000000000400400000000020200a0208000000400004020000000000000000020000000008200800400000000000000002800000008000400400000040080000000100000008000000000002004002000000000000020980000100200808008002000000,0400000c02b023,00004008000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000008010100014454c4e27a1f,0,6,11,1,0,1,18,18,0.78,9.312999999999999,0,,2.5266900000000002e-08,-,0.1532,-,0.1532,https://www.genome.jp/dbget-bin/www_bget?dr:D03368
3433,D00877, Cycloserine (JP17/USP/INN), Antibiotics,J04AB01,ANTIINFECTIVES FOR SYSTEMIC USE,C1ONC(=O)[C@@H]1[NH3+],103.1,-2.0129,26.3878,65.97,10,2,3,DYDCUQKUCUHJBH-UWTATZPHSA-O,C3H7N2O2+,C1ONC(=O)C1[NH3+],"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/p+1/t2-/m1/s1",-5.3851,-5.3684,-5.3491,-4.6215,-3.8216,-2.8325,1.7398,1.7458,1.7647,1.7791,2.4592,D00877_J04AB01,00000000000000000c00040000010040000000000000000040000040000000001008000000000003000608300000000000000c0000008000000000000000000018800802000000000000000000880090013000400000000000000000008000000000000000000000000040000000000000040000000000401000000000000000,0500000000e001,0000c0000400000000008000004000000000000000000000000000000000000000000400c00a04,0000800000003101d0c004eba17090491461607b19,0,0,13,1,0,0,14,14,-14.572000000000001,-5.1,1,,1.9911800000000001e-10,+,0.4706,-,0.4706,https://www.genome.jp/dbget-bin/www_bget?dr:D00877
3434,D00211, Rifampin (USP), Antibiotics,J04AB02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)c(c(c4c3C2=O)O)/C=N/N1CC[N@@H+](CC1)C)O)O)C)C)C)C)O,823.948,4.5634,235.188,221.35,74,7,15,JQXXHWHPUNPDRT-JHURUABYSA-O,C43H59N4O12+,COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CC[NH+](CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/p+1/b12-11+,19-14+,22-13-,44-20+/t21-,23-,24+,25-,29-,34-,35+,39+,43-/m0/s1",-6.0419,-4.6515,-4.5969999999999995,-4.5738,-4.4236,-4.1309,1.7666,1.9116,2.2912,2.3974,2.4989,D00211_J04AB02,1806010600a402e40b020e0058c34509841040a058485f60000a4080204400001680400220a00461880e023820411c40012e0200906c490d018100b2840086281e703828450406030020912222808280f8d9006014023c4849085811000b210142560403000043424100024241504870810701d409019120088804c30f520004,1500042c72f005,15a84002040081400002900020000000400100000001000020000000000000000000c640c37a05,0000000000003b0180ec36fd9fe1fdefd5fffffb1f,0,11,104,7,0,5,118,122,-10.121,-4.013999999999999,9,,0.052767869,+,6.627000000000001,-,6.627000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00211
3435,D08479, Rifampicin sodium, Antibiotics,J04AB02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)c(c(c4c3C2=O)O)/C=N/N1CC[N@@H+](CC1)C)O)O)C)C)C)C)O,823.948,4.5634,235.188,221.35,74,7,15,JQXXHWHPUNPDRT-JHURUABYSA-O,C43H59N4O12+,COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CC[NH+](CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/p+1/b12-11+,19-14+,22-13-,44-20+/t21-,23-,24+,25-,29-,34-,35+,39+,43-/m0/s1",-6.0474,-4.6346,-4.5651,-4.5383,-4.422,-4.1416,1.9003,1.9298,2.2402,2.2952,2.4906,D08479_J04AB02,1806010600a402e40b020e0058c34509841040a058485f60000a4080204400001680400220a00461880e023820411c40012e0200906c490d018100b2840086281e703828450406030020912222808280f8d9006014023c4849085811000b210142560403000043424100024241504870810701d409019120088804c30f520004,1500042c72f005,15a84002040081400002900020000000400100000001000020000000000000000000c640c37a05,0000000000003b0180ec36fd9fe1fdefd5fffffb1f,0,11,104,7,0,5,118,122,-10.141,-4.039,9,-1.0,0.046655722000000004,+,6.627000000000001,-,6.627000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D08479
3436,D02549, Rifamycin (USAN/INN), Antibiotics,J04AB03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.42,-4.1352,-3.5067,-2.9908,-2.8810000000000002,-2.8236,1.6241,1.7204,1.7253,1.8949,2.5055,D02549_J04AB03,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.055,-1.01,9,,0.353853941,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D02549
3437,D02549, Rifamycin (USAN/INN), Antibiotics,S01AA16,SENSORY ORGANS,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.4365,-4.1264,-3.5021,-3.0022,-2.8826,-2.7951,1.6187,1.6441,1.7383,1.9051,2.1362,D02549_S01AA16,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.055,-1.01,9,,0.353853941,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D02549
3438,D02549, Rifamycin (USAN/INN), Antiinfectives,S02AA12,SENSORY ORGANS,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.4445,-4.1313,-3.5006,-2.9858,-2.8814,-2.8471,1.618,1.6953,1.7261,1.8951,2.4955,D02549_S02AA12,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.055,-1.01,9,,0.353853941,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D02549
3439,D08480, Rifamycin sodium (USAN), Antibiotics,J04AB03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.4272,-4.1329,-3.4997,-2.984,-2.8819,-2.8089999999999997,1.6202,1.6614,1.7412,1.8975,2.4963,D08480_J04AB03,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.102,-1.065,9,1.0,0.39688566299999994,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D08480
3440,D08480, Rifamycin sodium (USAN), Antibiotics,S01AA16,SENSORY ORGANS,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.4207,-4.1246,-3.5054,-3.005,-2.8838,-2.8355,1.6212,1.7044,1.7061,1.7641,1.9114,D08480_S01AA16,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.102,-1.065,9,1.0,0.39688566299999994,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D08480
3441,D08480, Rifamycin sodium (USAN), Antiinfectives,S02AA12,SENSORY ORGANS,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)cc(c4c3C2=O)O)O)O)C)C)C)C)O,697.7689999999999,4.8921,190.03099999999998,201.31,60,6,13,HJYYPODYNSCCOU-FUZDMWCKSA-N,C37H47NO12,COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18-,19+,20-,25-,29-,30+,33+,37-/m0/s1",-4.4153,-4.1294,-3.5075,-2.9994,-2.8854,-2.8581,1.6311,1.749,1.8506,1.9059,1.9059,D08480_S02AA12,1806010600a402a40b000e0040c34501840040a048485e2000000080200400001680400000a00061880e021820411440012e02009060490d008100b2840086281c702828450406030000912222808280f8d1006004023c484808580100082101401600000000024201000242411008700107019009019120088804c303520004,1400042c72b005,15a80000000081400002900020000000400100000001000000000000000000000000c640437805,0000000000003201800804d915a19165c4ddf3fa1f,0,11,83,6,0,3,97,100,-8.102,-1.065,9,1.0,0.39688566299999994,+,4.5934,-,4.5934,https://www.genome.jp/dbget-bin/www_bget?dr:D08480
3442,D00424, Rifabutin (JAN/USP/INN), Antibiotics,J04AB04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4C(=O)C(=C5C(=N[C@]6(N5)CC[N@@H+](CC6)CC(C)C)c4c3C2=O)NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)O)C)C)C)C)O,848.013,4.861000000000001,245.71599999999998,206.75,77,6,14,ATEBXHFBFRCZMA-GKADUICLSA-O,C46H63N4O11+,COC1C=COC2(C)Oc3c(C2=O)c2C4=NC5(NC4=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C)CC[NH+](CC5)CC(C)C,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/p+1/b13-12+,20-15+,24-14-/t23-,25-,26+,27-,30-,37-,38+,41+,45-/m0/s1",-6.0341,-5.2262,-4.8738,-4.5884,-4.5768,-4.5721,2.1868,2.4529,2.4529,2.5903,2.8441,D00424_J04AB04,1866034600e006e61b0b0e045a43150d440dccb208485b40018000a4200500049e00508900d000c1c00e233820c18c00c10a43e094607b15009110f21c0a83a8dc3228080514248380a4a1a322b08682f0f9c150400a3648ef1bda01b00d25814f360830210096730390828261100852070f01980b45b124189c04c301104004,1500042c72f005,17a8400204008940000a900020000000c00300000001000000000000000000000000e640c37a05,000000022010330180fe36df9fe9f5e785ffffff1f,0,6,114,9,0,5,124,129,-11.075999999999999,-3.975,9,0.0,0.07635361,+,9.4521,-,9.4521,https://www.genome.jp/dbget-bin/www_bget?dr:D00424
3443,D00879, Rifapentine (USAN/INN), Antibiotics,J04AB05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H](OC(=O)C)[C@H]([C@@H](OC)/C=C/O[C@]2(Oc3c(c(c4c(c(NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]1C)C)/C)c(c(c4c3C2=O)O)/C=N/N1CC[N@H+](CC1)C1CCCC1)O)O)C)C)C)C)O,878.039,5.8762,252.30200000000002,221.35,80,7,15,WDZCUPBHRAEYDL-PLWXFISZSA-O,C47H65N4O12+,COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CC[NH+](CC4)C4CCCC4)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/p+1/b13-12+,22-17+,25-14-,48-23+/t24-,26-,27+,28-,33-,38-,39+,43+,47-/m0/s1",-6.0586,-4.5385,-4.5142,-4.5071,-4.4666,-4.1241,1.7448,1.9057,2.016,2.4387,2.4674,D00879_J04AB05,1806010600a402e40b020e0158c34509841040b058485f60000a4080204400001680500221a00461880e023820411c40012e0200906c490d018100b2840086281e703828450406030020912222808280f8d9016014023c48c9085811000b210142560423000043424100024241504870810701d409019120088804c30f520004,1500042c72f005,17a84002040081400002900020000000400100000001000020000000000000000000c640c37a05,0000000000003b2180ec36ff9fe1f1efd5fffffb1f,0,11,115,7,0,6,128,133,-10.044,-3.873,9,,0.391687334,-,10.8651,-,10.8651,https://www.genome.jp/dbget-bin/www_bget?dr:D00879
3444,D00346, Isoniazid (JP17/USP/INN), Hydrazides,J04AC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(=O)N[NH3+])ccncc1,138.14700000000002,-0.6408,36.3913,69.63,11,2,3,QRXWMOHMRWLFEY-UHFFFAOYSA-O,C6H8N3O+,[NH3+]NC(=O)c1ccncc1,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/p+1",-3.7572,-3.7562,-3.6987,-3.6295,-1.9961,-1.8691,1.3636,1.5349,1.7179,1.7463,1.7469999999999999,D00346_J04AC01,a00000000000018002004e000000000000000000000000000000000000400000040000000000806000860008000000400000000000002000000000020800000004000400000000000000000000880080000000400400000040000000000000000410000000000000000000000000040000060000004100000018000006000000,0500000000f001,000000000000000000008000000000000001000000009000000000000000000000000640c02a00,000000000000090019000068022010090421402a1f,0,6,11,1,0,2,18,18,-13.581,-5.5889999999999995,0,1.0,1.8897999999999998e-08,-,0.2863,-,0.2863,https://www.genome.jp/dbget-bin/www_bget?dr:D00346
3445,D01501, Isoniazid calcium pyruvinate (JAN), Hydrazides,J04AC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(=O)N/N=C(/C(=O)O)\C)ccncc1,207.18599999999998,0.6628,52.303999999999995,91.65,14,2,6,ZGGPNDKKJIWQJU-IZZDOVSWSA-N,C9H9N3O3,O=C(c1ccncc1)NN=C(C(=O)O)C,"InChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+",-5.0187,-4.8606,-3.6409,-2.2063,-2.2,-2.0771,1.5125,1.8496,1.9908,2.3402,2.6355,D01501_J04AC01,a00000000000018002044e0000000000000000000000004000004000004000001400000000008061008e000800000840031800002004200000000002080000020c000c000000000000000000008800801010004004000000410000000000010a0650000101000000000000000400040000060000004100000018000006000000,0400000c00b003,010000000000000000008800000000000001000000009000000000000000000000000640403801,0000000000001800112000680320500d842542fa1f,0,6,15,3,0,4,24,24,-4.907,1.733,0,-1.0,4.64895e-07,-,0.4423,-,0.4423,https://www.genome.jp/dbget-bin/www_bget?dr:D01501
3446,D02002, Isoniazid sodium methanesulfonate hydra, Hydrazides,J04AC01,ANTIINFECTIVES FOR SYSTEMIC USE,n1ccc(cc1)C(=O)N[NH2+]CS(=O)(=O)O,232.237,-0.3932,51.8284,121.35,15,3,6,GQZQCROBCYNTMU-UHFFFAOYSA-O,C7H10N3O4S+,O=C(c1ccncc1)N[NH2+]CS(=O)(=O)O,"InChI=1S/C7H9N3O4S/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14/h1-4,9H,5H2,(H,10,11)(H,12,13,14)/p+1",-8.9597,-8.9382,-8.4017,-4.5547,-4.0734,-4.0373,2.594,2.597,2.9597,2.9762,4.6197,D02002_J04AC01,a00001000000018002004e000000000000000000000000000000000000404020040000000000806000860008140000440000000001102004000400020800000005000404400000a00200080000880080808000400420100050000000000000000412000000000000000000000000050000065000004100000018000806000000,0500000000f001,000000000000000000008000000000000001000000009000000022000000000000000640c02a00,00000008c0c07d1a1d018a68abe210098e2d4a6f1f,0,6,16,3,0,5,25,25,-11.213,-1.9509999999999998,0,,4.78522e-05,-,0.3265,-,0.3265,https://www.genome.jp/dbget-bin/www_bget?dr:D02002
3447,D09773, Isoniazid glucuronate sodium (JAN), Hydrazides,J04AC01,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccnc1)C(=O)N/N=C/[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,313.263,-2.2837,71.3722,172.57,24,6,10,WREFPPXAWHSISP-PBJGZRIOSA-N,C12H15N3O7,OC(C(C(C(C(=O)O)O)O)O)C=NNC(=O)c1ccncc1,"InChI=1S/C12H15N3O7/c16-7(8(17)9(18)10(19)12(21)22)5-14-15-11(20)6-1-3-13-4-2-6/h1-5,7-10,16-19H,(H,15,20)(H,21,22)/b14-5+/t7-,8+,9-,10-/m0/s1",-4.5746,-4.3771,-3.6223,-3.0303,-2.6706,-2.3269,2.1066,2.2624,2.3632,2.42,2.4417,D09773_J04AC01,a00000000000018002044f4000000000000000000000004080004000004000001400000000008065008e010800000840010800002024600100100002080000020c000c000800000008008002288800941450004014000100510000000000000806700001010000800000000000002c00000e0000004100000018000127008500,0400002c00b003,002800000001000000008800000000200001000000009000000000000000000000000640432804,0000000000003800912000690320500d842dc27a1f,0,6,28,3,0,8,37,37,-4.356,0.66,4,0.0,5.16893e-07,-,0.4742,-,0.4742,https://www.genome.jp/dbget-bin/www_bget?dr:D09773
3448,D01195, Prothionamide (JP17), Thiocarbamide derivatives,J04AD01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(ncc1)CCC)C(=S)N,180.27,2.3686,54.2814,71.0,15,1,3,VRDIULHPQTYCLN-UHFFFAOYSA-N,C9H12N2S,CCCc1cc(ccn1)C(=S)N,"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",-4.2082,-4.2061,-2.9730000000000003,-1.1562,-1.1007,-1.0552,0.6267,0.8908,0.9176,1.1412,1.4055,D01195_J04AD01,280401200000000002008600040010000000000040000008000000800040000010004000000080230080000800010040010300000804200000000006080000000c000c02000002000080000000080080000080400480100840000800000c0000001000100000000000000000a00004000006001001410000000800000a000000,2000000000b001,030000000000000000008000000200000000000000009000000000000000000000000640402800,00000000004000000101890002402601002144ac17,0,6,17,1,0,3,24,24,-8.693999999999999,-1.058,0,,0.230251953,+,0.5232,-,0.5232,https://www.genome.jp/dbget-bin/www_bget?dr:D01195
3449,D07246, Tiocarlide (INN), Thiocarbamide derivatives,J04AD02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(cc1)NC(=S)Nc1ccc(cc1)OCCC(C)C)OCCC(C)C,400.577,6.4913,123.805,74.61,37,2,5,BWBONKHPVHMQHE-UHFFFAOYSA-N,C23H32N2O2S,CC(CCOc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCCC(C)C)C,"InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)",-2.92,-2.8747,-2.8616,-2.8424,-1.6351,-1.0144,0.5186,1.137,1.1526,1.3234,1.3338,D07246_J04AD02,08400100000000000000060000820000800000000000040000000000000010001000000000000221000000080001044001020200000040080008000000000400082008006100001100000000220080000080004004002000400800000000000009200020000000020000000200100000400b0100080000200800000006000004,0000000050b001,070002000000000000000000000000000040080000000000000000000000000000000200402800,00000000004400000013810000122d605c72d5fd1f,0,12,48,1,0,12,60,61,-8.167,-0.22899999999999998,0,0.0,0.958845437,-,1.1705,-,1.1705,https://www.genome.jp/dbget-bin/www_bget?dr:D07246
3450,D00591, Ethionamide (JP17/USP/INN), Thiocarbamide derivatives,J04AD03,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(ncc1)CC)C(=S)N,166.243,1.9785,49.4744,71.0,13,1,3,AEOCXXJPGCBFJA-UHFFFAOYSA-N,C8H10N2S,CCc1nccc(c1)C(=S)N,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",-4.2117,-4.2022,-2.9698,-1.1584,-1.0977,-1.0589,0.6252,0.8936,0.9163,1.1396,1.4188,D00591_J04AD03,280401200000000002000600040010000000000040000008000000800040000010004000000080220080000800000040000300000004200000000002080000000c000c0200000200008000000008008000008040048000084000080000040000001000100000000000000000a00004000006001001410000000800000a000000,2000000000b001,030000000000000000008000000200000000000000009000000000000000000000000640402800,00000000004000000101890002400201002140ac17,0,6,14,1,0,2,21,21,-8.695,-1.063,0,0.0,0.120121345,+,0.5526,-,0.5526,https://www.genome.jp/dbget-bin/www_bget?dr:D00591
3451,D00144, Pyrazinamide (JP17/USP/INN), Other drugs for treatment of tuberculosis,J04AK01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cnccn1)C(=O)N,123.113,0.2758,30.1269,68.87,9,1,4,IPEHBUMCGVEMRF-UHFFFAOYSA-N,C5H5N3O,NC(=O)c1cnccn1,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",-4.5536,-4.2184,-4.2047,-3.6430000000000002,-2.6017,-1.9941,1.6780000000000002,1.7956,1.9513,1.976,2.0793,D00144_J04AK01,0000008000000080010806000400000004000000000000080000000000001400080000000040002100860000000000800000000000000000000000020000000804000400000082000000100000800000000000400000090100000000000000100110000000c00000000000004000000010040010000800000000800002000000,0400000000b001,000000000000000000008000060000004000000000009000000000000000000000000640402800,000000000000000001c00848032090010021402a1f,0,6,7,1,0,1,14,14,-10.186,-0.778,0,-1.0,0.002530668,-,0.2987,-,0.2987,https://www.genome.jp/dbget-bin/www_bget?dr:D00144
3452,D07925, Ethambutol (INN), Other drugs for treatment of tuberculosis,J04AK02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]([NH2+]CC[NH2+][C@@H](CC)CO)(CC)CO,206.326,-2.345,60.6264,73.68,28,4,2,AEUTYOVWOVBAKS-UWVGGRQHSA-P,C10H26N2O2++,CCC([NH2+]CC[NH2+]C(CO)CC)CO,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/p+2/t9-,10-/m0/s1",-5.7015,-5.6896,-5.6763,-5.6578,-4.3476,-4.3475,1.7933,2.3236,2.3398,3.0015,3.0275,D07925_J04AK02,0002000000000000000004000000000800000000000000000000000000000000100000020100000300000030000000000102000000004000000000000000001008000800000010000020000002000000000000400000200000000000000000000000000000000000000000008000000000040004000010000000000000000000,0100001c00e000,031840010400000000000000000000000000000000000000000000000000000000000000c02204,000000000000210000400a4688582a80052654fd09,0,0,39,0,0,9,40,39,-17.572,-8.357000000000001,2,-1.0,,+,20.9958,-,20.9958,https://www.genome.jp/dbget-bin/www_bget?dr:D07925
3453,D00878, Ethambutol hydrochloride (JP17/USP), Other drugs for treatment of tuberculosis,J04AK02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]([NH2+]CC[NH2+][C@@H](CC)CO)(CC)CO,206.326,-2.345,60.6264,73.68,28,4,2,AEUTYOVWOVBAKS-UWVGGRQHSA-P,C10H26N2O2++,CCC([NH2+]CC[NH2+]C(CO)CC)CO,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/p+2/t9-,10-/m0/s1",-5.702999999999999,-5.6952,-5.6636,-5.6212,-4.3887,-4.3566,1.8149,2.127,2.3645,3.2731,3.3475,D00878_J04AK02,0002000000000000000004000000000800000000000000000000000000000000100000020100000300000030000000000102000000004000000000000000001008000800000010000020000002000000000000400000200000000000000000000000000000000000000000008000000000040004000010000000000000000000,0100001c00e000,031840010400000000000000000000000000000000000000000000000000000000000000c02204,000000000000210000400a4688582a80052654fd09,0,0,39,0,0,9,40,39,-17.570999999999998,-8.356,2,,,+,20.9958,-,20.9958,https://www.genome.jp/dbget-bin/www_bget?dr:D00878
3454,D07247, Terizidone (INN), Other drugs for treatment of tuberculosis,J04AK03,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)/C=N/[C@@H]1C(=O)NOC1)/C=N/[C@@H]1C(=O)NOC1,302.285,0.042,84.3614,101.38,22,2,8,ODKYYBOHSVLGNU-AESBOGCRSA-N,C14H14N4O4,O=C1NOCC1N=Cc1ccc(cc1)C=NC1CONC1=O,"InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+/t11-,12-/m0/s1",-3.8215,-3.8201,-2.3625,-2.3605,-2.3601,-2.3539,1.4265,1.429,1.6717,1.6739,1.7719,D07247_J04AK03,00000000800000400c800600080100400400000400000040400200c0800000021008400000000407400608380000000000000c000080800000000002000800001880080200000400008000000088009001b8004000000000410800000081000000080000000000100000400000000040000601080001204010000c0001000000,0400000000b001,000000000000080000008000004000000000000000000000000000000000000000000640432804,0000800000000001d0e004eba170d049966b627b1f,0,6,28,4,0,4,36,38,-9.781,-1.24,2,1.0,0.15935073800000002,+,1.1625,-,1.1625,https://www.genome.jp/dbget-bin/www_bget?dr:D07247
3455,D07248, Morinamide (INN), Other drugs for treatment of tuberculosis,J04AK04,ANTIINFECTIVES FOR SYSTEMIC USE,c1cncc(n1)C(=O)NC[NH+]1CCOCC1,223.252,0.0391,61.0009,68.55,20,2,5,GVTLAVKAVSKBKK-UHFFFAOYSA-O,C10H15N4O2+,O=C(c1nccnc1)NC[NH+]1CCOCC1,"InChI=1S/C10H14N4O2/c15-10(9-7-11-1-2-12-9)13-8-14-3-5-16-6-4-14/h1-2,7H,3-6,8H2,(H,13,15)/p+1",-7.4717,-6.0258,-5.9574,-4.5704,-4.5615,-4.158,2.4583,2.5698,2.5955,2.6318,2.6834,D07248_J04AK04,00020080000000800108060004120000040000800000000800000000000414001800000000400033008e010000010080010000004000000000000002004004380c010c00081082000000100002800000008000400000290100000000000000100370000004c0000000001000c0000000100c2090000800000000800112000010,0500000030f001,0080000000000000000080000a0000004000000000009000000000000000000000000640c02a00,000000080004010101d4324e8b70b0830d234d7f1f,0,6,25,1,0,4,31,32,-12.777000000000001,-4.638,0,1.0,5.77528e-05,-,0.5055,-,0.5055,https://www.genome.jp/dbget-bin/www_bget?dr:D07248
3456,D09872, Bedaquiline (USAN/INN), Other drugs for treatment of tuberculosis,J04AK05,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(cc2c1nc(c(c2)[C@H]([C@@](CC[NH+](C)C)(c1cccc2c1cccc2)O)c1ccccc1)OC)Br,556.513,5.7134,156.614,46.79,35,2,3,QUIJNHUBAXPXFS-XLJNKUFUSA-O,C32H32BrN2O2+,COc1nc2ccc(cc2cc1C(C(c1cccc2c1cccc2)(CC[NH+](C)C)O)c1ccccc1)Br,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/p+1/t30-,32-/m1/s1",-6.0424,-4.6117,-4.5964,-4.5297,-2.8480000000000003,-2.5804,1.4538,1.4622,1.5572,1.5831,1.5895,D09872_J04AK05,0007000c080004420a400600800340000000005000000208000000e0000004001004508a800080212884101800010240010002000004a00004000002000001580c201c00410104210008600032080000408101c004003008c00808000009500000820001002000060041000040110480100681000a41102018c200010a400008,0100004c50f001,064842020400000000000000000004000000000000109000000000000000000000004600c02204,00000000002011000302721a9be53d632cf5fdfd1f,0,28,45,0,0,8,69,73,-11.092,-3.657,2,-1.0,0.979345858,+,1.8962,-,1.8962,https://www.genome.jp/dbget-bin/www_bget?dr:D09872
3457,D09873, Bedaquiline fumarate (JAN/USAN), Other drugs for treatment of tuberculosis,J04AK05,ANTIINFECTIVES FOR SYSTEMIC USE,c1cc(cc2c1nc(c(c2)[C@H]([C@@](CC[NH+](C)C)(c1cccc2c1cccc2)O)c1ccccc1)OC)Br,556.513,5.7134,156.614,46.79,35,2,3,QUIJNHUBAXPXFS-XLJNKUFUSA-O,C32H32BrN2O2+,COc1nc2ccc(cc2cc1C(C(c1cccc2c1cccc2)(CC[NH+](C)C)O)c1ccccc1)Br,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/p+1/t30-,32-/m1/s1",-6.0363,-4.6171,-4.5702,-4.5041,-2.8753,-2.583,1.4386,1.4785,1.5587,1.5796,1.5844,D09873_J04AK05,0007000c080004420a400600800340000000005000000208000000e0000004001004508a800080212884101800010240010002000004a00004000002000001580c201c00410104210008600032080000408101c004003008c00808000009500000820001002000060041000040110480100681000a41102018c200010a400008,0100004c50f001,064842020400000000000000000004000000000000109000000000000000000000004600c02204,00000000002011000302721a9be53d632cf5fdfd1f,0,28,45,0,0,8,69,73,-11.089,-3.655,2,-1.0,0.9793687459999999,+,1.8962,-,1.8962,https://www.genome.jp/dbget-bin/www_bget?dr:D09873
3458,D09785, Delamanid (JAN/USAN), Other drugs for treatment of tuberculosis,J04AK06,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(cc1)OC(F)(F)F)O[C@@H]1CCN(CC1)c1ccc(cc1)OC[C@@]1(Oc2n(C1)cc(n2)[N](=O)O)C,535.492,5.4474,132.918,107.64,34,1,7,OAYYGLQZKIVTTQ-XMMPIXPASA-N,C25H26F3N4O6,FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OCC1(C)Oc2n(C1)cc(n2)[N](=O)O)(F)F,"InChI=1S/C25H26F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3,(H,33,34)/t24-/m1/s1",-5.5924,-4.7888,-4.7224,-4.7141,-4.7057,-4.6161,1.1674,1.2108,1.3476,1.5796,2.03,D09785_J04AK06,4002000e000008400100468008c20002b04080d101020c4080000080010000001000500c8800202710000018400016c0010226800200c00800080000000024003ca01e02c112e2410003800026118100009041500c803c08e008808002230014099820000000001200210002701008a020060500080130e01a00000102400004,0100000050f021,030142000100006000000000000000010000100000009800000000000000000000004640e03a04,0000800030028161f3d434e03bf7f5eb7bef8ffd1f,3,17,50,1,0,9,64,68,-8.716000000000001,-1.486,1,1.0,0.933045208,+,3.4925,-,3.4925,https://www.genome.jp/dbget-bin/www_bget?dr:D09785
3459,D08584, Thioacetazone (INN), Other drugs for treatment of tuberculosis,J04AK07,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)/C=N/NC(=S)N)NC(=O)C,236.293,1.9763,67.5128,111.6,18,3,6,SRVJKTDHMYAMHA-WUXMJOGZSA-N,C10H12N4OS,CC(=O)Nc1ccc(cc1)C=NNC(=S)N,"InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+",-4.2559,-4.2261,-4.2097,-3.8034,-3.2418,-2.8788,1.4780000000000002,1.6582,1.8433,1.9228,1.9852,D08584_J04AK07,080201000008004001000e0008800000800000000002004000080880000000000000400000200460000600080000184000020000000400080000000200000400000008004000000000801000008000800090044004002800410800000001000000400841000000000000000000200000000e010000010000000800000a400000,0400000000b001,0100000000000000000080000a0000000040000001000000000000000000000000000240432800,00000000004408001071892800225008542040aa1f,0,6,19,3,0,5,28,28,-8.238999999999999,-0.657,0,0.0,0.232487887,-,0.4645,-,0.4645,https://www.genome.jp/dbget-bin/www_bget?dr:D08584
3460,D00278, Clofazimine (JAN/USP/INN), Drugs for treatment of lepra,J04BA01,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc3c1cccc3)cc(/c(=N/C(C)C)/c2)Nc1ccc(cc1)Cl)c1ccc(cc1)Cl,473.39599999999996,7.6112,139.181,42.21,25,1,3,WDQPAMHFFCXSNU-BGABXYSRSA-N,C27H22Cl2N4,Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+",-3.3636,-3.2565,-2.9378,-1.8203,-1.6825,-1.4744,0.8874,0.9359,0.9918,1.1416,1.1547,D00278_J04BA01,5000020200000c000800060180800c04800100008080084b0000008000200200100008814001802130810438000000c00504000002016008080210000008041804000400c080840000004003040800020088074004003000c009000000201000001000001080000000000000400004004006000004100004000280000a800000,0000000000b021,010040100000000000000000000000000000000000849800000000000000000000004640403000,000000000000002001e650005205c00370a179a817,0,28,30,1,0,4,55,59,-7.797999999999999,-1.67,0,,0.995219469,+,1.989,-,1.989,https://www.genome.jp/dbget-bin/www_bget?dr:D00278
3461,D02521, Aldesulfone sodium (INN), Drugs for treatment of lepra,J04BA03,ANTIINFECTIVES FOR SYSTEMIC USE,S(=O)(=O)(c1ccc(cc1)NC[S@@](=O)O)c1ccc(cc1)NC[S@](=O)O,404.48199999999997,4.6598,96.69,179.6,22,4,8,NEDPPCHNEOMTJV-UHFFFAOYSA-N,C14H16N2O6S3,OS(=O)CNc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NCS(=O)O,"InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)",-8.5288,-8.4753,-4.9285,-4.9276,-4.8211,-4.8184,1.62,1.7963,1.964,2.0537,2.4111,D02521_J04BA03,20000100000000000000060000820000c0008000000000000000000000002010090000080000802000000008020000c2002000800008208800020000001004840000000040002080020008000000000080800020042020004808000000000000080200000000000000000000000004000002d000000002000022800802000000,0000000000b121,000000000000000000000000000000000000000000000000800040040000000000000240402804,000000088040649e14018340a8800008de2e4b6d1f,0,12,26,4,0,8,41,42,-2.4330000000000003,3.159,0,1.0,1.61464e-09,+,1.4534,-,1.4534,https://www.genome.jp/dbget-bin/www_bget?dr:D02521
3462,D02496, Methisazone (USAN), Thiosemicarbazones,J05AA01,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(N(C(=O)/C/1=N\NC(=S)N)C)cccc2,234.278,1.3565,68.4281,102.81,16,2,6,DLGSOJOOYHWROO-WQLSENKSSA-N,C10H10N4OS,NC(=S)NN=C1c2ccccc2N(C1=O)C,"InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5H,1H3,(H3,11,13,16)/b12-8-",-4.2543,-4.2526,-4.2259,-4.2124,-3.1304,-2.0687,1.6595,1.6603,1.8428,1.9805,2.1561,D02496_J05AA01,080601200228004003000e00188000048010000010020040000a08800000000011004081002004e0000620181004184002220000000c00080000000200800400000018004001024000001000008000810090044004002a08410808200001000200400c43020000004000000004200020004e010000011200000000000a401001,0400000000b001,000000000000000000008000200000000040000001000000000000000000000000004640403800,000000000044080010f59df81123504b54e168aa1f,0,6,18,3,0,2,26,27,-8.298,-1.15,0,,0.106627695,-,0.6095,-,0.6095,https://www.genome.jp/dbget-bin/www_bget?dr:D02496
3463,D06298, Vidarabine (JAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB03,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO,267.241,-1.3988,62.6738,139.54,21,4,9,OIRDTQYFTABQOQ-UHTZMRCNSA-N,C10H13N5O4,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",-5.127000000000001,-5.1116,-3.8225,-3.1060000000000003,-2.9782,-2.8465,1.7399,2.0815,2.1697,2.2169,2.3655,D06298_J05AB03,c0000000000028c00000460008020000700000100002000002000040000400101400000c400080275000001020000880011020800000c01900000000200020000cc01e10801008000001880300100000049001400c80000cb00080010001400000080000008c000000c00000e000380020060988000008800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000009800000000000000000000004601403804,000000002000302181d41ecf133190435c6dea7d1f,0,10,24,0,0,2,32,34,-9.057,-0.188,4,2.0,0.0010050389999999999,+,1.4932,-,1.4932,https://www.genome.jp/dbget-bin/www_bget?dr:D06298
3464,D06298, Vidarabine (JAN), Antivirals,S01AD06,SENSORY ORGANS,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO,267.241,-1.3988,62.6738,139.54,21,4,9,OIRDTQYFTABQOQ-UHTZMRCNSA-N,C10H13N5O4,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",-5.1256,-5.1087,-3.8217,-3.117,-2.9746,-2.8533,1.7453,2.0891,2.1939,2.2729,2.3612,D06298_S01AD06,c0000000000028c00000460008020000700000100002000002000040000400101400000c400080275000001020000880011020800000c01900000000200020000cc01e10801008000001880300100000049001400c80000cb00080010001400000080000008c000000c00000e000380020060988000008800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000009800000000000000000000004601403804,000000002000302181d41ecf133190435c6dea7d1f,0,10,24,0,0,2,32,34,-9.057,-0.188,4,2.0,0.0010050389999999999,+,1.4932,-,1.4932,https://www.genome.jp/dbget-bin/www_bget?dr:D06298
3465,D00406, Vidarabine (USP), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB03,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO,267.241,-1.3988,62.6738,139.54,21,4,9,OIRDTQYFTABQOQ-UHTZMRCNSA-N,C10H13N5O4,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",-5.1327,-5.107,-3.8205,-3.1016,-2.9656,-2.844,1.7386,2.0784,2.1996,2.2407,2.3746,D00406_J05AB03,c0000000000028c00000460008020000700000100002000002000040000400101400000c400080275000001020000880011020800000c01900000000200020000cc01e10801008000001880300100000049001400c80000cb00080010001400000080000008c000000c00000e000380020060988000008800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000009800000000000000000000004601403804,000000002000302181d41ecf133190435c6dea7d1f,0,10,24,0,0,2,32,34,-9.059,-0.188,4,,0.001005153,+,1.4932,-,1.4932,https://www.genome.jp/dbget-bin/www_bget?dr:D00406
3466,D00406, Vidarabine (USP), Antivirals,S01AD06,SENSORY ORGANS,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO,267.241,-1.3988,62.6738,139.54,21,4,9,OIRDTQYFTABQOQ-UHTZMRCNSA-N,C10H13N5O4,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",-5.1264,-5.1087,-3.822,-3.1159,-2.9755,-2.8519,1.7446,2.0878,2.1895,2.2699,2.3624,D00406_S01AD06,c0000000000028c00000460008020000700000100002000002000040000400101400000c400080275000001020000880011020800000c01900000000200020000cc01e10801008000001880300100000049001400c80000cb00080010001400000080000008c000000c00000e000380020060988000008800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000009800000000000000000000004601403804,000000002000302181d41ecf133190435c6dea7d1f,0,10,24,0,0,2,32,34,-9.059,-0.188,4,,0.001005153,+,1.4932,-,1.4932,https://www.genome.jp/dbget-bin/www_bget?dr:D00406
3467,D06299, Vidarabine phosphate (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB03,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,347.221,-1.2818,73.5841,195.88,23,5,12,UDMBCSSLTHHNCD-UHTZMRCNSA-N,C10H14N5O7P,OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1",-10.5453,-10.5271,-10.2923,-7.5182,-5.125,-5.106,2.9808,3.0596,3.4052,3.4786,5.0424,D06299_J05AB03,c0800000000068c11400460008020000700001100002000e02000040000400101400000c400080275008001420000880035020800000c0190000000020002a000cca1e108010080020018a0300100000049001400c80000cb0008001004140000008000000cc000000c00000e4003800200e0989100508800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000009800000000000010200000004601403804,000000102084202191d41ccf33b3906b5e6dea7d1f,0,10,28,1,0,4,37,39,0.271,3.3789999999999996,4,-2.0,4.28005e-16,-,1.2759,-,1.2759,https://www.genome.jp/dbget-bin/www_bget?dr:D06299
3468,D06299, Vidarabine phosphate (USAN), Antivirals,S01AD06,SENSORY ORGANS,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,347.221,-1.2818,73.5841,195.88,23,5,12,UDMBCSSLTHHNCD-UHTZMRCNSA-N,C10H14N5O7P,OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1",-10.536,-10.5354,-10.2898,-7.4954,-5.1263,-5.1104,3.0186,3.0274,3.4111,3.4345,5.0769,D06299_S01AD06,c0800000000068c11400460008020000700001100002000e02000040000400101400000c400080275008001420000880035020800000c0190000000020002a000cca1e108010080020018a0300100000049001400c80000cb0008001004140000008000000cc000000c00000e4003800200e0989100508800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000009800000000000010200000004601403804,000000102084202191d41ccf33b3906b5e6dea7d1f,0,10,28,1,0,4,37,39,0.271,3.3789999999999996,4,-2.0,4.28005e-16,-,1.2759,-,1.2759,https://www.genome.jp/dbget-bin/www_bget?dr:D06299
3469,D06300, Vidarabine sodium phosphate (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB03,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,347.221,-1.2818,73.5841,195.88,23,5,12,UDMBCSSLTHHNCD-UHTZMRCNSA-N,C10H14N5O7P,OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1",-10.5233,-10.5064,-10.3142,-7.4699,-5.1298,-5.11,3.0009,3.0153,3.407,3.4572,5.066,D06300_J05AB03,c0800000000068c11400460008020000700001100002000e02000040000400101400000c400080275008001420000880035020800000c0190000000020002a000cca1e108010080020018a0300100000049001400c80000cb0008001004140000008000000cc000000c00000e4003800200e0989100508800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000009800000000000010200000004601403804,000000102084202191d41ccf33b3906b5e6dea7d1f,0,10,28,1,0,4,37,39,0.273,3.377,4,1.0,4.2715300000000005e-16,-,1.2759,-,1.2759,https://www.genome.jp/dbget-bin/www_bget?dr:D06300
3470,D06300, Vidarabine sodium phosphate (USAN), Antivirals,S01AD06,SENSORY ORGANS,n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)COP(=O)(O)O,347.221,-1.2818,73.5841,195.88,23,5,12,UDMBCSSLTHHNCD-UHTZMRCNSA-N,C10H14N5O7P,OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1",-10.5565,-10.5554,-10.2165,-7.4965,-5.1259,-5.11,2.989,3.0317,3.4098,3.4702,5.0643,D06300_S01AD06,c0800000000068c11400460008020000700001100002000e02000040000400101400000c400080275008001420000880035020800000c0190000000020002a000cca1e108010080020018a0300100000049001400c80000cb0008001004140000008000000cc000000c00000e4003800200e0989100508800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000009800000000000010200000004601403804,000000102084202191d41ccf33b3906b5e6dea7d1f,0,10,28,1,0,4,37,39,0.273,3.377,4,1.0,4.2715300000000005e-16,-,1.2759,-,1.2759,https://www.genome.jp/dbget-bin/www_bget?dr:D06300
3471,D00423, Ribavirin (JP17/USP/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB04,ANTIINFECTIVES FOR SYSTEMIC USE,n1(nc(nc1)C(=O)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO,244.205,-2.3112,51.0633,143.72,20,4,9,IWUCXVSUMQZMFG-AFCXAGJDSA-N,C8H12N4O5,OCC1OC(C(C1O)O)n1cnc(n1)C(=O)N,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",-6.018,-4.7822,-4.2285,-4.207,-3.2518,-2.9732,2.2251,2.3308,2.4846,2.5164,2.9059,D00423_J05AB04,08810000800000800100040005030001600002310008000002040040100420101004000e004001275006001020001880011220000000d01902000000008000000ca01a0080102a000001a003008000001088014428001908a000808110010000010400000000c00004800000c000380100040180000010c00800400104000000,0400003c30b001,003800000001000000008000060000000000000000009800000000000000000000000641403804,000000002000382181d40eef0130904b1c6dea7f1b,0,5,24,1,0,3,29,30,-10.573,-0.12,4,,0.0007385019999999999,+,0.8992,-,0.8992,https://www.genome.jp/dbget-bin/www_bget?dr:D00423
3472,D00333, Ganciclovir (JAN/USP/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB06,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COC(CO)CO,256.23900000000003,-1.1755,62.6074,142.18,20,5,7,KKEWXFVFWIFNRL-UHFFFAOYSA-N,C9H14N5O4,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C9H14N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,12,15-16H,1-2,4H2,(H3,10,13,17)",-8.8997,-7.7873,-7.7106,-6.7170000000000005,-5.7898,-5.7187,3.7030000000000003,3.7952,4.3322,4.3411,4.4110000000000005,D00333_J05AB06,000200000140108011000400000200086000200000000000020000000060000018000008000000059406033000010000010000001008000100200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ecf1b3390631d6fca7f1d,0,0,37,1,0,5,37,38,-13.003,-5.32,0,1.0,6.2186900000000004e-06,-,27.1818,-,27.1818,https://www.genome.jp/dbget-bin/www_bget?dr:D00333
3473,D00333, Ganciclovir (JAN/USP/INN), Antivirals,S01AD09,SENSORY ORGANS,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COC(CO)CO,256.23900000000003,-1.1755,62.6074,142.18,20,5,7,KKEWXFVFWIFNRL-UHFFFAOYSA-N,C9H14N5O4,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C9H14N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,12,15-16H,1-2,4H2,(H3,10,13,17)",-8.8951,-7.7648,-7.6915,-6.7158,-5.7112,-5.7012,3.6785,3.8146,4.3198,4.3481,4.4145,D00333_S01AD09,000200000140108011000400000200086000200000000000020000000060000018000008000000059406033000010000010000001008000100200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ecf1b3390631d6fca7f1d,0,0,37,1,0,5,37,38,-13.003,-5.32,0,1.0,6.2186900000000004e-06,-,27.1818,-,27.1818,https://www.genome.jp/dbget-bin/www_bget?dr:D00333
3474,D04301, Ganciclovir sodium (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB06,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COC(CO)CO,256.23900000000003,-1.1755,62.6074,142.18,19,5,7,KKEWXFVFWIFNRL-UHFFFAOYSA-N,C9H14N5O4,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C9H14N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,12,15-16H,1-2,4H2,(H3,10,13,17)",-8.892000000000001,-7.7163,-7.7054,-6.7429,-5.7506,-5.7034,3.6786,3.8186,4.3087,4.3514,4.4451,D04301_J05AB06,000200000140108011000400000200086000200000000000020000000060000018000008000000059406033000010000010000001008000100200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ecf1b3390631d6fca7f1d,0,0,37,1,0,5,37,38,-14.224,-11.165999999999999,0,-1.0,5.34604e-06,+,1.2941,-,1.2941,https://www.genome.jp/dbget-bin/www_bget?dr:D04301
3475,D04301, Ganciclovir sodium (USAN), Antivirals,S01AD09,SENSORY ORGANS,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COC(CO)CO,256.23900000000003,-1.1755,62.6074,142.18,19,5,7,KKEWXFVFWIFNRL-UHFFFAOYSA-N,C9H14N5O4,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)CO,"InChI=1S/C9H14N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,12,15-16H,1-2,4H2,(H3,10,13,17)",-8.8972,-7.7585,-7.6593,-6.7427,-5.7158,-5.7013,3.6764,3.8278,4.309,4.3361,4.4487,D04301_S01AD09,000200000140108011000400000200086000200000000000020000000060000018000008000000059406033000010000010000001008000100200a001000000008001a00000000000020000000b0000d00b0004002002006200102000002800000200000040000000080010000000000100c0000000010000130400300000100,0400001c30a001,001800000000004200008000200000000000000000000000000000000000000000004400402804,000000092004300080d43ecf1b3390631d6fca7f1d,0,0,37,1,0,5,37,38,-14.224,-11.165999999999999,0,-1.0,5.34604e-06,+,1.2941,-,1.2941,https://www.genome.jp/dbget-bin/www_bget?dr:D04301
3476,D00317, Famciclovir (JAN/USAN/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB09,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CCC(COC(=O)C)COC(=O)C)cnc(n2)N,321.332,1.1222,82.0154,122.22,27,1,9,GGXKWVWZWMLJEH-UHFFFAOYSA-N,C14H19N5O4,CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",-6.7689,-5.1402,-5.138,-4.7746,-4.433,-4.3894,1.5507,2.0978,2.1033,2.1044,3.1833,D00317_J05AB09,80000000000008c00a10460008020000000000000002000000000000000400001400400040088021500a001c20000080010020000000400900000000000002000c100c10800008000000800000900000009001400c800000c0000001000140000008000000a0000000c00000400018000007010000010800001880000a000000,0400000030b025,070000080000000000009000000000000000000000009800000000000000000000004600403801,000000012000000001d41c811a53a827d12b5eff1f,0,10,31,2,0,9,42,43,-8.908999999999999,-0.136,0,,0.010120691,+,1.1113,-,1.1113,https://www.genome.jp/dbget-bin/www_bget?dr:D00317
3477,D00317, Famciclovir (JAN/USAN/INN), Antivirals,S01AD07,SENSORY ORGANS,c12c(ncn1CCC(COC(=O)C)COC(=O)C)cnc(n2)N,321.332,1.1222,82.0154,122.22,27,1,9,GGXKWVWZWMLJEH-UHFFFAOYSA-N,C14H19N5O4,CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",-6.754,-5.1349,-5.125,-4.7774,-4.4072,-4.3852,1.5393,2.1047,2.1128,2.1214,3.1633,D00317_S01AD07,80000000000008c00a10460008020000000000000002000000000000000400001400400040088021500a001c20000080010020000000400900000000000002000c100c10800008000000800000900000009001400c800000c0000001000140000008000000a0000000c00000400018000007010000010800001880000a000000,0400000030b025,070000080000000000009000000000000000000000009800000000000000000000004600403801,000000012000000001d41c811a53a827d12b5eff1f,0,10,31,2,0,9,42,43,-8.908999999999999,-0.136,0,,0.010120691,+,1.1113,-,1.1113,https://www.genome.jp/dbget-bin/www_bget?dr:D00317
3478,D08664, Valaciclovir (INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB11,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COCCOC(=O)[C@H](C(C)C)[NH3+],326.35200000000003,-0.7190000000000001,84.7619,155.66,28,4,7,MBFDUDKBWJOPJY-QMMMGPOBSA-O,C13H22N6O4+,CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)[nH]c2=O)[NH3+])C,"InChI=1S/C13H21N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8,17H,3-4,6,14H2,1-2H3,(H3,15,18,20)/p+1/t8-/m0/s1",-8.9032,-7.8053,-7.6164,-6.7635,-5.7385,-5.6981,3.6571,3.7905,4.3048,4.3874,4.442,D08664_J05AB11,00020000014010801100040000020008600020000000000002000000006400001800000800000007940e033020010000010000001008400000200a001000020008901b00001000000020000000b0000d10b0004002002006200102000022800040200000040000000080010000000000100f0180080410000130400300000100,0500000030e005,0500c0000400004200009000200000000000000000000000000000000000000000004400c02a04,000000092004310080d63ece1b33b0e79d6b5eff1d,0,0,49,2,0,8,50,51,-14.779000000000002,-6.895,1,0.0,2.3386999999999998e-09,+,1.7881,-,1.7881,https://www.genome.jp/dbget-bin/www_bget?dr:D08664
3479,D00398, Valacyclovir hydrochloride (USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB11,ANTIINFECTIVES FOR SYSTEMIC USE,n1(c2c(nc1)c(=O)[nH]c([nH]2)N)COCCOC(=O)[C@H](C(C)C)[NH3+],326.35200000000003,-0.7190000000000001,84.7619,155.66,28,4,7,MBFDUDKBWJOPJY-QMMMGPOBSA-O,C13H22N6O4+,CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)[nH]c2=O)[NH3+])C,"InChI=1S/C13H21N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8,17H,3-4,6,14H2,1-2H3,(H3,15,18,20)/p+1/t8-/m0/s1",-8.8866,-7.8358,-7.6499,-6.7432,-5.7724,-5.7079,3.677,3.7927,4.3131,4.3983,4.4411,D00398_J05AB11,00020000014010801100040000020008600020000000000002000000006400001800000800000007940e033020010000010000001008400000200a001000020008901b00001000000020000000b0000d10b0004002002006200102000022800040200000040000000080010000000000100f0180080410000130400300000100,0500000030e005,0500c0000400004200009000200000000000000000000000000000000000000000004400c02a04,000000092004310080d63ece1b33b0e79d6b5eff1d,0,0,49,2,0,8,50,51,-14.777000000000001,-6.892,1,0.0,2.33837e-09,+,1.7881,-,1.7881,https://www.genome.jp/dbget-bin/www_bget?dr:D00398
3480,D00273, Cidofovir (USAN/INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB12,ANTIINFECTIVES FOR SYSTEMIC USE,n1(C[C@H](OCP(=O)(O)O)CO)c(=O)[nH]c(cc1)N,280.195,-0.8664,62.781000000000006,160.61,20,5,8,MOVDDCJSKMZHAU-LURJTMIESA-N,C8H15N3O6P,OCC(Cn1ccc([nH]c1=O)N)OCP(=O)(O)O,"InChI=1S/C8H15N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,10,12H,3-5,9H2,(H2,14,15,16)/t6-/m0/s1",-8.5972,-8.5918,-8.3779,-5.6339,-5.2597,-5.0509,2.9853,3.0368,3.4751,4.0893,4.1949,D00273_J05AB12,04a2000001001000110004000002000001400108000080000000000003000100180000088000001700045b15800102000002000040008000000000002800003008000e600010080000000200029000010080004000002002200100000800000000200000040000000001000081000000000c204000001000005c100010000000,0000001c30a041,021800000000000003000000000000000040040000000000000000001004000000000400402804,000000183084000090943a46abf2b0eb9f6fee7f1d,0,0,34,2,0,6,36,36,-2.907,0.002,1,0.0,1.4853199999999998e-15,-,0.4487,-,0.4487,https://www.genome.jp/dbget-bin/www_bget?dr:D00273
3481,D02495, Valganciclovir (INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB14,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CO[C@H](COC(=O)[C@H](C(C)C)[NH3+])CO)c(=O)[nH]c([nH]2)N,356.37800000000004,-1.3581,90.7307,175.89,31,5,8,NQVUSPZUPKXHNY-IUCAKERBSA-O,C14H24N6O5+,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)COC(=O)C(C(C)C)[NH3+],"InChI=1S/C14H23N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,19,21H,3-4,6,15H2,1-2H3,(H3,16,18,22)/p+1/t8-,9-/m0/s1",-8.9147,-7.7691,-7.611000000000001,-6.7539,-5.7069,-5.696000000000001,3.6683,3.748,4.3085,4.352,4.4127,D02495_J05AB14,00020000014010801900040000020008600020000000000002000000006400101800000800000007940e033020010000010000001008400100200a001000020008901b00001000000020000000b0000d10b0004002002006200102010022800040200000040000000080010040000000100f0180080510000130400340000100,0500001c30e005,0518c0000400004200009000200000000000000000000000000000000000000000004400c02a04,000000092004310080d63ecf1b3390679d6fdaff1d,0,0,53,2,0,9,54,55,-14.712,-6.852,2,,4.40576e-09,+,1.9893,-,1.9893,https://www.genome.jp/dbget-bin/www_bget?dr:D02495
3482,D03256, Valganciclovir hydrochloride (JAN/USAN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB14,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CO[C@H](COC(=O)[C@H](C(C)C)[NH3+])CO)c(=O)[nH]c([nH]2)N,356.37800000000004,-1.3581,90.7307,175.89,31,5,8,NQVUSPZUPKXHNY-IUCAKERBSA-O,C14H24N6O5+,OCC(OCn1cnc2c1[nH]c(N)[nH]c2=O)COC(=O)C(C(C)C)[NH3+],"InChI=1S/C14H23N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,19,21H,3-4,6,15H2,1-2H3,(H3,16,18,22)/p+1/t8-,9-/m0/s1",-8.8946,-7.8232,-7.6304,-6.7484,-5.8006,-5.7046,3.682,3.7921,4.2832,4.3991,4.4486,D03256_J05AB14,00020000014010801900040000020008600020000000000002000000006400101800000800000007940e033020010000010000001008400100200a001000020008901b00001000000020000000b0000d10b0004002002006200102010022800040200000040000000080010040000000100f0180080510000130400340000100,0500001c30e005,0518c0000400004200009000200000000000000000000000000000000000000000004400c02a04,000000092004310080d63ecf1b3390679d6fdaff1d,0,0,53,2,0,9,54,55,-14.706,-6.848,2,1.0,4.447090000000001e-09,+,1.9893,-,1.9893,https://www.genome.jp/dbget-bin/www_bget?dr:D03256
3483,D07249, Brivudine (INN), Nucleosides and nucleotides excl. reverse transcriptase inhibitors,J05AB15,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(n2c(=O)[nH]c(=O)c(c2)/C=C/Br)O[C@@H]([C@H](C1)O)CO,333.135,-0.4571,71.0683,104.55,18,3,6,ODZBBRURCPAEIQ-PIXDULNESA-N,C11H13BrN2O5,BrC=Cc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,"InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1",-4.606,-4.1286,-3.5588,-3.3558,-3.2271,-3.1728,1.7751,1.7851,1.8098,1.926,2.3545,D07249_J05AB15,800000080c00285400004601004200006000049000020020020000c00004041010043008410080251000001020000886011000400000c00900800082000020004c801c018010a8001001c80300900000008001400c00000cb8009081000100060004000000060080404100006600180010060182000000004080400502000008,0000003c30b001,023800000000000020008000200000004042040000008d00000000000000000000000641433804,00000000102010218194168f877291c3bdedea7f1f,0,6,24,3,0,3,32,33,-9.248,-0.7959999999999999,3,1.0,0.049423151,+,0.5002,-,0.5002,https://www.genome.jp/dbget-bin/www_bget?dr:D07249
3484,D08483, Rimantadine (INN), Cyclic amines,J05AC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12([C@H](C)[NH3+])C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,180.31,1.8332,57.1611,27.64,22,1,0,UBCHPRBFMUDMNC-SVNGYHJRSA-O,C12H22N+,CC(C12CC3CC(C2)CC(C1)C3)[NH3+],"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/p+1/t8-,9-,10+,11-,12-/m0/s1",-5.3787,-5.3759,-5.3706,-4.1295,0.0,0.0,1.5432,1.5435,1.5535,1.7558,1.764,D08483_J05AC02,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0f00c0000400000000000000000000000000000000000000000000000000000000008000c02204,00000000000001000200000210810880000041a815,0,0,37,0,0,1,35,37,-13.697000000000001,-3.907,1,0.0,2.30797e-05,+,1.0868,-,1.0868,https://www.genome.jp/dbget-bin/www_bget?dr:D08483
3485,D00901, Rimantadine hydrochloride (USAN), Cyclic amines,J05AC02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@]12([C@H](C)[NH3+])C[C@H]3C[C@@H](C1)C[C@@H](C2)C3,180.31,1.8332,57.1611,27.64,22,1,0,UBCHPRBFMUDMNC-SVNGYHJRSA-O,C12H22N+,CC(C12CC3CC(C2)CC(C1)C3)[NH3+],"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/p+1/t8-,9-,10+,11-,12-/m0/s1",-5.3787,-5.3759,-5.3706,-4.1295,0.0,0.0,1.5432,1.5435,1.5535,1.7558,1.764,D00901_J05AC02,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0f00c0000400000000000000000000000000000000000000000000000000000000008000c02204,00000000000001000200000210810880000041a815,0,0,37,0,0,1,35,37,-13.695,-3.907,1,1.0,2.3076399999999998e-05,+,1.0868,-,1.0868,https://www.genome.jp/dbget-bin/www_bget?dr:D00901
3486,D00579, Foscarnet sodium (USAN/INN), Phosphonic acid derivatives,J05AD01,ANTIINFECTIVES FOR SYSTEMIC USE,P(=O)(C(=O)O)(O)O,126.005,-0.1579,20.0689,104.64,5,3,5,ZJAOAACCNHFJAH-UHFFFAOYSA-N,CH3O5P,OC(=O)P(=O)(O)O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",-8.8857,-8.6621,-8.6621,-4.3884,-4.2135,-4.1125,3.3099,3.4234,3.6531,4.3325,4.4662,D00579_J05AD01,0480000000000004000000000000000000400100000000000000000000000000000000000000000000084005000000000000000000000000040008002800000008000000000000000000020000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000001004000000000040402800,0000001000842000900000002082000c860c0a5208,0,0,7,2,0,1,10,9,6.249,17.142,0,,0.0,+,0.3808,-,0.3808,https://www.genome.jp/dbget-bin/www_bget?dr:D00579
3487,D02267, Foscarnet sodium hydrate (JAN), Phosphonic acid derivatives,J05AD01,ANTIINFECTIVES FOR SYSTEMIC USE,P(=O)(C(=O)O)(O)O,126.005,-0.1579,20.0689,104.64,5,3,5,ZJAOAACCNHFJAH-UHFFFAOYSA-N,CH3O5P,OC(=O)P(=O)(O)O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",-8.8853,-8.6621,-8.6621,-4.3881,-4.2133,-4.1126,3.3098,3.4234,3.6531,4.3321,4.4661,D02267_J05AD01,0480000000000004000000000000000000400100000000000000000000000000000000000000000000084005000000000000000000000000040008002800000008000000000000000000020000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000001004000000000040402800,0000001000842000900000002082000c860c0a5208,0,0,7,2,0,1,10,9,6.249,17.142,0,,0.0,+,0.3808,-,0.3808,https://www.genome.jp/dbget-bin/www_bget?dr:D02267
3488,D04254, Fosfonet sodium (USAN/INN), Phosphonic acid derivatives,J05AD02,ANTIINFECTIVES FOR SYSTEMIC USE,P(=O)(CC(=O)O)(O)O,140.032,-0.7513,24.4869,104.64,7,3,5,XUYJLQHKOGNDPB-UHFFFAOYSA-N,C2H5O5P,OC(=O)CP(=O)(O)O,"InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",-8.6363,-8.6258,-8.3769,-4.569,-4.4246,-3.9383,3.0258,3.4643,3.6189999999999998,4.0761,4.0893,D04254_J05AD02,01800000000000400000000000001000004001000004000000000000000000000000000000000001000a1005000000000000000010000000020000002800000008000800000000000000020000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000002000000000000,0400000c00a002,000000000000000000008800000000000000000000000000000000001004000000000000402800,000000100084100010000001a082000c8e0c0a5708,0,0,10,2,0,2,13,12,4.194,15.995,0,1.0,,-,0.4384,-,0.4384,https://www.genome.jp/dbget-bin/www_bget?dr:D04254
3489,D00429, Saquinavir (JAN/USP/INN), Protease inhibitors,J05AE01,ANTIINFECTIVES FOR SYSTEMIC USE,[N@@H+]1([C@@H](C[C@H]2[C@@H](C1)CCCC2)C(=O)NC(C)(C)C)C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1nc2c(cc1)cccc2)CC(=O)N)O,671.8489999999999,5.1175,193.829,167.95,61,6,10,QWAXKHKRTORLEM-UGJKXSETSA-O,C38H51N6O5+,NC(=O)CC(C(=O)NC(C(C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/p+1/t26-,27+,30-,31-,32-,33+/m0/s1",-6.0266,-5.0456,-4.7887,-4.6092,-4.4528,-4.3065,2.6239,2.6315,2.948,2.989,2.9943,D00429_J05AE01,00668000004006a0130006000601000c0000009040000000000000c0001010001c0050834120802318862b3800010040010200001020600203000002000000100c010c0240041a80022070000a88000e00b0035004003908e0090900800830000d3000220000000000001000a0000400000e011402411000007c000102800300,0500002c00f001,0728400204000000000080000e0000000001000000009000000000000000000000004640c02a04,000000000000310003c63a4e9be1b0838d3fffff1f,0,17,83,4,0,16,100,104,-10.57,-3.823,7,1.0,0.229337022,+,5.3431,-,5.3431,https://www.genome.jp/dbget-bin/www_bget?dr:D00429
3490,D01160, Saquinavir mesylate (USP), Protease inhibitors,J05AE01,ANTIINFECTIVES FOR SYSTEMIC USE,[N@@H+]1([C@@H](C[C@H]2[C@@H](C1)CCCC2)C(=O)NC(C)(C)C)C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1nc2c(cc1)cccc2)CC(=O)N)O,671.8489999999999,5.1175,193.829,167.95,61,6,10,QWAXKHKRTORLEM-UGJKXSETSA-O,C38H51N6O5+,NC(=O)CC(C(=O)NC(C(C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/p+1/t26-,27+,30-,31-,32-,33+/m0/s1",-6.0258,-4.9454,-4.7636,-4.5671,-4.4412,-4.3039,2.6381,2.7239,2.8823,2.9109,2.9317,D01160_J05AE01,00668000004006a0130006000601000c0000009040000000000000c0001010001c0050834120802318862b3800010040010200001020600203000002000000100c010c0240041a80022070000a88000e00b0035004003908e0090900800830000d3000220000000000001000a0000400000e011402411000007c000102800300,0500002c00f001,0728400204000000000080000e0000000001000000009000000000000000000000004640c02a04,000000000000310003c63a4e9be1b0838d3fffff1f,0,17,83,4,0,16,100,104,-10.571,-3.8280000000000003,7,,0.22928386899999997,+,5.3431,-,5.3431,https://www.genome.jp/dbget-bin/www_bget?dr:D01160
3491,D03833, Indinavir (USAN), Protease inhibitors,J05AE02,ANTIINFECTIVES FOR SYSTEMIC USE,c12[C@@H]([C@@H](Cc1cccc2)O)NC(=O)[C@H](Cc1ccccc1)C[C@@H](C[N@H+]1[C@@H](C[N@H+](CC1)Cc1cccnc1)C(=O)NC(C)(C)C)O,615.805,3.9529,184.546,120.43,56,6,7,CBVCZFGXHXORBI-PXQQMZJSSA-P,C36H49N5O4++,OC(C[NH+]1CC[NH+](CC1C(=O)NC(C)(C)C)Cc1cccnc1)CC(C(=O)NC1C(O)Cc2c1cccc2)Cc1ccccc1,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/p+2/t28-,29+,31+,32-,33+/m1/s1",-6.0253,-5.9536,-5.7716,-4.9768,-4.5743,-4.546,2.6344,2.7529,2.9212,2.9876,3.1413,D03833_J05AE02,002e0080004004201b080600020140080000009000400008000000c0001804001800500223408023308e0438000102c0010200001820600004000002000002180c000e0080041c80033020009288000e00b0014004003009e009090000080000001000220040000000000000c0101c00100601140249100000d680010a000510,0500002c00f001,0728400204000000000080000a0000000000000000009000000000000000000000004600c02a04,000000000000310003c632ce9be1b0c39dffffff1f,0,18,78,2,0,14,94,98,-12.413,-7.809,7,1.0,7.68959e-05,-,3.8822,-,3.8822,https://www.genome.jp/dbget-bin/www_bget?dr:D03833
3492,D00897, Indinavir sulfate (USAN), Protease inhibitors,J05AE02,ANTIINFECTIVES FOR SYSTEMIC USE,c12[C@@H]([C@@H](Cc1cccc2)O)NC(=O)[C@H](Cc1ccccc1)C[C@@H](C[N@H+]1[C@@H](C[N@H+](CC1)Cc1cccnc1)C(=O)NC(C)(C)C)O,615.805,3.9529,184.546,120.43,56,6,7,CBVCZFGXHXORBI-PXQQMZJSSA-P,C36H49N5O4++,OC(C[NH+]1CC[NH+](CC1C(=O)NC(C)(C)C)Cc1cccnc1)CC(C(=O)NC1C(O)Cc2c1cccc2)Cc1ccccc1,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/p+2/t28-,29+,31+,32-,33+/m1/s1",-6.0093,-6.0039,-5.8158,-5.0288,-4.5816,-4.5462,2.6167,2.6276,3.0095,3.0692,3.0917,D00897_J05AE02,002e0080004004201b080600020140080000009000400008000000c0001804001800500223408023308e0438000102c0010200001820600004000002000002180c000e0080041c80033020009288000e00b0014004003009e009090000080000001000220040000000000000c0101c00100601140249100000d680010a000510,0500002c00f001,0728400204000000000080000a0000000000000000009000000000000000000000004600c02a04,000000000000310003c632ce9be1b0c39dffffff1f,0,18,78,2,0,14,94,98,-12.425999999999998,-7.841,7,-1.0,7.84103e-05,-,3.8822,-,3.8822,https://www.genome.jp/dbget-bin/www_bget?dr:D00897
3493,D02861, Indinavir sulfate ethanolate (JAN), Protease inhibitors,J05AE02,ANTIINFECTIVES FOR SYSTEMIC USE,c12[C@@H]([C@@H](Cc1cccc2)O)NC(=O)[C@H](Cc1ccccc1)C[C@@H](C[N@H+]1[C@@H](C[N@H+](CC1)Cc1cccnc1)C(=O)NC(C)(C)C)O,615.805,3.9529,184.546,120.43,56,6,7,CBVCZFGXHXORBI-PXQQMZJSSA-P,C36H49N5O4++,OC(C[NH+]1CC[NH+](CC1C(=O)NC(C)(C)C)Cc1cccnc1)CC(C(=O)NC1C(O)Cc2c1cccc2)Cc1ccccc1,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/p+2/t28-,29+,31+,32-,33+/m1/s1",-6.023,-5.9606,-5.7725,-4.992,-4.5665,-4.5607,2.6324,2.7479,2.9415,2.9894,3.1552,D02861_J05AE02,002e0080004004201b080600020140080000009000400008000000c0001804001800500223408023308e0438000102c0010200001820600004000002000002180c000e0080041c80033020009288000e00b0014004003009e009090000080000001000220040000000000000c0101c00100601140249100000d680010a000510,0500002c00f001,0728400204000000000080000a0000000000000000009000000000000000000000004600c02a04,000000000000310003c632ce9be1b0c39dffffff1f,0,18,78,2,0,14,94,98,-12.462,-7.769,7,,8.70376e-05,-,3.8822,-,3.8822,https://www.genome.jp/dbget-bin/www_bget?dr:D02861
3494,D00427, Ritonavir (JAN/USAN/INN), Protease inhibitors,J05AE03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H](Cc1ccccc1)(C[C@@H]([C@H](Cc1ccccc1)NC(=O)OCc1cncs1)O)NC(=O)[C@@H](NC(=O)N(Cc1nc(sc1)C(C)C)C)C(C)C,720.944,7.0779,197.824,202.26,59,4,13,NCDNCNXCDXHOMX-XGKFQTDJSA-N,C37H48N6O5S2,O=C(NC(C(CC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",-5.9484,-5.4798,-5.1509,-4.6283,-4.617,-4.3548,2.3295,2.3988,2.6073,2.6237,2.7204,D00427_J05AE03,012609a0004002a0031006040612080c04102290010020000288008c011005021c005193c9001023d01e3d780029008041ca00815028c100a004080210c002002c001e00002002000120210052b0000400b003f0008a3108c0084a00800b60100ff001208420000002801200c2000800100e01340a091010007040010a000301,0400002c30b041,0728000000000000000080000a000000004004010000d000000000000000000000000600403804,00004000184030000152b5de897294278d3fdbff1f,0,22,76,3,0,22,98,101,-9.541,-0.49,4,,0.9661055209999999,+,5.5073,-,5.5073,https://www.genome.jp/dbget-bin/www_bget?dr:D00427
3495,D08259, Nelfinavir (INN), Protease inhibitors,J05AE04,ANTIINFECTIVES FOR SYSTEMIC USE,Oc1c(c(C(=O)N[C@H]([C@@H](C[N@H+]2[C@@H](C[C@H]3[C@@H](C2)CCCC3)C(=O)NC(C)(C)C)O)CSc2ccccc2)ccc1)C,568.79,5.6815,167.135,128.4,53,5,7,QAGYKUNXZHXKMR-HKWSIXNMSA-O,C32H46N3O4S+,OC(C(NC(=O)c1cccc(c1C)O)CSc1ccccc1)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/p+1/t22-,23+,26-,27-,29+/m0/s1",-6.0037,-5.0664,-4.6306,-4.5516,-4.342,-4.0912,2.5927,2.6171,2.6871,2.8237,2.9742,D08259_J05AE04,20220103004006b011000600001100081000009000420000000000c0002000001d0054060105800310860a3900000280010302000060000200000002000000140820082000041886022124000a88010600b0057000006000e049000200000004001000220000000200800080800000000006111c00011220085e804508000100,0500002c02f101,0728480224000000000080000a0000000001000000010000000000000000000000004640c03a04,000000000000318402c6b34e9ae131c38dffffff1f,0,12,75,2,0,12,86,89,-10.797,-3.835,6,0.0,0.826687038,-,2.8702,-,2.8702,https://www.genome.jp/dbget-bin/www_bget?dr:D08259
3496,D00899, Nelfinavir mesylate (USAN/INN), Protease inhibitors,J05AE04,ANTIINFECTIVES FOR SYSTEMIC USE,Oc1c(c(C(=O)N[C@H]([C@@H](C[N@H+]2[C@@H](C[C@H]3[C@@H](C2)CCCC3)C(=O)NC(C)(C)C)O)CSc2ccccc2)ccc1)C,568.79,5.6815,167.135,128.4,53,5,7,QAGYKUNXZHXKMR-HKWSIXNMSA-O,C32H46N3O4S+,OC(C(NC(=O)c1cccc(c1C)O)CSc1ccccc1)C[NH+]1CC2CCCCC2CC1C(=O)NC(C)(C)C,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/p+1/t22-,23+,26-,27-,29+/m0/s1",-6.0099,-4.9924,-4.6487,-4.4969,-4.3432,-4.1752,2.5865,2.6603,2.6710000000000003,2.884,2.9641,D00899_J05AE04,20220103004006b011000600001100081000009000420000000000c0002000001d0054060105800310860a3900000280010302000060000200000002000000140820082000041886022124000a88010600b0057000006000e049000200000004001000220000000200800080800000000006111c00011220085e804508000100,0500002c02f101,0728480224000000000080000a0000000001000000010000000000000000000000004640c03a04,000000000000318402c6b34e9ae131c38dffffff1f,0,12,75,2,0,12,86,89,-10.833,-3.7680000000000002,6,,0.8316662909999999,-,2.8702,-,2.8702,https://www.genome.jp/dbget-bin/www_bget?dr:D00899
3497,D00894, Amprenavir (JAN/USAN/INN), Protease inhibitors,J05AE05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(ccc(cc1)N)S(=O)(=O)N(C[C@H]([C@@H](NC(=O)O[C@@H]1COCC1)Cc1ccccc1)O)CC(C)C,505.62699999999995,4.4557,133.616,139.57,44,3,9,YMARZQAQMVYCKC-OEMFJLHTSA-N,C25H35N3O6S,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1CCOC1)O)C,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",-10.2929,-9.5023,-9.0696,-5.9282,-5.202000000000001,-5.1077,2.6355,2.6413,2.7244,2.8473,3.0329,D00894_J05AE05,70260100000000801b000620000600046c002010000000000e10008000040002580050d940001027900c2818000100c00376000100084001000008020020021008001a004000e88001012000028000001080016004203008e0094801002a5400440000200000000000800200900008000006b1010a0510010174c00112000000,0000002c30b021,07a840088000000000000000000000000040000100000000000024000000000000000641402804,000040800100649f8483ade7a8fa346edf6fdfff1f,0,12,57,3,0,13,70,72,-9.392000000000001,-1.238,3,,0.52047348,+,1.8024,-,1.8024,https://www.genome.jp/dbget-bin/www_bget?dr:D00894
3498,D02497, Fosamprenavir (INN), Protease inhibitors,J05AE07,ANTIINFECTIVES FOR SYSTEMIC USE,N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC1)OP(=O)(O)O)(S(=O)(=O)c1ccc(cc1)N)CC(C)C,585.607,4.5727,144.526,195.91,46,4,12,MLBVMOWEQCZNCC-OEMFJLHTSA-N,C25H36N3O9PS,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1CCOC1)OP(=O)(O)O)C,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",-10.5875,-10.4986,-10.2543,-10.0384,-9.3619,-9.333,3.0585,3.0782,3.5621,5.0668,5.0701,D02497_J05AE07,70a60100000042801f000620000600046c002130000000020e10008000440002580050d940001027900c281c000100c0037600010008400100000802a0200e1008061a004000ea802101220002800000108001e004203008e0094801002a5400440000208040000000800200940008000006b1010a0510010174c00112000000,0000000030b021,078040080000000000000000000000000040000100000000000024000010200000000641402804,000040900184449f9483ade7a8fa346edf6fdfff1f,0,12,61,4,0,15,75,77,-0.07400000000000001,3.5460000000000003,3,1.0,5.582029999999999e-10,-,2.3578,-,2.3578,https://www.genome.jp/dbget-bin/www_bget?dr:D02497
3499,D02867, Fosamprenavir calcium hydrate (JAN), Protease inhibitors,J05AE07,ANTIINFECTIVES FOR SYSTEMIC USE,N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC1)OP(=O)(O)O)(S(=O)(=O)c1ccc(cc1)N)CC(C)C,585.607,4.5727,144.526,195.91,46,4,12,MLBVMOWEQCZNCC-OEMFJLHTSA-N,C25H36N3O9PS,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1CCOC1)OP(=O)(O)O)C,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",-10.6374,-10.5843,-10.2147,-9.9656,-9.6818,-8.9827,3.9172,4.1459,4.4647,4.9689,5.2982,D02867_J05AE07,70a60100000042801f000620000600046c002130000000020e10008000440002580050d940001027900c281c000100c0037600010008400100000802a0200e1008061a004000ea802101220002800000108001e004203008e0094801002a5400440000208040000000800200940008000006b1010a0510010174c00112000000,0000000030b021,078040080000000000000000000000000040000100000000000024000010200000000641402804,000040900184449f9483ade7a8fa346edf6fdfff1f,0,12,61,4,0,15,75,77,-0.10099999999999999,3.5269999999999997,3,1.0,4.0307700000000004e-10,-,2.3578,-,2.3578,https://www.genome.jp/dbget-bin/www_bget?dr:D02867
3500,D03835, Fosamprenavir calcium (USAN), Protease inhibitors,J05AE07,ANTIINFECTIVES FOR SYSTEMIC USE,N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC1)OP(=O)(O)O)(S(=O)(=O)c1ccc(cc1)N)CC(C)C,585.607,4.5727,144.526,195.91,46,4,12,MLBVMOWEQCZNCC-OEMFJLHTSA-N,C25H36N3O9PS,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1CCOC1)OP(=O)(O)O)C,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",-10.6139,-10.5715,-10.2732,-10.1296,-9.3924,-9.2961,3.076,3.1429,3.5271,5.1098,5.1943,D03835_J05AE07,70a60100000042801f000620000600046c002130000000020e10008000440002580050d940001027900c281c000100c0037600010008400100000802a0200e1008061a004000ea802101220002800000108001e004203008e0094801002a5400440000208040000000800200940008000006b1010a0510010174c00112000000,0000000030b021,078040080000000000000000000000000040000100000000000024000010200000000641402804,000040900184449f9483ade7a8fa346edf6fdfff1f,0,12,61,4,0,15,75,77,-0.07200000000000001,3.545,3,0.0,5.67325e-10,-,2.3578,-,2.3578,https://www.genome.jp/dbget-bin/www_bget?dr:D03835
3501,D03837, Fosamprenavir sodium (USAN), Protease inhibitors,J05AE07,ANTIINFECTIVES FOR SYSTEMIC USE,N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC1)OP(=O)(O)O)(S(=O)(=O)c1ccc(cc1)N)CC(C)C,585.607,4.5727,144.526,195.91,46,4,12,MLBVMOWEQCZNCC-OEMFJLHTSA-N,C25H36N3O9PS,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1CCOC1)OP(=O)(O)O)C,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",-10.6373,-10.5473,-10.2769,-9.3248,-9.3014,-8.6199,2.9279,3.1044,3.7161,4.8587,4.9778,D03837_J05AE07,70a60100000042801f000620000600046c002130000000020e10008000440002580050d940001027900c281c000100c0037600010008400100000802a0200e1008061a004000ea802101220002800000108001e004203008e0094801002a5400440000208040000000800200940008000006b1010a0510010174c00112000000,0000000030b021,078040080000000000000000000000000040000100000000000024000010200000000641402804,000040900184449f9483ade7a8fa346edf6fdfff1f,0,12,61,4,0,15,75,77,-0.107,3.549,3,0.0,2.43108e-10,-,2.3578,-,2.3578,https://www.genome.jp/dbget-bin/www_bget?dr:D03837
3502,D07471, Atazanavir (INN), Protease inhibitors,J05AE08,ANTIINFECTIVES FOR SYSTEMIC USE,C([N@@H+](C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)O)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)c1ccc(cc1)c1ncccc1,705.863,4.3581,195.016,172.42,65,6,12,AXRYRYVKAWYZBR-GASGPIRDSA-O,C38H53N6O7+,COC(=O)NC(C(C)(C)C)C(=O)N[NH+](Cc1ccc(cc1)c1ccccn1)CC(C(Cc1ccccc1)NC(=O)C(C(C)(C)C)NC(=O)OC)O,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/p+1/t29-,30-,31+,32+/m0/s1",-5.9739,-5.945,-5.3660000000000005,-5.2452,-4.388999999999999,-4.33,2.322,2.3534,2.6286,2.6456,2.6685,D07471_J05AE08,88260400004804a013044e000443000d6000009040000010020000c0000000001800508341408173108e2838000100c0010240101000700400200802000002100c001e0280041a20002020000288008c00b001401c803008e80d0850800b90031c1008220000010000800100a00104000006011442611000007400090e200000,0500002c30f001,0b28000000000000000080000a0000000040000100009000000000000000000000000600c02a04,00004000000039201bc2227e8be2102f8d3fdbff1f,0,18,84,4,0,22,104,106,-11.783,-4.601,5,0.0,,-,6.0522,-,6.0522,https://www.genome.jp/dbget-bin/www_bget?dr:D07471
3503,D01276, Atazanavir sulfate (JAN/USAN), Protease inhibitors,J05AE08,ANTIINFECTIVES FOR SYSTEMIC USE,C([N@@H+](C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)O)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)c1ccc(cc1)c1ncccc1,705.863,4.3581,195.016,172.42,65,6,12,AXRYRYVKAWYZBR-GASGPIRDSA-O,C38H53N6O7+,COC(=O)NC(C(C)(C)C)C(=O)N[NH+](Cc1ccc(cc1)c1ccccn1)CC(C(Cc1ccccc1)NC(=O)C(C(C)(C)C)NC(=O)OC)O,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/p+1/t29-,30-,31+,32+/m0/s1",-6.0048,-5.8294,-5.432,-5.2353,-4.3828,-4.3115,2.3221,2.3577,2.5317,2.6155,2.6221,D01276_J05AE08,88260400004804a013044e000443000d6000009040000010020000c0000000001800508341408173108e2838000100c0010240101000700400200802000002100c001e0280041a20002020000288008c00b001401c803008e80d0850800b90031c1008220000010000800100a00104000006011442611000007400090e200000,0500002c30f001,0b28000000000000000080000a0000000040000100009000000000000000000000000600c02a04,00004000000039201bc2227e8be2102f8d3fdbff1f,0,18,84,4,0,22,104,106,-11.783,-4.6,5,0.0,,-,6.0522,-,6.0522,https://www.genome.jp/dbget-bin/www_bget?dr:D01276
3504,D08605, Tipranavir (INN), Protease inhibitors,J05AE09,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ncc(c1)C(F)(F)F)S(=O)(=O)Nc1cc(ccc1)[C@H](C1=C(C[C@](OC1=O)(CCc1ccccc1)CCC)O)CC,602.664,8.4793,153.797,113.97,40,2,7,SUJUHGSWHZTSEU-FYBSXPHGSA-N,C31H33F3N2O5S,CCCC1(CCc2ccccc2)CC(=C(C(=O)O1)C(c1cccc(c1)NS(=O)(=O)c1ccc(cn1)C(F)(F)F)CC)O,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",-9.7109,-9.3342,-8.9063,-4.7686,-4.7597,-4.4834,2.4126,2.7276,2.8347,3.6131,3.9739999999999998,D08605_J05AE09,70060100000012241a000620024640002c0000902060400800040090821c24001800400860a08421808a2018200100e001e800011820652104001002202482000c120e00441428800308a002008c06840090006004229048500898010008400102140008810e00820000e00048100c001003b11042491001081000015a000500,0400000d30b005,07010000000000008000a00000000000c001000000009000000024000000000000000640607804,000000800142469f17498165a68eb6cdff6dfffe1f,3,18,56,4,0,12,75,78,-9.253,-1.767,2,-1.0,0.99545151,+,2.7035,-,2.7035,https://www.genome.jp/dbget-bin/www_bget?dr:D08605
3505,D03843, Tipranavir disodium (USAN), Protease inhibitors,J05AE09,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ncc(c1)C(F)(F)F)S(=O)(=O)Nc1cc(ccc1)[C@H](C1=C(C[C@](OC1=O)(CCc1ccccc1)CCC)O)CC,602.664,8.4793,153.797,113.97,38,2,7,SUJUHGSWHZTSEU-FYBSXPHGSA-N,C31H33F3N2O5S,CCCC1(CCc2ccccc2)CC(=C(C(=O)O1)C(c1cccc(c1)NS(=O)(=O)c1ccc(cn1)C(F)(F)F)CC)O,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",-9.3465,-9.3462,-9.1615,-4.8302,-4.6209,-4.4832,2.4093,2.7099,2.7823,3.4768,3.8941,D03843_J05AE09,70060100000012241a000620024640002c0000902060400800040090821c24001800400860a08421808a2018200100e001e800011820652104001002202482000c120e00441428800308a002008c06840090006004229048500898010008400102140008810e00820000e00048100c001003b11042491001081000015a000500,0400000d30b005,07010000000000008000a00000000000c001000000009000000024000000000000000640607804,000000800142469f17498165a68eb6cdff6dfffe1f,3,18,56,4,0,12,75,78,-4.973,-3.3710000000000004,2,,0.9863801,+,2.6901,-,2.6901,https://www.genome.jp/dbget-bin/www_bget?dr:D03843
3506,D03656, Darunavir (USAN/INN), Protease inhibitors,J05AE10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(OC(=O)N[C@H]([C@@H](CN(S(=O)(=O)c2ccc(cc2)N)CC(C)C)O)Cc2ccccc2)[C@H]2[C@@H](OC1)OCC2,547.664,4.4282,142.201,148.8,47,3,10,CJBJHOAVZSMMDJ-HEXNFIEUSA-N,C27H37N3O7S,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1COC2C1CCO2)O)C,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",-10.184,-9.3918,-9.326,-6.0458,-5.1907,-5.1025,2.5963,2.6653,2.7006,2.7552,3.0307,D03656_J05AE10,70260100000020801b000620000600046c002034000000000e10008000040002580050d940001027900c2818200110c00376000100884011000008020020821008903a004000e88001012002028000001080016004203008e0094801002a7400440000a80028000000800200d00028000007b1010a0510010174c00112000000,0000002c30b021,072840088000804000000000000000000040000100000000000024000000000000004641402804,000040800100649f8483ade7b8fbb4eedf6fdfff1f,0,12,63,3,0,13,75,78,-9.423,-1.266,5,,0.552290976,+,2.4171,-,2.4171,https://www.genome.jp/dbget-bin/www_bget?dr:D03656
3507,D06478, Darunavir ethanolate (JAN), Protease inhibitors,J05AE10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(OC(=O)N[C@H]([C@@H](CN(S(=O)(=O)c2ccc(cc2)N)CC(C)C)O)Cc2ccccc2)[C@H]2[C@@H](OC1)OCC2,547.664,4.4282,142.201,148.8,47,3,10,CJBJHOAVZSMMDJ-HEXNFIEUSA-N,C27H37N3O7S,CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1COC2C1CCO2)O)C,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",-10.3166,-9.3978,-9.2028,-5.9103,-5.3196,-5.107,2.5703,2.5743,2.6364,2.6842,3.0611,D06478_J05AE10,70260100000020801b000620000600046c002034000000000e10008000040002580050d940001027900c2818200110c00376000100884011000008020020821008903a004000e88001012002028000001080016004203008e0094801002a7400440000a80028000000800200d00028000007b1010a0510010174c00112000000,0000002c30b021,072840088000804000000000000000000040000100000000000024000000000000004641402804,000040800100649f8483ade7b8fbb4eedf6fdfff1f,0,12,63,3,0,13,75,78,-9.42,-1.27,5,0.0,0.54512465,+,2.4171,-,2.4171,https://www.genome.jp/dbget-bin/www_bget?dr:D06478
3508,D09012, Telaprevir (JAN/USAN/INN), Protease inhibitors,J05AE11,ANTIINFECTIVES FOR SYSTEMIC USE,N(C(=O)c1cnccn1)[C@H](C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C(=O)C(=O)NC1CC1)CCC)CCC2)C(C)(C)C)C1CCCCC1,679.8489999999999,3.9474,186.738,179.56,66,4,13,BBAWEDCPNXPBQM-GDEBMMAJSA-N,C36H53N7O6,CCCC(C(=O)C(=O)NC1CC1)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C1CCCCC1)NC(=O)c1nccnc1,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",-4.3272,-4.3241,-4.3068,-4.1118,-3.8751,-3.8339999999999996,2.2387,2.3812,2.6077,2.6184,2.6224,D09012_J05AE11,00220080004002a01108060104000008040000900000000800000000001014001800100203400021308e0f3000000080010200001020000203000002000002080401040000048280012010011a80000e0030014000002901a0010100000000140930002000c000001000100040000000100c0014000810000034800102800110,1400000000b001,0f00000000000100000080001a0000404000000000009000000000000000000000004640402804,000020000000300083c614ce9be1b6839539ffef1f,0,6,94,6,0,19,102,106,-9.737,-0.665,6,0.0,0.616490901,+,7.3811,-,7.3811,https://www.genome.jp/dbget-bin/www_bget?dr:D09012
3509,D08876, Boceprevir (INN/USAN), Protease inhibitors,J05AE12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]12CN([C@@H]([C@H]1C2(C)C)C(=O)N[C@H](C(=O)C(=O)N)CC1CCC1)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C,519.677,3.5221,144.392,150.7,55,4,10,LHHCSNFAOIFYRV-ZYNAIFEFSA-N,C27H45N5O5,O=C(NC(C)(C)C)NC(C(C)(C)C)C(=O)N1CC2C(C1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C,"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,20+/m0/s1",-5.3146,-5.2933,-5.2872,-4.6018,-4.345,-4.2186,2.5947,2.6273,2.6388,2.8503,3.0615,D08876_J05AE12,0022000000400220110004000000000800000010000000000000000000100100180010020300000030060d3000010000010200005020000001000000100000000000000000000080112000011ab0000e0030015000002000800102000000000408200020040000001000000000000000000c0004000010000034000100000100,1400000000a041,0f00000000000100000080001e0000000040040000000000000000000000000000004440402804,000420001004100082d61ccc8beb38838539feef1d,0,0,79,5,0,14,82,84,-9.416,-0.40700000000000003,5,0.0,0.11287763,+,9.4568,-,9.4568,https://www.genome.jp/dbget-bin/www_bget?dr:D08876
3510,D10081, Simeprevir (JAN/USAN), Protease inhibitors,J05AE14,ANTIINFECTIVES FOR SYSTEMIC USE,C1CCCN(C(=O)[C@H]2[C@H](C(=O)N[C@]3([C@@H](/C=C\1)C3)C(=O)NS(=O)(=O)C1CC1)C[C@H](C2)Oc1c2c(nc(c1)c1csc(n1)C(C)C)c(c(cc2)OC)C)C,749.939,6.9925,208.52200000000002,193.51,59,2,13,JITODEVMIJLXIR-DKNYXMQZSA-N,C38H47N5O7S2,COc1ccc2c(c1C)nc(cc2OC1CC2C(C1)C(=O)N(C)CCCCC=CC1C(NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1csc(n1)C(C)C,"InChI=1S/C38H47N5O7S2/c1-21(2)35-40-30(20-51-35)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24+,27+,28+,38+/m0/s1",-9.6872,-9.1719,-9.1386,-6.577999999999999,-5.3737,-4.7307,2.3979,2.7988,2.9261,2.9645,3.7128,D10081_J05AE14,712aa52100580664811426850e43000c4c100090484262080000108c0010a402380055b209c090a1988604fd00080041017a461218206944c421001200c082020ca00c0241244291810044017ac8820e20b803d104ae2000d8c8500000052010ca94092080000ec64000100220101c201007b111084910200830024d8a020704,0400000050b001,17000200000000000000800020000000000000000000d000000020000000000000004600432805,00002080094064ba1747b5ffbfebbdeb8ff9fffb1f,0,16,83,6,0,9,99,105,-8.597000000000001,-1.7109999999999999,5,2.0,0.990522683,+,13.1151,-,13.1151,https://www.genome.jp/dbget-bin/www_bget?dr:D10081
3511,D10093, Asunaprevir (JAN/USAN), Protease inhibitors,J05AE15,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(c(cnc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)ccc(c2)Cl,748.2860000000001,6.0452,194.55900000000003,190.71,60,3,14,XRWSZZJLZRKHHD-RPABVHLTSA-N,C35H46ClN5O9S,C=CC1CC1(NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1,"InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21+,25-,27+,35+/m0/s1",-9.5017,-9.1793,-9.1321,-6.6193,-6.0214,-5.3879,2.6567,2.8102,2.9145,2.9391,3.6617,D10093_J05AE15,702a0307004004a481000680000200082d802090000298000200000001240002388014b28300a033388f14bc40000240014202001008e14000050800004022120ca01e00411558b1032044091ec8800e00b8054004242400c8885000000281102814202000000a16148101028010148002073105084110601870400d82a00504,0400000070b001,1f00020000000000000080001a0004400040000100049000000020000000000000004600402804,000060800300649a1747d5ffffe7916fbf79fffb1f,0,11,83,7,0,18,97,101,-8.949,-1.5330000000000001,5,1.0,0.844822645,+,12.6238,-,12.6238,https://www.genome.jp/dbget-bin/www_bget?dr:D10093
3512,D00413, Zidovudine (JP17/USP/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF01,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(n2c(=O)[nH]c(=O)c(c2)C)C[C@@H]([C@H](O1)CO)N=[N]=N,268.249,-0.8565,63.8072,120.53,20,3,7,IEYJJQSMJONFSB-XLPZGREQSA-N,C10H14N5O4,OCC1OC(CC1N=[N]=N)n1cc(C)c(=O)[nH]c1=O,"InChI=1S/C10H14N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,11,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",-5.3162,-4.6133,-4.1657,-4.0999,-4.0449,-3.5481,1.8090000000000002,1.9038,1.9614,2.3547,2.3680000000000003,D00413_J05AF01,8000000004002840000046010142100060000410000200a0020000c00204041010043008410080271000001022000884011090410100c00800800082000030200c801c008110b8001003cc0300900000008001500c00000cb0010081000100060000000000040000dc410100c200180010060182000000000000500102000008,0000001c30b001,031800000000000000008000200000004042040000008d00000000000000000000000640403804,0000000010000821b19416ed0372d1cb9fedeaff1f,0,6,24,4,0,3,33,34,-13.154000000000002,-11.755999999999998,3,0.0,2.6782400000000003e-06,+,1.0415,-,1.0415,https://www.genome.jp/dbget-bin/www_bget?dr:D00413
3513,D00296, Didanosine (JAN/USAN/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF02,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(CC[C@@H](O1)n1c2c(nc1)c(=O)[nH]c[nH]2)CO,237.235,0.0037,59.7342,95.93,17,3,5,ASKTZLFXPDBUGE-NKWVEPMBSA-N,C10H13N4O3,OCC1CCC(O1)n1cnc2c1[nH]c[nH]c2=O,"InChI=1S/C10H13N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,11,15H,1-3H2,(H,12,16)/t6-,7+/m0/s1",-5.0879,-4.8412,-4.7658,-4.5863,-4.5711,-4.4051,2.6412,2.7437,3.2643,3.9615,4.3315,D00296_J05AF02,002a0000014018801100040000020008600020100000000002100000007401001800100a010000059406033020010000010200005008400000200a001000000008801a00000008000021000302b0000d00b0014002002006a00102000002800000200020040000000080010000001800100c0104000010000134400300000100,0400001c30a001,021800000000004203008000200000000000000000000000000000000000000000004432402804,000000082004302180d416ce1b71b0c31d67ce7f1d,0,0,36,1,0,2,35,37,-13.365,-6.097,2,-1.0,1.5681199999999998e-05,+,1.0819,-,1.0819,https://www.genome.jp/dbget-bin/www_bget?dr:D00296
3514,D00412, Zalcitabine (JAN/USP/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF03,ANTIINFECTIVES FOR SYSTEMIC USE,C1C[C@@H](O[C@@H]1CO)n1c(=O)[nH]c(cc1)N,212.226,0.2908,54.4869,93.27,18,3,5,ZXSYMQIRIVMQBN-POYBYMJQSA-N,C9H14N3O3,Nc1ccn(c(=O)[nH]1)C1CCC(O1)CO,"InChI=1S/C9H14N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,11,13H,1-2,5,10H2/t6-,8+/m0/s1",-5.6271,-5.335,-5.047,-5.0459,-4.7551,-4.6046,2.3546,2.3817,2.5967,2.6773,2.9745,D00412_J05AF03,002a000001001880110004000002000060002010000000000210000000040100380010080000000594040f1020010000010200004008400000000a000000000008801a000000080000010003029000010080014000002002a00100000002000000200020040002000080000000001800100c0100000010000134400100000000,0000001c30a041,021800000000000003000000000000000040040000000000000000000000000000000432402804,000000003004002180941e8f8b72b0c31d67ee7f1d,0,0,32,1,0,2,32,33,-13.46,-5.414,2,1.0,4.93781e-06,+,0.6203,-,0.6203,https://www.genome.jp/dbget-bin/www_bget?dr:D00412
3515,D00445, Stavudine (USAN/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF04,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1(n2c(=O)[nH]c(=O)c(c2)C)O[C@@H](C=C1)CO,224.213,-0.7091,56.4375,84.32,16,2,5,XNKLLVCARDGLGL-JGVFFNPUSA-N,C10H12N2O4,Cc1cn(C2OC(C=C2)CO)c(=O)[nH]c1=O,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",-4.6044,-4.1332,-4.0083,-3.549,-3.361,-3.3287,1.7862,1.8071,1.8468,1.9415,2.5008,D00445_J05AF04,900000000400284400004601004200046000041000024020020c00c00014040010043008418080250000001000010884003000401000410040810082100020200c001c008410a0001200c80100900098008009410c02100cb0001081000100160004002000040802404900004200080010060082001000000000408012000008,0000001c30b001,111800000000000000008000200000004042040000008d00000000000000000000000640433804,000000001000002181941689073291439cedeaff1f,0,6,20,3,0,2,28,29,-9.75,-0.151,2,2.0,0.0057728580000000005,+,0.7384,-,0.7384,https://www.genome.jp/dbget-bin/www_bget?dr:D00445
3516,D00353, Lamivudine (JAN/USP/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF05,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(n2c(=O)[nH]c(cc2)N)O[C@H](SC1)CO,230.264,0.2013,57.2709,118.57,17,3,6,IGARMXVPCDDEFO-NKWVEPMBSA-N,C8H12N3O3S,Nc1ccn(c(=O)[nH]1)C1CSC(O1)CO,"InChI=1S/C8H12N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,10,12H,3-4,9H2/t6-,7+/m0/s1",-5.6276,-5.3365,-5.0445,-5.0437,-4.7648,-4.6215,2.3657,2.3833,2.6419,2.6759,2.9789999999999996,D00353_J05AF05,00020106010010801100040000020000602020000040000012000000000403003800000c0002000494040b1100010000000300004008000000002a000000000408101a000040800100011400069000410080004000903002204102020002000010200000040002400080000600000004100c1008010010208134404000000004,0000001c30a141,021800000000004003000000000000000040040000000000000000000000000000000400402804,000000003804002180949f8f8b72b0c31d676e7f1d,0,0,30,1,0,2,30,31,-11.876,-5.531000000000001,2,1.0,7.377319999999999e-06,-,0.8114,-,0.8114,https://www.genome.jp/dbget-bin/www_bget?dr:D00353
3517,D07057, Abacavir (INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cn2)[C@@H]2C[C@@H](C=C2)CO)nc(nc1NC1CC1)N,286.332,1.7465,80.4039,101.88,24,3,7,MCGSCOLBFJQGHM-SCZZXKLOSA-N,C14H18N6O,OCC1C=CC(C1)n1cnc2c1nc(N)nc2NC1CC1,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",-6.7496,-5.1361,-5.1214,-4.7867,-4.3755,-3.7837,2.1041,2.1069999999999998,2.1211,2.476,3.1630000000000003,D07057_J05AF06,c0020000001008c40010460008000204c00000800004400000003000020000001400400044c880215000041c00001080012020800000410840410000000004200c000c1085040a000000800100100004001009410c822000c800100000014010020c100000a0080010c00000480018222006080800181800011880811a000100,0000001c00b021,161800080000000000000000000000010000000000009800000000000000000000004600433804,000020012000102001d41e829653800354254c3d1f,0,10,31,1,0,4,39,42,-8.301,0.44,2,1.0,0.019573461,+,1.7512,-,1.7512,https://www.genome.jp/dbget-bin/www_bget?dr:D07057
3518,D00891, Abacavir sulfate (JAN/USAN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cn2)[C@@H]2C[C@@H](C=C2)CO)nc(nc1NC1CC1)N,286.332,1.7465,80.4039,101.88,24,3,7,MCGSCOLBFJQGHM-SCZZXKLOSA-N,C14H18N6O,OCC1C=CC(C1)n1cnc2c1nc(N)nc2NC1CC1,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",-6.7569,-5.1429,-5.1294,-4.7864,-4.3818,-3.7864,2.094,2.1056,2.1066,2.4755,3.1694,D00891_J05AF06,c0020000001008c40010460008000204c00000800004400000003000020000001400400044c880215000041c00001080012020800000410840410000000004200c000c1085040a000000800100100004001009410c822000c800100000014010020c100000a0080010c00000480018222006080800181800011880811a000100,0000001c00b021,161800080000000000000000000000010000000000009800000000000000000000004600433804,000020012000102001d41e829653800354254c3d1f,0,10,31,1,0,4,39,42,-8.302,0.43799999999999994,2,1.0,0.019579236,+,1.7512,-,1.7512,https://www.genome.jp/dbget-bin/www_bget?dr:D00891
3519,D02734, Abacavir succinate (USAN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF06,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cn2)[C@@H]2C[C@@H](C=C2)CO)nc(nc1NC1CC1)N,286.332,1.7465,80.4039,101.88,24,3,7,MCGSCOLBFJQGHM-SCZZXKLOSA-N,C14H18N6O,OCC1C=CC(C1)n1cnc2c1nc(N)nc2NC1CC1,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",-6.7543,-5.1381,-5.1249,-4.7934,-4.3856,-3.7962,2.1031,2.1104,2.1185,2.4874,3.1639,D02734_J05AF06,c0020000001008c40010460008000204c00000800004400000003000020000001400400044c880215000041c00001080012020800000410840410000000004200c000c1085040a000000800100100004001009410c822000c800100000014010020c100000a0080010c00000480018222006080800181800011880811a000100,0000001c00b021,161800080000000000000000000000010000000000009800000000000000000000004600433804,000020012000102001d41e829653800354254c3d1f,0,10,31,1,0,4,39,42,-8.305,0.44,2,,0.019579236,+,1.7512,-,1.7512,https://www.genome.jp/dbget-bin/www_bget?dr:D02734
3520,D01982, Tenofovir disoproxil fumarate (JAN/USAN, Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF07,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1C[C@H](OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)C)c(ncn2)N,519.443,3.6168,120.917,195.25,44,1,15,JFVZFKDSXNQEJW-CQSZACIVSA-N,C19H30N5O10P,CC(Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,"InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1",-8.068,-6.0506,-5.8979,-5.7,-5.3348,-5.1103,2.9386,3.4724,3.5289,3.7215,4.2322,D01982_J05AF07,c4800000000008c000004600080200003042a12c0002000200000000000002001402000440008023d02848158040008008002080000240b000000000280022000cc42e308010080080008a0000900000009001400c800000a0000000080160000008000002c1000001c1000045000c00200e084800040880001894000b000000,0000000030b021,010000080000000003000000000000010048000000009800000000004004000000004600403804,004000182080000081d61cc13a938cafdb3bdaff1f,0,10,53,3,0,17,65,66,-8.609,-0.414,1,1.0,0.068108141,-,3.2119999999999997,-,3.2119999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D01982
3521,D01655, Adefovir dipivoxil (USAN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF08,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(ncn1CCOCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)c(ncn2)N,501.471,3.2837,122.256,176.79,44,1,13,WOZSCQDILHKSGG-UHFFFAOYSA-N,C20H32N5O8P,O=C(C(C)(C)C)OCOP(=O)(OCOC(=O)C(C)(C)C)COCCn1cnc2c1ncnc2N,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",-8.3545,-6.1302,-6.1144,-5.1208,-5.1121,-4.4638,2.6725,2.7719,2.9755,3.4202,3.8357,D01655_J05AF08,c4800000000008c000004600080200003040a1280002000200000000000002001402000440008023602a42158040008008002080000240b000000000280022000cc42e308010080080008a0000900000009001400c800000a0000000080140000008001002c9000001c1000045000c00200e094800040880001894000b000000,0400000030b025,090000080000000003009000000000010000000000009800000000004004000000004600403800,000000182080000083d63cc13adba0afdb3b5eff1f,0,10,54,3,0,15,66,67,-8.532,-0.361,0,,0.020836277,-,3.199,-,3.199,https://www.genome.jp/dbget-bin/www_bget?dr:D01655
3522,D01199, Emtricitabine (JAN/USAN/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF09,ANTIINFECTIVES FOR SYSTEMIC USE,n1([C@H]2O[C@@H](CO)SC2)cc(c([nH]c1=O)N)F,248.255,0.3404,57.2289,118.57,16,3,6,LBBPWSIRASORAN-NTSWFWBYSA-N,C8H11FN3O3S,Nc1c(F)cn(c(=O)[nH]1)C1CSC(O1)CO,"InChI=1S/C8H11FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,11,13H,2-3,10H2/t5-,6+/m0/s1",-5.598,-5.3357,-5.0489999999999995,-5.0466,-4.7671,-4.6046,2.36,2.3836,2.6024,2.6798,2.9728,D01199_J05AF09,00020106010010801100040000020000602020100040000012000000000403043800200c0002000494040b1100010000000300004008000000002a000000000408101a0000408001000154000690004100800040009830022041128203020000102000000400024000a0000600000004100c1008010010208134404000000004,0000001c30a141,001900000000004003000000000000000040040000000000000000000000000000000400402804,00000000380600218094df8f0b7690c33d676a7f1d,1,0,30,1,0,2,30,31,-11.573,-5.904,2,1.0,8.332100000000001e-06,-,1.1338,-,1.1338,https://www.genome.jp/dbget-bin/www_bget?dr:D01199
3523,D07896, Entecavir (INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF10,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cn2)[C@@H]2C(=C)[C@@H]([C@H](C2)O)CO)[nH]c([nH]c1=O)N,278.28700000000003,-0.0324,73.3554,132.95,21,5,6,PZBNWGIWYLZMGQ-FXQIFTODSA-N,C12H16N5O3,OCC1C(O)CC(C1=C)n1cnc2c1[nH]c(N)[nH]c2=O,"InChI=1S/C12H16N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,15,18-19H,1-3H2,(H3,13,16,20)/t6-,7-,8-/m0/s1",-8.8982,-7.7947,-7.6441,-6.7426,-5.7562,-5.6985,3.6839999999999997,3.7958,4.2986,4.3711,4.3778,D07896_J05AF10,002a00020140182411000401000000080000009000000800000000000330010010001002810000010006033000010000011200005020c101002500001000000008000800040400000020810102b0000d0030014002002006a00112010000000000240020040000000000000000001800000c0004000010000004008300000100,0400003c00a001,163800000000004200008000200000000000000000000000000000000000000000004400402804,000000092204322000dc1ecf9f7390c31d67ea7f1d,0,0,41,2,0,2,41,43,-12.884,-5.263,3,1.0,2.1797100000000002e-05,+,1.6471,-,1.6471,https://www.genome.jp/dbget-bin/www_bget?dr:D07896
3524,D04008, Entecavir (USAN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF10,ANTIINFECTIVES FOR SYSTEMIC USE,c12c(n(cn2)[C@@H]2C(=C)[C@@H]([C@H](C2)O)CO)[nH]c([nH]c1=O)N,278.28700000000003,-0.0324,73.3554,132.95,21,5,6,PZBNWGIWYLZMGQ-FXQIFTODSA-N,C12H16N5O3,OCC1C(O)CC(C1=C)n1cnc2c1[nH]c(N)[nH]c2=O,"InChI=1S/C12H16N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,15,18-19H,1-3H2,(H3,13,16,20)/t6-,7-,8-/m0/s1",-8.8896,-7.8021,-7.6296,-6.7522,-5.7968,-5.7056,3.6612,3.7628,4.3021,4.3814,4.3992,D04008_J05AF10,002a00020140182411000401000000080000009000000800000000000330010010001002810000010006033000010000011200005020c101002500001000000008000800040400000020810102b0000d0030014002002006a00112010000000000240020040000000000000000001800000c0004000010000004008300000100,0400003c00a001,163800000000004200008000200000000000000000000000000000000000000000004400402804,000000092204322000dc1ecf9f7390c31d67ea7f1d,0,0,41,2,0,2,41,43,-12.882,-5.263999999999999,3,1.0,2.1819899999999998e-05,+,1.6471,-,1.6471,https://www.genome.jp/dbget-bin/www_bget?dr:D04008
3525,D06675, Telbivudine (USAN/INN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF11,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H]1(C[C@H](O[C@H]1CO)n1c(=O)[nH]c(=O)c(c1)C)O,242.229,-1.5143,58.0733,104.55,19,3,6,IQFYYKKMVGJFEH-CSMHCCOUSA-N,C10H14N2O5,OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",-4.6058,-4.1263,-3.5559,-3.3571,-3.2413,-3.1817,1.7730000000000001,1.7834,1.8081,1.9563,2.3731,D06675_J05AF11,800000000400284000004601004200006000041000020020020000c00004041010043008410080251000001020000884011000400000c00900800082000020000c801c008010a8001001c80300900000008001400c00000cb0008081000100060000000000040000404100006200180010060182000000000000400102000008,0000003c30b001,033800000000000000008000200000004042040000008d00000000000000000000000641403804,00000000100010218194168f837291c39dedeaff1f,0,6,24,2,0,2,31,32,-9.666,-0.057,3,1.0,0.007100451,-,0.7168,-,0.7168,https://www.genome.jp/dbget-bin/www_bget?dr:D06675
3526,D03537, Clevudine (USAN), Nucleoside and nucleotide reverse transcriptase inhibitors,J05AF12,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@@H]([C@H]([C@H](O1)n1c(=O)[nH]c(=O)c(c1)C)F)O)CO,260.219,-1.5663,58.1243,104.55,18,3,6,GBBJCSTXCAQSSJ-XQXXSGGOSA-N,C10H13FN2O5,OCC1OC(C(C1O)F)n1cc(C)c(=O)[nH]c1=O,"InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1",-4.6139,-4.102,-3.5395,-3.3594,-3.2264,-3.1921,1.7779,1.8058,1.8522,1.9293,2.3635,D03537_J05AF12,8006000024002840000046090042002060000410a0020020020020c000040410100470084100802510000010a0010a84011000400000c00900800082000020000c801c008010a8001001c80300900000008001400c00000cb0008081000100060000000012040000404100006200180010060182000010080000400102000008,0000003c30b001,013900000000000000008000200000004042040000008d00000000000000000000000641403804,00000000100210218194568b03369143bcedeaff1f,1,6,24,2,0,2,31,32,-9.772,-0.14,4,,0.007479342,-,0.9987,-,0.9987,https://www.genome.jp/dbget-bin/www_bget?dr:D03537
3527,D00435, Nevirapine (JAN/USP/INN), Non-nucleoside reverse transcriptase inhibitors,J05AG01,ANTIINFECTIVES FOR SYSTEMIC USE,c1(=O)c2c(n(c3c([nH]1)c(ccn3)C)C1CC1)nccc2,266.298,2.4783,78.1967,63.57,17,1,4,NQDJXKOVJZTUJA-UHFFFAOYSA-N,C15H14N4O,Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",-3.6196,-3.1401,-2.8803,-2.6811,-2.6725,-1.5349,1.275,1.3138,1.3805,1.3827,1.4757,D00435_J05AG01,a004000000000cc000004600000000000000040000800008000000c000000400140410804100802170800018000000c0000000000000600000c080020000000804000c00c00034000000e00100980080000001400c00000de00000c000014006000000000080000040c0000040100c001006040000410800000880002a000002,00000000003001,030000000000000000008000200000004003000000009d00000000000000000000004640403800,000024002000002001d410081361914310614daa1f,0,17,19,1,0,1,34,37,-9.154,-0.495,0,0.0,0.184303135,+,1.3126,-,1.3126,https://www.genome.jp/dbget-bin/www_bget?dr:D00435
3528,D07782, Delavirdine (INN), Non-nucleoside reverse transcriptase inhibitors,J05AG02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(N2CCN(CC2)C(=O)c2cc3c([nH]2)ccc(c3)NS(=O)(=O)C)c(cccn1)NC(C)C,456.561,3.9468,134.452,118.81,36,3,8,WHBIGIKBNXZKFE-UHFFFAOYSA-N,C22H28N6O3S,CC(Nc1cccnc1N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)NS(=O)(=O)C)C,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",-8.6945,-8.5112,-8.4999,-4.8801,-4.8697,-4.7396,2.7262,2.7389,2.7906,3.1553,3.6055,D07782_J05AG02,e042010000120480010846001c8140088c00008080040000000010c0820010001e00608220288020088e062e000010400440a000000020080e400002000004000401160241040e8001205000028c00000080004004202900c00a01200000000009302002000000000000100820000400200e31142341000000a8800002400000,0400000000b021,010040800000000000008000120000010001000000009400000024000000000000004640402800,000000802100443a1557b4fc3ae3b08bd7b37feb1f,0,16,44,3,0,7,60,63,-8.395,-1.2590000000000001,0,-1.0,0.522438765,+,1.9879,-,1.9879,https://www.genome.jp/dbget-bin/www_bget?dr:D07782
3529,D00895, Delavirdine mesylate (USAN), Non-nucleoside reverse transcriptase inhibitors,J05AG02,ANTIINFECTIVES FOR SYSTEMIC USE,c1(N2CCN(CC2)C(=O)c2cc3c([nH]2)ccc(c3)NS(=O)(=O)C)c(cccn1)NC(C)C,456.561,3.9468,134.452,118.81,36,3,8,WHBIGIKBNXZKFE-UHFFFAOYSA-N,C22H28N6O3S,CC(Nc1cccnc1N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)NS(=O)(=O)C)C,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",-8.728,-8.5644,-8.4911,-4.8738,-4.8554,-4.7536,2.7108,2.7744,2.8122,3.1342,3.5822,D00895_J05AG02,e042010000120480010846001c8140088c00008080040000000010c0820010001e00608220288020088e062e000010400440a000000020080e400002000004000401160241040e8001205000028c00000080004004202900c00a01200000000009302002000000000000100820000400200e31142341000000a8800002400000,0400000000b021,010040800000000000008000120000010001000000009400000024000000000000004640402800,000000802100443a1557b4fc3ae3b08bd7b37feb1f,0,16,44,3,0,7,60,63,-8.395,-1.258,0,2.0,0.5222994089999999,+,1.9879,-,1.9879,https://www.genome.jp/dbget-bin/www_bget?dr:D00895
3530,D00896, Efavirenz (JAN/INN), Non-nucleoside reverse transcriptase inhibitors,J05AG03,ANTIINFECTIVES FOR SYSTEMIC USE,[C@]1(c2c(NC(=O)O1)ccc(c2)Cl)(C#CC1CC1)C(F)(F)F,315.675,4.2111,73.1827,38.33,12,1,3,XPOQHMRABVBWPR-ZDUSSCGKSA-N,C14H9ClF3NO2,FC(C1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",-5.2275,-4.5055,-3.6839,-3.6788,-3.6788,-3.5745,1.5675,1.9914,2.0715,2.8714,3.5796,D00896_J05AG03,00060222840800400300068100828000881000901400080002214080002000001001f00002a00020300d000808020060010840009008040a0004c002808416000820394240000280010031010480020e08980042a404280844080840040300000002000001002004206000000020400000120100000110000800409402820001,0000000030b001,260100000000000000000000000000000040000100040000000000000000000000004600602804,00006100000200010200400053a7904560c1c57a1f,3,6,24,1,1,1,30,32,-9.802999999999999,-0.624,1,,0.817087948,-,1.1145,-,1.1145,https://www.genome.jp/dbget-bin/www_bget?dr:D00896
3531,D04112, Etravirine (JAN/USAN/INN), Non-nucleoside reverse transcriptase inhibitors,J05AG04,ANTIINFECTIVES FOR SYSTEMIC USE,O(c1nc(nc(c1Br)N)Nc1ccc(cc1)C#N)c1c(cc(cc1C)C#N)C,435.277,5.37156,109.55799999999999,120.64,22,2,6,PYGWGZALEOIKDF-UHFFFAOYSA-N,C20H15BrN6O,N#Cc1ccc(cc1)Nc1nc(N)c(c(n1)Oc1c(C)cc(cc1C)C#N)Br,"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)",-5.1082,-5.0863,-4.8228,-4.7964,-4.4432,-3.8103,1.9652,2.0923,2.2652,2.287,2.3636,D04112_J05AG04,c000280808540240000c460028830000c000211000000200000000800040000000205000400c80200008000c00024a410060a6100020e00808400092000046000c201c00410080810180000806010000409000410400200050088080040100800808000000a4040a0040800029100082000609080a0100203888008002c40002,0000000090b031,010004080000000000000000000004011000000000109000000000000000000000000680403800,0000000120211000019048080326916174e1f1b81f,0,18,25,0,2,4,43,45,-9.265,-0.763,0,2.0,0.9029813409999999,+,1.0362,-,1.0362,https://www.genome.jp/dbget-bin/www_bget?dr:D04112
3532,D09720, Rilpivirine (USAN/INN), Non-nucleoside reverse transcriptase inhibitors,J05AG05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(c(c1)C)Nc1nc(ncc1)Nc1ccc(cc1)C#N)C)/C=C/C#N,366.41900000000004,5.13506,110.413,97.42,24,2,4,YIBOMRUWOWDFLG-ONEGZZNKSA-N,C22H18N6,N#CC=Cc1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",-4.7967,-4.6787,-4.5085,-3.4246,-3.3939,-3.3468,1.8278,2.1055,2.2109,2.2396,2.2835,D09720_J05AG05,c020000000000044000c660008c04800c010014000214002000000800000000000004000404c80210000040c000008400000a0100a00c00800400012000444000c000c0042000200008000000000000400900241040030004008800000210000c00c000090a00080004000002900000220060908000100000008000002020000,0000000000b031,1100000000000000000000000000000110000000000090000000000000000000000006c0437800,0000000120011000019000000602800154a171a817,0,18,27,1,2,5,46,48,-9.085,-0.9640000000000001,0,1.0,0.929816425,-,1.12,-,1.12,https://www.genome.jp/dbget-bin/www_bget?dr:D09720
3533,D09958, Rilpivirine hydrochloride (JAN/USAN), Non-nucleoside reverse transcriptase inhibitors,J05AG05,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(c(c1)C)Nc1nc(ncc1)Nc1ccc(cc1)C#N)C)/C=C/C#N,366.41900000000004,5.13506,110.413,97.42,24,2,4,YIBOMRUWOWDFLG-ONEGZZNKSA-N,C22H18N6,N#CC=Cc1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",-4.7961,-4.7166,-4.4665,-3.4219,-3.3992,-3.3466,1.8232,2.0878,2.2312,2.2465,2.3151,D09958_J05AG05,c020000000000044000c660008c04800c010014000214002000000800000000000004000404c80210000040c000008400000a0100a00c00800400012000444000c000c0042000200008000000000000400900241040030004008800000210000c00c000090a00080004000002900000220060908000100000008000002020000,0000000000b031,1100000000000000000000000000000110000000000090000000000000000000000006c0437800,0000000120011000019000000602800154a171a817,0,18,27,1,2,5,46,48,-9.08,-0.972,0,1.0,,-,1.12,-,1.12,https://www.genome.jp/dbget-bin/www_bget?dr:D09958
3534,D00902, Zanamivir (USAN/INN), Neuraminidase inhibitors,J05AH01,ANTIINFECTIVES FOR SYSTEMIC USE,C1=C(O[C@H]([C@@H]([C@H]1NC(=[NH2])N)NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,333.31800000000004,-1.7798,76.6164,200.39,31,8,10,BIDZSTRGKDPWNT-UFGQHTETSA-N,C12H21N4O7,OCC(C(C1OC(=CC(C1NC(=O)C)NC(=[NH2])N)C(=O)O)O)O,"InChI=1S/C12H21N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,16-17,19-20H,3,13-14H2,1H3,(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+/m0/s1",-12.5133,-12.4629,-10.9155,-6.199,-6.1889,-6.1848,3.7792,3.7837,3.8363,5.0251,5.0779,D00902_J05AH01,004a000000000eac0104040050c20008210100900040c040008c0088031402001c00100a80800017b02f157020000000012200001060c151400500801408213008901b39081400020020890102b0028000c0014000002080ca00100100060001082c80388001080000022000c1003c00010d01840101100000f2048900000000,0400003c30a003,0138c00000010000000288000a0000000041000000000000000000000000000000000440407804,000000010004300180780a4b873250049c2de2ff1d,0,0,40,4,0,8,44,44,-7.7829999999999995,-2.998,5,,1.5415600000000002e-06,-,1.2156,-,1.2156,https://www.genome.jp/dbget-bin/www_bget?dr:D00902
3535,D01937, Zanamivir hydrate (JAN), Neuraminidase inhibitors,J05AH01,ANTIINFECTIVES FOR SYSTEMIC USE,C1=C(O[C@H]([C@@H]([C@H]1NC(=[NH2])N)NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,333.31800000000004,-1.7798,76.6164,200.39,31,8,10,BIDZSTRGKDPWNT-UFGQHTETSA-N,C12H21N4O7,OCC(C(C1OC(=CC(C1NC(=O)C)NC(=[NH2])N)C(=O)O)O)O,"InChI=1S/C12H21N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,16-17,19-20H,3,13-14H2,1H3,(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+/m0/s1",-12.5043,-12.4665,-10.9374,-6.1981,-6.1937,-6.1812,3.7812,3.7909,3.9081,5.0131,5.1118,D01937_J05AH01,004a000000000eac0104040050c20008210100900040c040008c0088031402001c00100a80800017b02f157020000000012200001060c151400500801408213008901b39081400020020890102b0028000c0014000002080ca00100100060001082c80388001080000022000c1003c00010d01840101100000f2048900000000,0400003c30a003,0138c00000010000000288000a0000000041000000000000000000000000000000000440407804,000000010004300180780a4b873250049c2de2ff1d,0,0,40,4,0,8,44,44,-7.787000000000001,-3.0010000000000003,5,1.0,1.5456100000000001e-06,-,1.2156,-,1.2156,https://www.genome.jp/dbget-bin/www_bget?dr:D01937
3536,D08306, Oseltamivir (INN), Neuraminidase inhibitors,J05AH02,ANTIINFECTIVES FOR SYSTEMIC USE,C1[C@@H]([C@H]([C@@H](C=C1C(=O)OCC)OC(CC)CC)NC(=O)C)[NH3+],313.41200000000003,0.9595,85.7748,92.27,34,2,5,VSZGPKBBMSAYNT-RRFJBIMHSA-O,C16H29N2O4+,CCOC(=O)C1=CC(C(C(C1)[NH3+])NC(=O)C)OC(CC)CC,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/p+1/t13-,14+,15+/m0/s1",-5.3913,-5.3821,-5.2849,-4.7834,-4.3399,-4.1387,1.7353,1.7549,1.7661,2.641,2.7518,D08306_J05AH02,1002000000000204010404000002000c010000900042c00000140000001400101800100200800013800e043020000000010200001020c160600000000040a2100810080008140000000088011a800204019001410000204088001000000000110204003880010802000800008000180000070180000010000070000940000700,0500000030e005,1380c00004000000000090000a0000000001000000000000000000000000000000000040c07a04,00000000000023000048004a85701ae49c78f2ff1d,0,0,48,3,0,9,51,51,-13.815,-3.8810000000000002,3,0.0,0.00033506300000000003,+,0.8875,-,0.8875,https://www.genome.jp/dbget-bin/www_bget?dr:D08306
3537,D00900, Oseltamivir phosphate (JAN/USAN), Neuraminidase inhibitors,J05AH02,ANTIINFECTIVES FOR SYSTEMIC USE,C1[C@@H]([C@H]([C@@H](C=C1C(=O)OCC)OC(CC)CC)NC(=O)C)[NH3+],313.41200000000003,0.9595,85.7748,92.27,34,2,5,VSZGPKBBMSAYNT-RRFJBIMHSA-O,C16H29N2O4+,CCOC(=O)C1=CC(C(C(C1)[NH3+])NC(=O)C)OC(CC)CC,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/p+1/t13-,14+,15+/m0/s1",-5.3771,-5.375,-5.3027,-4.7781,-4.3517,-4.113,1.7451,1.7488,1.7677,2.4414,2.6476,D00900_J05AH02,1002000000000204010404000002000c010000900042c00000140000001400101800100200800013800e043020000000010200001020c160600000000040a2100810080008140000000088011a800204019001410000204088001000000000110204003880010802000800008000180000070180000010000070000940000700,0500000030e005,1380c00004000000000090000a0000000001000000000000000000000000000000000040c07a04,00000000000023000048004a85701ae49c78f2ff1d,0,0,48,3,0,9,51,51,-13.879000000000001,-3.883,3,,0.000247645,+,0.8875,-,0.8875,https://www.genome.jp/dbget-bin/www_bget?dr:D00900
3538,D02498, Lopinavir mixture with ritonavir," Antivirals for treatment of HIV infections, combinations",J05AR10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@H](Cc1ccccc1)(C[C@@H]([C@H](Cc1ccccc1)NC(=O)OCc1cncs1)O)NC(=O)[C@@H](NC(=O)N(Cc1nc(sc1)C(C)C)C)C(C)C,720.944,7.0779,197.824,202.26,59,4,13,NCDNCNXCDXHOMX-XGKFQTDJSA-N,C37H48N6O5S2,O=C(NC(C(CC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",-5.9405,-5.4299,-5.2435,-4.6301,-4.487,-4.3369,2.3009,2.5171,2.6264,2.6413,2.6910000000000003,D02498_J05AR10,012609a0004002a0031006040612080c04102290010020000288008c011005021c005193c9001023d01e3d780029008041ca00815028c100a004080210c002002c001e00002002000120210052b0000400b003f0008a3108c0084a00800b60100ff001208420000002801200c2000800100e01340a091010007040010a000301,0400002c30b041,0728000000000000000080000a000000004004010000d000000000000000000000000600403804,00004000184030000152b5de897294278d3fdbff1f,0,22,76,3,0,22,98,101,-9.538,-0.491,4,3.0,0.9664243459999999,+,5.5073,-,5.5073,https://www.genome.jp/dbget-bin/www_bget?dr:D02498
3539,D07250, Moroxydine (INN), Other antivirals,J05AX01,ANTIINFECTIVES FOR SYSTEMIC USE,C1OCCN(C1)C(=[NH2])NC(=[NH2])N,173.21599999999998,0.3934,51.3539,102.56,21,4,4,UBRMXEBZMXVEAO-UHFFFAOYSA-N,C6H15N5O,[NH2]=C(N1CCOCC1)NC(=[NH2])N,"InChI=1S/C6H15N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h10H,1-4,7-9H2",-12.4931,-12.4652,-12.3111,-11.9102,-11.7016,-9.067,4.8185,5.4332,5.4835,5.5426,5.8815,D07250_J05AX01,00020000010000000000040010020000000000200000004000000000000400000000000000000012000003000001000000000000000000000000000000000030080138000810000000000000020200000280004000002002220000000000000000200000040000000000000080000000000c2080020000000000000010000000,0000000030a001,0080c0000000000000000000000000000040000000000000000000000000000000000400402800,000000010004100100b438460a52e0830d234c391d,0,0,25,2,0,3,27,27,-17.226,-9.985,0,0.0,1.3713e-10,-,0.5456,-,0.5456,https://www.genome.jp/dbget-bin/www_bget?dr:D07250
3540,D05528, Pleconaril (USAN/INN), Other antivirals,J05AX06,ANTIINFECTIVES FOR SYSTEMIC USE,c1(cc(c(c(c1)C)OCCCc1onc(c1)C)C)c1noc(n1)C(F)(F)F,381.349,4.6802,90.288,74.18,22,0,6,KQOXLKOJHVFTRN-UHFFFAOYSA-N,C18H18F3N3O3,Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1noc(n1)C(F)(F)F,"InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3",-4.3217,-4.3211,-4.3171,-3.8227,-2.7343,-2.03,0.8793,0.9117,0.945,1.4631,2.2348,D05528_J05AX06,28020060000a000022002200040300010110409c20000200000200c000200000b004480040028431000000880c30a004010012000000400080a40022001202000e200c0041000211c0100000220080088088014000e010087008080060091200400008600808040300001012011002000003012609011a200800000080000004,00000000503001,03010200000000000000000000000000000000000000b000000000000000000000000600603000,0000000020020021415004e821beb1692af1b6dd1f,3,16,31,0,0,7,45,47,-9.586,-1.126,0,0.0,0.811352372,+,1.3799,-,1.3799,https://www.genome.jp/dbget-bin/www_bget?dr:D05528
3541,D06676, Raltegravir (USAN/INN), Other antivirals,J05AX08,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(=O)NC(c2[nH]c(C(=O)NCc3ccc(cc3)F)c(c(=O)n2C)O)(C)C)oc(nn1)C,445.42400000000004,1.9075,109.988,155.14,30,4,10,AXUFCVZRGPWBIZ-UHFFFAOYSA-N,C20H22FN6O5,Fc1ccc(cc1)CNC(=O)c1[nH]c(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C,"InChI=1S/C20H22FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,23,28H,9H2,1-4H3,(H,22,29)(H,24,30)",-5.3962,-5.1005,-4.779,-4.5899,-4.3514,-3.9216,2.6222,2.7181,2.7574,2.8117,3.0168,D06676_J05AX08,0023802000400c2411c00600862100080100009040001004000000c011304100180450028300000300a6033800010080010230005000800001050002100000300c240800000418800930000012b8001f00f0024030003108e00913000049200208340422040400001080000080000001000e0106002118000834800110000300,0400002c00b001,0128000080000000030080002a000000000000000008b000000000000000000000000640403804,000000002002380183d656fd0ba4904ba47dfbff1f,1,11,45,3,0,8,57,59,-11.927,-5.995,0,-1.0,0.008048199,+,3.293,-,3.293,https://www.genome.jp/dbget-bin/www_bget?dr:D06676
3542,D07133, Raltegravir potassium (JAN/USAN), Other antivirals,J05AX08,ANTIINFECTIVES FOR SYSTEMIC USE,c1(C(=O)NC(c2[nH]c(C(=O)NCc3ccc(cc3)F)c(c(=O)n2C)O)(C)C)oc(nn1)C,445.42400000000004,1.9075,109.988,155.14,29,4,10,AXUFCVZRGPWBIZ-UHFFFAOYSA-N,C20H22FN6O5,Fc1ccc(cc1)CNC(=O)c1[nH]c(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C,"InChI=1S/C20H22FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,23,28H,9H2,1-4H3,(H,22,29)(H,24,30)",-5.3875,-5.0365,-4.8017,-4.5507,-4.3413,-3.8766,2.6273,2.7892,2.9628,3.1398,3.4929,D07133_J05AX08,0023802000400c2411c00600862100080100009040001004000000c011304100180450028300000300a6033800010080010230005000800001050002100000300c240800000418800930000012b8001f00f0024030003108e00913000049200208340422040400001080000080000001000e0106002118000834800110000300,0400002c00b001,0128000080000000030080002a000000000000000008b000000000000000000000000640403804,000000002002380183d656fd0ba4904ba47dfbff1f,1,11,45,3,0,8,57,59,-8.53,-1.6219999999999999,0,1.0,0.021446711,+,3.264,-,3.264,https://www.genome.jp/dbget-bin/www_bget?dr:D07133
3543,D06670, Maraviroc (JAN/INN), Other antivirals,J05AX09,ANTIINFECTIVES FOR SYSTEMIC USE,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)n1c(nnc1C(C)C)C)CC[C@@H](NC(=O)C1CCC(CC1)(F)F)c1ccccc1,514.673,6.4939,146.80200000000002,64.25,46,2,5,GSNHKUDZZFZSJB-KEVKATSASA-O,C29H42F2N5O+,O=C(C1CCC(CC1)(F)F)NC(c1ccccc1)CC[NH+]1C2CCC1CC(C2)n1c(C)nnc1C(C)C,"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/p+1/t23-,24+,25+,26-/m1/s1",-6.0349,-4.5535,-4.5469,-4.4733,-4.3427,-3.8653,1.5377,1.5424,1.5521,1.5645,2.0138,D06670_J05AX09,00260020800006a01b000602040100000010019024000000000200c000000000180450000000002110a6481800010080010224000020400200000002008010000c200c0000040200000080010e8800040098015200813008e0090c1000092000001200220000800414000000000c080100060100000110400816800100000100,0500000000f001,0701400204000000000080000a0000000000000000009800000000000000000000008600c03a04,000004002002192001d656ae8aedb08b35b17daf1f,2,11,71,1,0,9,79,83,-12.347000000000001,-4.083,3,1.0,0.602106392,+,2.6459,-,2.6459,https://www.genome.jp/dbget-bin/www_bget?dr:D06670
3544,D04859, Maribavir (USAN/INN), Other antivirals,J05AX10,ANTIINFECTIVES FOR SYSTEMIC USE,[C@@H]1([C@H]([C@@H](O[C@@H]1n1c2cc(c(cc2nc1NC(C)C)Cl)Cl)CO)O)O,376.235,1.8479,91.6191,99.77,25,4,7,KJFBVJALEQWJBS-XUXIUFHCSA-N,C15H19Cl2N3O4,OCC1OC(C(C1O)O)n1c(NC(C)C)nc2c1cc(Cl)c(c2)Cl,"InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1",-4.8309,-3.0991,-2.9741,-2.4661,-2.2302,-2.1436,1.5756,1.66,1.9048,2.4114,2.5089,D04859_J05AX10,88024200001018400018460008020001700000100002000202001044106401101000600c010880273001005c200008c00110a0000000e01910400000200020000cc01e00c01028000001c8030c100002008801400c80200df00884a10001000000000000000c400000400000e0003c0000060180000000800000400106800100,0000003c30b021,013800000001000000000000000000000000000000049800000000000000000000004601403804,0000000100003021815656cf513790437cedfafd1f,0,10,35,0,0,4,43,45,-8.847000000000001,-0.504,4,1.0,0.153908983,+,1.1193,-,1.1193,https://www.genome.jp/dbget-bin/www_bget?dr:D04859
3545,D06677, Elvitegravir (JAN/USAN), Other antivirals,J05AX11,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(c(c(cc1)Cc1cc2c(=O)c(C(=O)O)cn(c2cc1OC)[C@H](C(C)C)CO)F)Cl,447.884,4.281000000000001,117.73200000000001,88.76,27,2,6,JUZYLCPPVHEVSV-IBGZPJMESA-N,C23H23ClFNO5,OCC(n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C,"InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m0/s1",-4.8698,-4.7875,-3.1255,-2.3692,-2.0021,-1.9948,1.4486,1.7868,1.8407,2.0737,2.3662,D06677_J05AX11,00062200000004c242800640800340001100045000000008011000e0402004001c00509600408023788b0618000000c0010086000000600004400082000200010c600c004100008100106000068800020088014004000008c40808c000010002080200010000000670c0000003100400100601020841102008d8800442800000,0400001c50b003,0718020000000000000088000000000040030000000c8900000000000000000000004640402804,000000000002000001065251535d0967a4ddbbff1f,1,17,37,2,0,7,54,56,-4.654,1.594,1,0.0,0.025723593,-,1.5029,-,1.5029,https://www.genome.jp/dbget-bin/www_bget?dr:D06677
3546,D10066, Dolutegravir (USAN), Other antivirals,J05AX12,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(cc(c(=O)c1O)C(=O)NCc1ccc(cc1F)F)C[C@H]1N(C2=O)[C@@H](CCO1)C,419.379,1.6816,104.477,100.87,26,2,8,RHWKPHLQXYSBKR-BMIGLBTASA-N,C20H19F2N3O5,Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C,"InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1",-4.7256,-4.1826,-4.1233,-4.1216,-3.8245,-3.7904,2.013,2.0954,2.1465,2.244,2.3485,D10066_J05AX12,004200c000000ce45180064504034408110024906002e008821000c0012415183c01546681208023108e3f38210000c0010216000008e00006410082006222020c711e22801c02000011580806980080008001c004002901d008538001032002013420820040021c548112082a100404900f01d20041106008fcc04482000010,0400000432b001,0300000000000000030080002a000000c003000000098900000000000000000000004640403804,000000000002000181c0524d1b7dbdc3adefefff1f,2,12,37,3,0,4,49,52,-9.109,-0.747,2,1.0,0.397393137,-,2.4657,-,2.4657,https://www.genome.jp/dbget-bin/www_bget?dr:D10066
3547,D10113, Dolutegravir sodium (JAN/USAN), Other antivirals,J05AX12,ANTIINFECTIVES FOR SYSTEMIC USE,c12n(cc(c(=O)c1O)C(=O)NCc1ccc(cc1F)F)C[C@H]1N(C2=O)[C@@H](CCO1)C,419.379,1.6816,104.477,100.87,25,2,8,RHWKPHLQXYSBKR-BMIGLBTASA-N,C20H19F2N3O5,Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C,"InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1",-4.7247,-4.192,-4.1219,-4.1135,-3.8123,-3.795,2.0137,2.0953,2.2305,2.2458,2.3603,D10113_J05AX12,004200c000000ce45180064504034408110024906002e008821000c0012415183c01546681208023108e3f38210000c0010216000008e00006410082006222020c711e22801c02000011580806980080008001c004002901d008538001032002013420820040021c548112082a100404900f01d20041106008fcc04482000010,0400000432b001,0300000000000000030080002a000000c003000000098900000000000000000000004640403804,000000000002000181c0524d1b7dbdc3adefefff1f,2,12,37,3,0,4,49,52,-3.5780000000000003,1.825,2,1.0,0.5622749920000001,-,2.4415,-,2.4415,https://www.genome.jp/dbget-bin/www_bget?dr:D10113
3548,D10065, Daclatasvir (USAN), Other antivirals,J05AX14,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)c1ccc(cc1)c1cnc([nH]1)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)OC)C(C)C)c1cnc([nH]1)[C@H]1N(CCC1)C(=O)[C@H](C(C)C)NC(=O)OC,738.875,6.8796,211.859,174.64,62,4,12,FKRSSPOQAMALKA-CUPIEXAXSA-N,C40H50N8O6,COC(=O)NC(C(=O)N1CCCC1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C,"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1",-6.0079,-5.9766,-5.2807,-5.2508,-3.9104,-3.8937,2.2368,2.2483,2.4029,2.4078,2.6010000000000004,D10065_J05AX14,00220020a04800e00108e60004420108e01000100802000002000880010014001800500201200031100e073800002000010a00501800000422200806008002000c011e8000000200002010088280000e00b8014000802100d00800000003800049200820000040011a80110040000000100e0114000d1000003000010aa00000,0400000030b001,070000000000000000008000120000000040000100009400000000000000000000000600402804,0000400020000020015614de0862b027853b7ffb1f,0,22,83,4,0,17,104,109,-8.595,-0.8590000000000001,4,1.0,0.96942538,-,1618.0671,-,1618.0671,https://www.genome.jp/dbget-bin/www_bget?dr:D10065
3549,D10105, Daclatasvir dihydrochloride (USAN), Other antivirals,J05AX14,ANTIINFECTIVES FOR SYSTEMIC USE,c1c(ccc(c1)c1ccc(cc1)c1cnc([nH]1)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)OC)C(C)C)c1cnc([nH]1)[C@H]1N(CCC1)C(=O)[C@H](C(C)C)NC(=O)OC,738.875,6.8796,211.859,174.64,62,4,12,FKRSSPOQAMALKA-CUPIEXAXSA-N,C40H50N8O6,COC(=O)NC(C(=O)N1CCCC1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)C(C)C,"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1",-6.0627,-5.9822,-5.3091,-5.2467,-3.8844,-3.8563,2.0763,2.1255,2.3444,2.3721,2.6082,D10105_J05AX14,00220020a04800e00108e60004420108e01000100802000002000880010014001800500201200031100e073800002000010a00501800000422200806008002000c011e8000000200002010088280000e00b8014000802100d00800000003800049200820000040011a80110040000000100e0114000d1000003000010aa00000,0400000030b001,070000000000000000008000120000000040000100009400000000000000000000000600402804,0000400020000020015614de0862b027853b7ffb1f,0,22,83,4,0,17,104,109,-8.583,-0.867,4,0.0,0.9617118840000001,-,1618.0671,-,1618.0671,https://www.genome.jp/dbget-bin/www_bget?dr:D10105
3550,D07760, Cyclophosphamide (INN), Nitrogen mustard analogues,L01AA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[P@@]1(=O)(N(CCCl)CCCl)NCCCO1,261.086,2.2128,62.6022,51.38,19,1,4,CMSMOCZEIVJLDB-CQSZACIVSA-N,C7H15Cl2N2O2P,ClCCN(P1(=O)NCCCO1)CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1",-11.8753,-10.6206,-10.1754,-7.4053,-4.5825,-2.3959,2.4356,2.7927,3.031,3.4616,3.5498,D07760_L01AA01,0092020040000100080004008500000000800180000200020020000800000000100000000000000118092012000000200000000000008300000122403000022008022a00002000002000020002000000000004400000200004000100000000012000000002440000004000000000000040044000000000100000000000800400,0000000000a001,820000000000000000000000000000000000000000000000000000000000300000000400402804,000000100000000110102226ebd2b0cb3b634c7d1d,0,0,28,1,0,5,29,29,-10.133,-0.043,1,-2.0,0.048645920999999995,-,0.302,-,0.302,https://www.genome.jp/dbget-bin/www_bget?dr:D07760
3551,D00287, Cyclophosphamide (USP), Nitrogen mustard analogues,L01AA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[P@@]1(=O)(N(CCCl)CCCl)NCCCO1,261.086,2.2128,62.6022,51.38,19,1,4,CMSMOCZEIVJLDB-CQSZACIVSA-N,C7H15Cl2N2O2P,ClCCN(P1(=O)NCCCO1)CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1",-11.8541,-10.5904,-10.1784,-7.4141,-4.5761,-2.3946,2.4397,2.7872,3.0342,3.4685,3.5797,D00287_L01AA01,0092020040000100080004008500000000800180000200020020000800000000100000000000000118092012000000200000000000008300000122403000022008022a00002000002000020002000000000004400000200004000100000000012000000002440000004000000000000040044000000000100000000000800400,0000000000a001,820000000000000000000000000000000000000000000000000000000000300000000400402804,000000100000000110102226ebd2b0cb3b634c7d1d,0,0,28,1,0,5,29,29,-10.132,-0.045,1,1.0,0.048633333,-,0.302,-,0.302,https://www.genome.jp/dbget-bin/www_bget?dr:D00287
3552,D00266, Chlorambucil (JAN/USP/INN), Nitrogen mustard analogues,L01AA02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(N(CCCl)CCCl)ccc(cc1)CCCC(=O)O,304.212,3.3779,81.0138,40.54,21,1,3,JCKYGMPEJWAADB-UHFFFAOYSA-N,C14H19Cl2NO2,ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",-4.5704,-4.5135,-2.986,-2.9795,-1.3951,-1.3487,0.8865,1.0032,1.0052,1.0063,2.3963,D00266_L01AA02,00064200000000000200060000800000800000000000000000000088000000001000400000000021000b0008000110400100000000004008000100020000042008000800400000000080200002900004009000400400300840080800000800000000000000000000000000000000080000060140022100000008000102c00500,0400000c00b023,820040000100000000008800000000000000000000000000000000000000000000000200402800,000000000000000000003006c840208679060c7f1f,0,6,31,1,0,9,38,38,-4.321000000000001,2.345,0,4.0,0.000399131,-,0.3522,-,0.3522,https://www.genome.jp/dbget-bin/www_bget?dr:D00266
3553,D00369, Melphalan (JP17/USP/INN), Nitrogen mustard analogues,L01AA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(N(CCCl)CCCl)ccc(cc1)C[C@@H](C(=O)O)[NH3+],306.20799999999997,1.2082,80.1719,68.18,21,2,3,SGDBTWWWUNNDEQ-LBPRGKRZSA-O,C13H19Cl2N2O2+,ClCCN(c1ccc(cc1)CC(C(=O)O)[NH3+])CCCl,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/p+1/t12-/m0/s1",-5.4088,-5.3908,-5.3616,-4.6367,-4.5072,-4.2519,1.8665,2.1264,2.3503,2.3617,2.6069999999999998,D00369_L01AA03,00060200000000000200060000800004800000000000000000000088000800001000408140000023000b001800011040010000000800400800010002000004200800080040000000008000000290000400b000400400300840080800000800000000000000000000000000000000000000060140002100000008000002c00400,0500000c00f023,8200c0000500000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000003042c840208675264c7f1f,0,6,31,1,0,8,38,38,-8.937999999999999,-0.5379999999999999,1,0.0,0.000317792,-,0.5389,-,0.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D00369
3554,D08173, Melphalan hydrochloride, Nitrogen mustard analogues,L01AA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(N(CCCl)CCCl)ccc(cc1)C[C@@H](C(=O)O)[NH3+],306.20799999999997,1.2082,80.1719,68.18,21,2,3,SGDBTWWWUNNDEQ-LBPRGKRZSA-O,C13H19Cl2N2O2+,ClCCN(c1ccc(cc1)CC(C(=O)O)[NH3+])CCCl,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/p+1/t12-/m0/s1",-5.3863,-5.3597,-5.3341,-4.5634,-4.5577,-4.5248,1.7605,2.2099,2.3141,2.3897,2.5621,D08173_L01AA03,00060200000000000200060000800004800000000000000000000088000800001000408140000023000b001800011040010000000800400800010002000004200800080040000000008000000290000400b000400400300840080800000800000000000000000000000000000000000000060140002100000008000002c00400,0500000c00f023,8200c0000500000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000003042c840208675264c7f1f,0,6,31,1,0,8,38,38,-8.941,-0.527,1,-2.0,0.000318502,-,0.5389,-,0.5389,https://www.genome.jp/dbget-bin/www_bget?dr:D08173
3555,D07671, Chlormethine (INN), Nitrogen mustard analogues,L01AA05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[NH+](CCCl)(CCCl)C,157.061,-0.0213,39.8947,4.44,12,1,0,HAWPXGHAZFHHAD-UHFFFAOYSA-O,C5H12Cl2N+,ClCC[NH+](CCCl)C,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3/p+1",-5.9956,-4.5995,-4.5448,-4.5363,-1.5675,-1.5626,1.4276,1.433,1.4631,1.5657,1.5716,D07671_L01AA05,0002020000000000000004000000000000000000000000000000000800000000000000000000000000010000000000000000000000000000000100000000002000000000000000000000000002000000000000400000200000000000000000000000000000000000000000000000000000040000000000000000000000800400,0100000000e000,800040020400000000000000000000000000000000000000000000000000000000000000c02200,000000000000010000003210c8402c8221024ca501,0,0,19,0,0,4,20,19,-15.209000000000001,-4.752,0,0.0,,+,0.3742,-,0.3742,https://www.genome.jp/dbget-bin/www_bget?dr:D07671
3556,D04872, Mechlorethamine hydrochloride (USP), Nitrogen mustard analogues,L01AA05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[NH+](CCCl)(CCCl)C,157.061,-0.0213,39.8947,4.44,12,1,0,HAWPXGHAZFHHAD-UHFFFAOYSA-O,C5H12Cl2N+,ClCC[NH+](CCCl)C,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3/p+1",-5.9715,-4.6038,-4.5446,-4.5322,-1.5669,-1.5581,1.4282,1.433,1.4609999999999999,1.5639,1.5657,D04872_L01AA05,0002020000000000000004000000000000000000000000000000000800000000000000000000000000010000000000000000000000000000000100000000002000000000000000000000000002000000000000400000200000000000000000000000000000000000000000000000000000040000000000000000000000800400,0100000000e000,800040020400000000000000000000000000000000000000000000000000000000000000c02200,000000000000010000003210c8402c8221024ca501,0,0,19,0,0,4,20,19,-15.209000000000001,-4.752,0,,,+,0.3742,-,0.3742,https://www.genome.jp/dbget-bin/www_bget?dr:D04872
3557,D00343, Ifosfamide (JAN/USP/INN), Nitrogen mustard analogues,L01AA06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[P@@]1(=O)(NCCCl)N(CCCO1)CCCl,261.086,2.2128,62.6022,51.38,19,1,4,HOMGKSMUEGBAAB-AWEZNQCLSA-N,C7H15Cl2N2O2P,ClCCNP1(=O)OCCCN1CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)/t14-/m0/s1",-11.8837,-10.6815,-10.1031,-7.4458,-4.6003,-2.3855,2.4983,2.7582,3.0574,3.4368,3.503,D00343_L01AA06,0092020040000100080004008500000000800180000200020020000801000000100000008000000118092012000000200002000000008300000122403000022008022a00002000002000020002000000000004400000200004000100000000012000000002440000004000000000000040044000000010100000000010000400,0000000000a001,820000000000000000000000000000000000000000000000000000000000300000000400402804,000000100000000110142226ebd2b0cb3b636c7d1d,0,0,28,1,0,5,29,29,-10.253,0.084,1,,0.044908047,-,0.3798,-,0.3798,https://www.genome.jp/dbget-bin/www_bget?dr:D00343
3558,D07252, Trofosfamide (INN), Nitrogen mustard analogues,L01AA07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N1(CCCO[P@@]1(=O)N(CCCl)CCCl)CCCl,323.584,2.7731,77.1065,42.59,22,0,4,UMKFEPPTGMDVMI-QGZVFWFLSA-N,C9H18Cl3N2O2P,ClCCN(P1(=O)OCCCN1CCCl)CCCl,"InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2/t17-/m1/s1",-10.8319,-10.695,-9.8779,-7.5068,-2.1314,-2.1272,2.3272,2.4596,2.5417,3.0315,3.0554,D07252_L01AA07,0092020040000100080004008500000000800180000200020020000801000000100000008000000118092012000000200002000000008300000122403000022008022a00002000002000020002000000000004400000200004000100000000012000000002440000004000000000000040044000000010100000000010800400,00000000002001,820000000000000000000000000000000000000000000000000000000000300000000400402004,0000001000000001001420206bd2b0cb3b632c7d1d,0,0,34,1,0,7,35,35,-10.088,-0.228,1,0.0,0.26876533,-,0.4481,-,0.4481,https://www.genome.jp/dbget-bin/www_bget?dr:D07252
3559,D05602, Prednimustine (USAN/INN), Nitrogen mustard analogues,L01AA08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)C=C4)CC3)C)[C@H](C[C@@]1([C@](CC2)(C(=O)COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl)O)C)O,646.641,5.4154,174.312,104.14,52,2,7,HFVNWDWLWUCIHC-GUPDPFMOSA-N,C35H45Cl2NO6,ClCCN(c1ccc(cc1)CCCC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)CCCl,"InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1",-4.4915,-3.6373,-3.0054,-2.983,-2.9768,-2.9518,1.3623,1.4146,1.4319,1.5343,1.5789,D05602_L01AA08,00064202000002240a00060100820000800000800040400000000088000420001408400000800021800b000821011040012002000020410b000100820000862008100808400400000080a0002a90020400d000400400300840081801000800010204000280000000000000004000280000070940022100000008008142c00500,1400006c30b025,9f6840000100010000009000000000000001000000000000000000000000000000004240437805,000000020000020082083087dcd92ce6fd4ebfff1f,0,6,82,5,0,13,89,93,-9.18,-0.336,7,1.0,0.9830960040000001,-,4.0312,-,4.0312,https://www.genome.jp/dbget-bin/www_bget?dr:D05602
3560,D07501, Bendamustine (INN), Nitrogen mustard analogues,L01AA09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(N(CCCl)CCCl)cc2c(cc1)n(c(n2)CCCC(=O)O)C,358.26300000000003,3.2646,95.5668,58.36,24,1,5,YTKUWDBFDASYHO-UHFFFAOYSA-N,C16H21Cl2N3O2,ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl,"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)",-4.5579,-4.4434,-3.0207,-3.0184,-1.412,-1.4119,0.9474,1.0081,1.0083,1.3766,2.3665,D07501_L01AA09,c00a8220000000400008c60004800000800000008000000000000048000000001004000001008021300b0418000010c0050000000800600808010004000004200c000c02c00002000000400002900004009081400c802001c01800000001001000010000008000010040000060000c000006081000340000000080010ac00500,0400000c00b023,820040000100000000008800000000000000000000009800000000000000000000004600403800,000000002000000001d43496d849a88779a72cff1f,0,10,34,1,0,9,44,45,-4.364,1.8840000000000001,0,0.0,0.00037256400000000003,-,0.5973,-,0.5973,https://www.genome.jp/dbget-bin/www_bget?dr:D07501
3561,D07085, Bendamustine hydrochloride (JAN/USAN), Nitrogen mustard analogues,L01AA09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(N(CCCl)CCCl)cc2c(cc1)n(c(n2)CCCC(=O)O)C,358.26300000000003,3.2646,95.5668,58.36,24,1,5,YTKUWDBFDASYHO-UHFFFAOYSA-N,C16H21Cl2N3O2,ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl,"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)",-4.5195,-4.5177,-3.0019,-2.9875,-1.3619999999999999,-1.3604,1.0019,1.0493,1.2121,1.395,2.3652,D07085_L01AA09,c00a8220000000400008c60004800000800000008000000000000048000000001004000001008021300b0418000010c0050000000800600808010004000004200c000c02c00002000000400002900004009081400c802001c01800000001001000010000008000010040000060000c000006081000340000000080010ac00500,0400000c00b023,820040000100000000008800000000000000000000009800000000000000000000004600403800,000000002000000001d43496d849a88779a72cff1f,0,10,34,1,0,9,44,45,-4.364,1.886,0,0.0,0.000372612,-,0.5973,-,0.5973,https://www.genome.jp/dbget-bin/www_bget?dr:D07085
3562,D00248, Busulfan (JP17/USP/INN), Alkyl sulfonates,L01AB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,S(=O)(=O)(OCCCCOS(=O)(=O)C)C,246.30200000000002,1.8806,51.053999999999995,103.5,20,0,6,COVZYZSDYWQREU-UHFFFAOYSA-N,C6H14O6S2,CS(=O)(=O)OCCCCOS(=O)(=O)C,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",-8.9353,-8.9231,-8.9127,-8.8703,-5.6598,-5.6265,1.7387,2.1228,2.1389,2.4021,2.403,D00248_L01AB01,200001000000000000000000008000000000000000000000010000000100000110000000a00000010000000000000000010000000000c000000000000000000008000800020008800200000000000000000000400020040000000000000001000002000000000080000000000000208000005000000000000000000000000000,00000000002000,020000000000000000000000000000000000000000000000000028000000000000000000402801,00000000c080441a04018010209a28288b0a1ed508,0,0,23,4,0,7,28,27,-12.158,-1.3090000000000002,0,,,-,1.4462,-,1.4462,https://www.genome.jp/dbget-bin/www_bget?dr:D00248
3563,D07253, Treosulfan (INN), Alkyl sulfonates,L01AB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,O(C[C@@H]([C@H](COS(=O)(=O)C)O)O)S(=O)(=O)C,278.301,-0.1778,53.3776,143.96,22,2,8,YCPOZVAOBBQLRI-WDSKDSINSA-N,C6H14O8S2,OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C,"InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1",-8.9341,-8.9286,-8.9001,-8.8974,-5.6685,-5.6422,2.1319,2.1341,2.4027,2.4046,2.4503,D07253_L01AB02,200001000000000000000080008002000000000000000000010000000500000510000000a00000050000000000000008010000000000c001000000000000000008000800020008800200000000000000000000400020040000000000000001000002000000000080000000000000208000005000000000000000000000000000,0000002c00a000,002800000001000000000000000000000000000000000000000028000000000000000000402805,00000000c080641a84018013a09208288f0e9ad508,0,0,25,4,0,7,30,29,-11.902000000000001,-1.501,2,0.0,,-,1.5017,-,1.5017,https://www.genome.jp/dbget-bin/www_bget?dr:D07253
3564,D07071, Mannosulfan (INN), Alkyl sulfonates,L01AB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,S(=O)(=O)(OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)OS(=O)(=O)C)O)O)OS(=O)(=O)C)C,494.533,0.6734,92.7036,247.46,36,2,14,UUVIQYKKKBJYJT-ZYUZMQFOSA-N,C10H22O14S4,OC(C(C(OS(=O)(=O)C)COS(=O)(=O)C)O)C(OS(=O)(=O)C)COS(=O)(=O)C,"InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1",-8.9517,-8.9507,-8.9322,-8.9203,-8.898,-8.8923,3.2749,3.3413,3.6688,4.4337,5.0138,D07071_L01AB03,200001000000000000000080008002000000000000000040010000000500000510000000a00000050000000000000008010000000020c001000000000000000008000800020008800200800200000000000000400020040008000000000001000002000000000280000000000000288000005000000000000000000900000000,0000002c00a000,002800000001000000000000000000000000000000000000000028000000000000000000402805,00000000c080641a84018017209a08288e1e9ad508,0,0,41,8,0,13,50,49,-12.12,-1.871,4,0.0,,+,5.1546,-,5.1546,https://www.genome.jp/dbget-bin/www_bget?dr:D07071
3565,D00583, Thiotepa (JAN/USP/INN), Ethylene imines,L01AC01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,P(=S)(N1CC1)(N1CC1)N1CC1,189.218,0.622,60.615,50.93,16,0,4,FOCVUCIESVLUNU-UHFFFAOYSA-N,C6H12N3PS,S=P(N1CC1)(N1CC1)N1CC1,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",-7.1664,-7.0963,-6.9958,-6.9958,-0.3894,-0.3891,1.3791,1.766,1.9729,1.9744,2.1036,D00583_L01AC01,0090010000000100000004000400000000000000000000000040000002000000000000000000000000000000000000200000000000000000000020403000000000000000000000000000000000000000000000400000200004000100000000000000000000400000000000000000000000040000000000000000000000000000,00000000002001,000000000000000000000000000000000000000000000000000000000000200000000400402000,00802010004000000415a1200882a08b02230c2911,0,0,24,1,0,3,23,25,-8.443999999999999,-1.181,0,1.0,0.029831427999999997,+,4.6605,-,4.6605,https://www.genome.jp/dbget-bin/www_bget?dr:D00583
3566,D07254, Triaziquone (INN), Ethylene imines,L01AC02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(=C(C(=O)C=C(C1=O)N1CC1)N1CC1)N1CC1,231.25099999999998,-1.0058,71.227,43.17,18,0,5,PXSOHRWMIRDKMP-UHFFFAOYSA-N,C12H13N3O2,O=C1C(=C(N2CC2)C(=O)C=C1N1CC1)N1CC1,"InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2",-3.5759,-3.5498,-1.4211,-1.4054,-1.3792,-1.1883,0.8409,0.9894,1.2501,1.2512,1.3,D07254_L01AC02,0002004000400004101404000200100000010c00000040000000000002008005100800000080000080020010010000000002000000002300408000200000010000000000000000000000000002800002002000410000200028011000000400010204000220010800040020000000040000040800020010000104000800004000,1400000000a001,000040020000010000080000000000004002000000000000000000000000000000000440406800,008020000010002000cc30400d00a0439063ac6b1d,0,0,29,4,0,3,30,33,-8.852,-1.5859999999999999,0,2.0,0.017145076999999998,+,2.7473,-,2.7473,https://www.genome.jp/dbget-bin/www_bget?dr:D07254
3567,D01270, Carboquone (JAN/INN), Ethylene imines,L01AC03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(=C(C(=O)C(=C(C1=O)N1CC1)[C@H](COC(=O)N)OC)N1CC1)C,321.328,-0.0161,86.4174,101.71,27,1,8,SHHKQEUPHAENFK-VIFPVBQESA-N,C15H19N3O5,COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)/t9-/m0/s1",-6.6385,-5.2909,-4.2324,-4.2282,-3.6215,-3.6158,1.5387,1.5393,2.0217,2.0501,2.2381,D01270_L01AC03,100a00400040000402140400000210004001049000624000020400000230a0841008100840a00005800e00900100000001a202001000630040010000000083000800180004040000000100010280021e10b00141000620428800100000240001020400aaa00308000408200000001c00800f0980080d10000100408902004400,1400800030a001,018040020000010000080000000000004043000100000000000000000000000000000440407804,0080600000100220800c38530d3ab867986bfeff1d,0,0,39,5,0,7,42,44,-9.513,-1.7619999999999998,1,0.0,0.052630610999999994,+,2.6484,-,2.6484,https://www.genome.jp/dbget-bin/www_bget?dr:D01270
3568,D00254, Carmustine (JAN/USAN/INN), Nitrosoureas,L01AD01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N(C(=O)NCCCl)(CCCl)N=O,214.05,1.5479,46.7657,61.77,14,1,5,DLGOEMSEDOSKAD-UHFFFAOYSA-N,C5H9Cl2N3O2,ClCCNC(=O)N(CCCl)N=O,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",-5.2501,-4.6292,-3.8571,-2.1683,-1.2465,-1.2319,0.8726,0.971,1.1966,1.2062,1.7695,D00254_L01AD01,000302800000000003008c0000800000000000000000004000000088010000000800000000000040002501000001000000000003400000000003000000000040000000000000000000000000008801000000004000002000400000000000000800200000040000000000000000000000000c000000000000000000000c000400,0000000000a040,800000000000000000000000000000000040000000000000040000000000000000000000402800,000000001000084060500267e962708aa2224c6f09,0,0,18,2,0,7,21,20,-10.575,-1.114,0,,,-,0.4237,-,0.4237,https://www.genome.jp/dbget-bin/www_bget?dr:D00254
3569,D00363, Lomustine (USAN/INN), Nitrosoureas,L01AD02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(NC(=O)N(CCCl)N=O)CCCCC1,233.695,2.6418,59.0837,61.77,21,1,5,GQYIWUVLTXOXAJ-UHFFFAOYSA-N,C9H16ClN3O2,ClCCN(C(=O)NC1CCCCC1)N=O,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",-5.2385,-4.6157,-3.8512,-2.151,-1.2421,-0.966,0.8217,0.8765,1.195,1.2051,1.7893,D00363_L01AD02,000302800000080003008c0000800000000000100000004000000088010001001800100000000040102505100001000001000001402000020003000000000040080000000000000000000000009801000000014000002000c00000000000000800200000040000000000000000000000000c000000001000001000010c000400,0000000000a041,820000000000000000000000000000000040000000000000040000000000000000000000402800,000000001000084060500067e962708ab3224c6f1d,0,0,29,2,0,6,31,31,-10.187000000000001,-1.4609999999999999,0,0.0,0.115949132,-,0.6937,-,0.6937,https://www.genome.jp/dbget-bin/www_bget?dr:D00363
3570,D05822, Semustine (USAN/INN), Nitrosoureas,L01AD03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(NC(=O)N(CCCl)N=O)CC[C@H](CC1)C,247.722,2.8878,63.8907,61.77,23,1,5,FVLVBPDQNARYJU-DTORHVGOSA-N,C10H18ClN3O2,ClCCN(C(=O)NC1CCC(CC1)C)N=O,"InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+",-5.2453,-4.6077,-3.8526,-2.1598,-1.2459,-0.9602,0.8225,0.8634,1.199,1.2068,1.7768,D05822_L01AD03,0003028000000a0003008c0000800000000000100000004000000088010001001800100000000040102505100001000001000001402000020003000000000040080000000000000000000000009801000000014000002000c00000000000000800200000040000000000000000000000000c000000001000001000010c000400,0000000000a041,870000000000000000000000000000000040000000000000040000000000000000000000402804,000000001000084060500067e9627c8ab3224cef1d,0,0,32,2,0,6,34,34,-10.169,-1.462,0,0.0,0.133614019,-,0.583,-,0.583,https://www.genome.jp/dbget-bin/www_bget?dr:D05822
3571,D05932, Streptozocin (JAN/USAN/INN), Nitrosoureas,L01AD04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)NC(=O)N(C)N=O,265.221,-2.5,55.2129,151.92,25,5,10,ZSJLQEPLLKMAKR-GKHCUFPYSA-N,C8H15N3O7,OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",-5.2545,-4.6223,-3.8524,-3.8359,-3.1613,-2.3337,1.9138,2.3551,2.3742,2.4802,2.481,D05932_L01AD04,000b00000000a80003008c00008200002000003000028040000000000304011018001008800000570024151020010000010000000020c0110000000000000020089029000810000000008003009001000080014000002000e000000100000008002000000428000000000000c0003880000d2180000010000050000138000000,0000003c30a041,00380000000100410000000000000000004000000000000004000000000000000000043f402804,0000000010003841e05002772332504e9e6deaff1d,0,0,31,2,0,5,33,33,-10.379000000000001,-1.7169999999999999,5,3.0,0.000801454,-,0.5246,-,0.5246,https://www.genome.jp/dbget-bin/www_bget?dr:D05932
3572,D07255, Fotemustine (INN/BAN), Nitrosoureas,L01AD05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,ClCCN(C(=O)N[C@H](P(=O)(OCC)OCC)C)N=O,315.691,2.9212,72.0312,107.11,27,1,8,YAKWPXVTIGTRJH-MRVPVSSYSA-N,C9H19ClN3O5P,ClCCN(C(=O)NC(P(=O)(OCC)OCC)C)N=O,"InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)/t8-/m1/s1",-8.3521,-6.0849,-6.0818,-5.2564,-4.756,-4.5688,2.1211,2.1259,2.1263,2.6268,2.9381,D07255_L01AD05,038302800000000003008c4000800000004001000000004208000088010010000800000000000140002d31050001000302000001400000200003800028200040080008000800000020000229008801000000004000002000400000008000000800200800044000180000880004000010000c000008040000000600006c002600,0000000000a040,810000000000000000000000000000000040000000000000040000004004000000000000402804,00000010108008406050006769fa72aaa23a5eff09,0,0,34,3,0,11,38,37,-9.95,-1.262,1,1.0,,-,0.4222,-,0.4222,https://www.genome.jp/dbget-bin/www_bget?dr:D07255
3573,D08276, Nimustine (INN), Nitrosoureas,L01AD06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c(cn1)CNC(=O)N(CCCl)N=O)N)C,272.692,1.7711,66.6101,113.57,21,2,8,VFEDRRNHLBGPNN-UHFFFAOYSA-N,C9H13ClN6O2,ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,"InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)",-5.2363,-5.1018,-5.0461,-4.6235,-3.8538,-3.8022,1.9545,2.3276,2.5894,2.6197,2.7618,D08276_L01AD06,c00302c0000000400300ce000c800000000000800000004000000088010004000801000040008060002d0100000100800000204140004000040300020040044004000c00000102000000000000880100001000400400204050000000000100180038000004d000000040100020000001100e081800000800000000010e000410,0000000000b061,810000080000000000000000000000010040000000009000040000000000000000000600403800,000000003000184061d00a676b62f08bf6a36cef1f,0,6,23,2,0,7,31,31,-9.642999999999999,-1.589,0,-1.0,0.042865417999999995,-,0.6915,-,0.6915,https://www.genome.jp/dbget-bin/www_bget?dr:D08276
3574,D01059, Nimustine hydrochloride (JAN), Nitrosoureas,L01AD06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c(cn1)CNC(=O)N(CCCl)N=O)N)C,272.692,1.7711,66.6101,113.57,21,2,8,VFEDRRNHLBGPNN-UHFFFAOYSA-N,C9H13ClN6O2,ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,"InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)",-5.2427,-5.0957,-5.0899,-4.6177,-3.8564,-3.81,1.9532,2.0284,2.3268,2.3569,2.635,D01059_L01AD06,c00302c0000000400300ce000c800000000000800000004000000088010004000801000040008060002d0100000100800000204140004000040300020040044004000c00000102000000000000880100001000400400204050000000000100180038000004d000000040100020000001100e081800000800000000010e000410,0000000000b061,810000080000000000000000000000010040000000009000040000000000000000000600403800,000000003000184061d00a676b62f08bf6a36cef1f,0,6,23,2,0,7,31,31,-9.642999999999999,-1.594,0,1.0,0.042867775999999996,-,0.6915,-,0.6915,https://www.genome.jp/dbget-bin/www_bget?dr:D01059
3575,D01760, Ranimustine (JAN/INN), Nitrosoureas,L01AD07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OC)CNC(=O)N(CCCl)N=O)O)O)O,327.719,-1.2369,69.5461,140.92,28,4,10,AHHFEZNOXOZZQA-ZEBDFXRSSA-N,C10H18ClN3O7,ClCCN(C(=O)NCC1OC(OC)C(C(C1O)O)O)N=O,"InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6-,7+,8-,9+/m1/s1",-5.2793,-4.5755,-3.8457,-3.1568,-3.1531,-2.2095,1.9045,1.9080000000000001,2.0435,2.3311,2.3417,D01760_L01AD07,000b02800000a80003008c000282000020000034000080400000008803040110180010088000005710251510200110000100000140a0c011000300004000806008902b000810000000008003009801000080014000002000e000000100002008002000000438000000000000c0003880000d218000001000005000013c000400,0000002c30a041,802800000001804000000000000000000040000000000000040000000000000000000437402804,0000000010003841e05002776b6270eeae6feeff1d,0,0,37,2,0,8,39,39,-10.399000000000001,-1.746,5,1.0,0.004260797,-,0.3569,-,0.3569,https://www.genome.jp/dbget-bin/www_bget?dr:D01760
3576,D07256, Etoglucid (INN), Epoxides,L01AG01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(OCCOCCOCCOC[C@@H]1OC1)[C@H]1CO1,262.29900000000004,-0.1496,62.08,61.98,28,0,6,UMILHIMHKXVDGH-RYUDHWBXSA-N,C12H22O6,O(CCOCC1OC1)CCOCCOCC1OC1,"InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2/t11-,12-/m0/s1",-2.115,-2.0915,-1.5781,-1.5759999999999998,-1.5757,-1.5736,0.7290000000000001,0.7324,0.7346,1.1914,1.2172,D07256_L01AG01,0000000000000000000000000002000020000000000000000000000000040000100000080000000500000000200000000000000000000001000000000000000008800a0000000000000000000000000000800040000000000000000100200000400000000000000000000000c000000000000100000000000000000000000000,00000000302001,008000000000000000000000000000000000000000000000000000000000000000000c00402004,0080200000000001800020010010a0a0090b865518,0,0,41,0,0,13,40,41,-10.667,1.296,2,-2.0,0.010701988999999999,-,13.8337,-,13.8337,https://www.genome.jp/dbget-bin/www_bget?dr:D07256
3577,D02020, Mitobronitol (JAN/INN), Other alkylating agents,L01AX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,307.965,-0.7802,51.3432,80.92,16,4,4,VFKZTMPDYBFSTM-KVTDHHQDSA-N,C6H12Br2O4,BrCC(C(C(C(CBr)O)O)O)O,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1",-1.9139,-1.9024,-1.8955,-1.8914,-1.8189,-1.8062,1.3943,1.5481,1.5726,1.811,2.4342,D02020_L01AX01,0000000008000000000000000000000000000000000000000000400100000000100000000000000500000000000a000001000000002040010000000000000000080008000000000000000000000100000000004000000000000000000000000000000000000000000000000000a0680100000000000000000080000100000000,0000002c00a000,002a00000001000000000000000000000000000000000000000000000000000000000000402004,000000000020300080000007800000002c0e825508,0,0,23,0,0,5,24,23,-10.652000000000001,0.08199999999999999,4,1.0,,+,0.3097,-,0.3097,https://www.genome.jp/dbget-bin/www_bget?dr:D02020
3578,D00467, Pipobroman (JAN/USAN/INN), Other alkylating agents,L01AX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N1(C(=O)CCBr)CCN(CC1)C(=O)CCBr,356.05400000000003,1.103,77.832,40.62,20,0,4,NJBFOOCLYDNZJN-UHFFFAOYSA-N,C10H16Br2N2O2,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,-3.8932,-3.8849,-3.8111,-3.7944,-1.9393,-1.9384,0.9959,1.1682,1.1799,2.2066,2.3603,D00467_L01AX02,00020000080000000100040000000008000000000000000000008000000000001800000221040000100600300002000000020000000000000000000000004000000000000000000000200000028100000010004000002000000000000000000008000000000000000000000000000000000400040000100000a0000000000000,0400000000a001,020200000000000000008000120000000000000000000000000000000000000000000400402801,0000000000200000004430080a60b083a9230c6f1d,0,0,30,2,0,6,32,32,-10.015,0.39899999999999997,0,,0.215527773,+,0.4556,-,0.4556,https://www.genome.jp/dbget-bin/www_bget?dr:D00467
3579,D06067, Temozolomide (JAN/USAN/INN), Other alkylating agents,L01AX03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,NC(=O)c1c2n(cn1)c(=O)n(nn2)C,194.15099999999998,-1.3778,44.3989,108.17,12,1,8,BPEGJWRSRHCHSN-UHFFFAOYSA-N,C6H6N6O2,NC(=O)c1ncn2c1nnn(c2=O)C,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",-6.0384,-4.7979,-4.2918,-4.2279,-4.2065,-2.3284,1.3463,1.8486,1.8534,1.9614,2.3634,D06067_L01AX03,800020ac042000c00100460004c000000030000600000630000600c0000c24000c042000001000210006000020000280011004400000008008000003000000000c000c0800000a400000300000900000000801400c80094860000050000150040154400000c0004004800000400000001005000082200060180800472b400000,0400000000b001,000000000000000000008000060000004042000000009900000000000000000000004640402800,000000003000080021d41cf81323914b82e168ea1f,0,10,9,2,0,1,20,21,-10.002,-1.68,0,1.0,0.0007574989999999999,+,1.1104,-,1.1104,https://www.genome.jp/dbget-bin/www_bget?dr:D06067
3580,D00288, Dacarbazine (JAN/USP/INN), Other alkylating agents,L01AX04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(nc[nH]1)C(=O)N)/N=N/N(C)C,182.183,0.7692,44.7656,99.73,16,2,6,FDKXTQMXEQVLRF-ZHACJKMWSA-N,C6H10N6O,CN(N=Nc1[nH]cnc1C(=O)N)C,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+",-6.0508,-4.7847,-4.2277,-4.1976,-2.3246,-1.6033,1.1185,1.2727,1.8522,1.8543,2.363,D00288_L01AX04,000000c0000008c001004e000c003000000000002000008000142148800004000840000000000061204e000000000081000020c000000080000000020008020004000c000000020000003001008000000018004000c0294000000040800710000119008000400000000001005000000030050000010000000000000102000000,0400000000b001,000000000000000000008000060000004002000000009400000000000000000000000640433800,000000002000180021d22cf80120d00b56a178aa1b,0,5,16,2,0,3,23,23,-8.773,-0.633,0,,0.010780961,+,0.7961,-,0.7961,https://www.genome.jp/dbget-bin/www_bget?dr:D00288
3581,D07772, Dacarbazine citrate, Other alkylating agents,L01AX04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(nc[nH]1)C(=O)N)/N=N/N(C)C,182.183,0.7692,44.7656,99.73,16,2,6,FDKXTQMXEQVLRF-ZHACJKMWSA-N,C6H10N6O,CN(N=Nc1[nH]cnc1C(=O)N)C,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+",-6.0384,-4.7860000000000005,-4.2278,-4.2088,-2.3277,-1.6016,1.1192,1.2739,1.8513,1.8539,2.3607,D07772_L01AX04,000000c0000008c001004e000c003000000000002000008000142148800004000840000000000061204e000000000081000020c000000080000000020008020004000c000000020000003001008000000018004000c0294000000040800710000119008000400000000001005000000030050000010000000000000102000000,0400000000b001,000000000000000000008000060000004002000000009400000000000000000000000640433800,000000002000180021d22cf80120d00b56a178aa1b,0,5,16,2,0,3,23,23,-8.773,-0.631,0,0.0,0.01076921,+,0.7961,-,0.7961,https://www.genome.jp/dbget-bin/www_bget?dr:D07772
3582,D00142, Methotrexate (JP17/USP/INN), Folic acid analogues,L01BA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N,454.439,1.8217,118.399,210.54,33,5,13,FBOZXECLQNJBKD-ZDUSSCGKSA-N,C20H22N8O5,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",-6.7711,-5.1331,-5.1253,-5.1072,-5.1065,-4.8482,2.6581,2.7903,2.8299,3.4623,3.4647,D00142_L01BA01,c00a8080004004e0011846000c8100008c00009000800008010000c0000014001c00400040088123408e061c00001040010220400000400800000002000004180c010c1040048e00008010022288000600b0004004002141c0080200000140100118002200e0000000c01000c8101a0a300e0998020918000058a0010ac00310,0400000c00b023,0200400801000000000088000a0000010001000000009000000000000000000000004640403804,000000012000300001d0385e9a63b407dc2d4fff1f,0,17,37,3,0,10,55,57,-1.665,1.355,1,,5.96663e-10,+,2.7049,-,2.7049,https://www.genome.jp/dbget-bin/www_bget?dr:D00142
3583,D00142, Methotrexate (JP17/USP/INN), Other immunosuppressants,L04AX03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N,454.439,1.8217,118.399,210.54,33,5,13,FBOZXECLQNJBKD-ZDUSSCGKSA-N,C20H22N8O5,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",-6.7752,-5.1315,-5.1299,-5.1112,-5.102,-4.8428,2.6254,2.8148,2.8303,3.4612,3.4725,D00142_L04AX03,c00a8080004004e0011846000c8100008c00009000800008010000c0000014001c00400040088123408e061c00001040010220400000400800000002000004180c010c1040048e00008010022288000600b0004004002141c0080200000140100118002200e0000000c01000c8101a0a300e0998020918000058a0010ac00310,0400000c00b023,0200400801000000000088000a0000010001000000009000000000000000000000004640403804,000000012000300001d0385e9a63b407dc2d4fff1f,0,17,37,3,0,10,55,57,-1.665,1.355,1,,5.96663e-10,+,2.7049,-,2.7049,https://www.genome.jp/dbget-bin/www_bget?dr:D00142
3584,D02115, Methotrexate sodium, Folic acid analogues,L01BA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N,454.439,1.8217,118.399,210.54,33,5,13,FBOZXECLQNJBKD-ZDUSSCGKSA-N,C20H22N8O5,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",-6.7739,-5.1346,-5.1232,-5.1089,-5.1085,-4.8522,2.6211,2.7925,2.8369999999999997,3.4584,3.4617,D02115_L01BA01,c00a8080004004e0011846000c8100008c00009000800008010000c0000014001c00400040088123408e061c00001040010220400000400800000002000004180c010c1040048e00008010022288000600b0004004002141c0080200000140100118002200e0000000c01000c8101a0a300e0998020918000058a0010ac00310,0400000c00b023,0200400801000000000088000a0000010001000000009000000000000000000000004640403804,000000012000300001d0385e9a63b407dc2d4fff1f,0,17,37,3,0,10,55,57,-1.663,1.357,1,,5.97767e-10,+,2.6789,-,2.6789,https://www.genome.jp/dbget-bin/www_bget?dr:D02115
3585,D02115, Methotrexate sodium, Other immunosuppressants,L04AX03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)N)N,454.439,1.8217,118.399,210.54,33,5,13,FBOZXECLQNJBKD-ZDUSSCGKSA-N,C20H22N8O5,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",-6.7726,-5.1322,-5.1283,-5.1088,-5.1073,-4.8444,2.6092,2.8,2.8277,3.4624,3.4705,D02115_L04AX03,c00a8080004004e0011846000c8100008c00009000800008010000c0000014001c00400040088123408e061c00001040010220400000400800000002000004180c010c1040048e00008010022288000600b0004004002141c0080200000140100118002200e0000000c01000c8101a0a300e0998020918000058a0010ac00310,0400000c00b023,0200400801000000000088000a0000010001000000009000000000000000000000004640403804,000000012000300001d0385e9a63b407dc2d4fff1f,0,17,37,3,0,10,55,57,-1.663,1.357,1,,5.97767e-10,+,2.6789,-,2.6789,https://www.genome.jp/dbget-bin/www_bget?dr:D02115
3586,D01064, Raltitrexed (JAN/USAN/INN), Folic acid analogues,L01BA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,s1c(ccc1N(Cc1cc2c(cc1)[nH]c([nH]c2=O)C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O,459.496,2.5823,120.631,183.83,29,5,9,KSTQNFDSJHFLOI-HNNXBMFYSA-N,C21H23N4O6S,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)[nH]c([nH]2)C)C,"InChI=1S/C21H23N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15,22H,5,8,10H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t15-/m0/s1",-5.4178,-5.0874,-4.7318,-4.5815,-4.5421,-4.5238,2.3776,2.4397,2.5857,2.6510000000000002,2.6577,D01064_L01BA03,000ae10000400aa011000e0010030000840400900000000000000044003001021c40501000000063b09e055800111000098200005020600a1c00000200100d110800180000240200218000023a98000f803401400402200082010200000000001a702432840108000020000080841820000e008000011002005c00014ac00300,0400000c00b023,0700000000000000030088002a000000000100000000c000000000000000000000004640402804,00000000284430000090b5de9b69b4c7dd6d5fff1f,0,5,55,4,0,10,62,64,-3.655,-2.73,1,1.0,7.09485e-08,-,3.1356,-,3.1356,https://www.genome.jp/dbget-bin/www_bget?dr:D01064
3587,D07472, Pemetrexed (INN), Folic acid analogues,L01BA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCc1c2c([nH]c1)[nH]c([nH]c2=O)N,428.41900000000004,1.8527,112.109,194.16,28,7,8,IPDMLMJQLBQYOE-ZDUSSCGKSA-N,C20H22N5O6,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c([nH]2)N,"InChI=1S/C20H22N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13,25H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,29)/t13-/m0/s1",-8.8835,-7.8233,-7.6506,-6.7649,-5.7852,-5.6992,3.4944,3.6762,4.2602,4.3106,4.3897,D07472_L01BA04,002e800001401ca013000600020100000000009000000000000000c0003001001c00500000000003108e071800010000010200001020400000000002000000100800080000040000000020022a98008f00b803400200300ae0090a000009300000300022040000001000000080001800000e014002011000005c000308800300,0400000c00b003,0600000000000042000088002a0000000001000000000000000000000000000000004640402804,000000012004300000900ece9b63b0459d6d477f1f,0,6,50,4,0,10,58,60,-3.3,-2.367,1,-1.0,2.0822800000000004e-09,+,3.5803,-,3.5803,https://www.genome.jp/dbget-bin/www_bget?dr:D07472
3588,D03828, Pemetrexed disodium (USAN), Folic acid analogues,L01BA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCc1c2c([nH]c1)[nH]c([nH]c2=O)N,428.41900000000004,1.8527,112.109,194.16,28,7,8,YIXUUJRFFOAYHO-ZDUSSCGKSA-N,C20H22N5O6,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c([nH]2)N,"InChI=1S/C20H22N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13,22,24H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H3,21,25,29)/t13-/m0/s1",-8.9325,-7.7932,-7.62,-6.7619,-5.8237,-5.6973,3.455,3.677,4.2563,4.2860000000000005,4.3883,D03828_L01BA04,002e800001401ca013000600020100000000009000000000000000c0003001001c00500000000003108e071800010000010200001020400000000002000000100800080000040000000020022a98008f00b803400200300ae0090a000009300000300022040000001000000080001800000e014002011000005c000308800300,0400000c00b003,0600000000000042000088002a0000000001000000000000000000000000000000004640402804,000000012004300000900ece9b63b0459d6d477f1f,0,6,50,4,0,10,58,60,-3.301,-2.3680000000000003,1,1.0,2.07986e-09,+,3.5486,-,3.5486,https://www.genome.jp/dbget-bin/www_bget?dr:D03828
3589,D06503, Pemetrexed sodium hydrate (JAN), Folic acid analogues,L01BA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCc1c2c([nH]c1)[nH]c([nH]c2=O)N,428.41900000000004,1.8527,112.109,194.16,28,7,8,YIXUUJRFFOAYHO-ZDUSSCGKSA-N,C20H22N5O6,OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c([nH]2)N,"InChI=1S/C20H22N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13,22,24H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H3,21,25,29)/t13-/m0/s1",-8.9127,-7.7639,-7.6024,-6.7801,-5.8393,-5.7075,3.4557,3.6835,4.2176,4.2513,4.3660000000000005,D06503_L01BA04,002e800001401ca013000600020100000000009000000000000000c0003001001c00500000000003108e071800010000010200001020400000000002000000100800080000040000000020022a98008f00b803400200300ae0090a000009300000300022040000001000000080001800000e014002011000005c000308800300,0400000c00b003,0600000000000042000088002a0000000001000000000000000000000000000000004640402804,000000012004300000900ece9b63b0459d6d477f1f,0,6,50,4,0,10,58,60,-3.299,-2.366,1,1.0,2.0820999999999997e-09,+,3.5486,-,3.5486,https://www.genome.jp/dbget-bin/www_bget?dr:D06503
3590,D05589, Pralatrexate (JAN/USAN/INN), Folic acid analogues,L01BA05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(ncc(n1)C[C@H](c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC#C)nc(nc2N)N,477.473,2.5349,126.54799999999999,207.3,33,5,12,OGSBUKJUDHAQEA-ZBFHGGJFSA-N,C23H23N7O5,C#CCC(c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N,"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14-,16+/m1/s1",-6.7665,-5.1278,-5.1261,-5.1072,-5.1069,-4.8439,2.613,2.7761,2.8249,3.4613,3.4795,D05589_L01BA05,c00f8020004804e00318c6000c0100108c00009000800008000000c0000804001c00400840088023408e161c08010000010220400804400000000006000000180c000c1000048e00001810022288008600b8004084803028c0080a00000940100018002200a0000100c00000c83158063006895802051800005880010a800302,0400000c00b023,2600000800000000000088000a0000010001000000009000000000000000000000004640403804,000001012000300001d0084e9263b005dc2d477e1f,0,17,39,3,1,11,58,60,-1.683,1.3319999999999999,2,0.0,2.6503200000000003e-08,-,2.5201,-,2.5201,https://www.genome.jp/dbget-bin/www_bget?dr:D05589
3591,D04931, Mercaptopurine (INN), Purine analogues,L01BB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c([nH]c[nH]c1=S)nc[nH]2,153.185,1.2297,40.0361,92.35,7,3,2,WGNMXEXESKIFAB-UHFFFAOYSA-N,C5H5N4S,S=c1[nH]c[nH]c2c1[nH]cn2,"InChI=1S/C5H5N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2,9H,(H2,6,7,8,10)",-5.0825,-4.8684,-4.8384,-4.7745,-4.7588,-4.5995,2.3328,2.5503,3.2711,3.9453,4.8465,D04931_L01BB02,0802010001001000100004000000400e0000024000000000040000000000000010000000000000000000033000310000000b0001000000000020000010200000000000000000000000200000003000010000004002002006200102000000000000200020040000000000000000000000000c0020000010000000000000000000,2000000000a001,000000000000004203008000000400000000000000000000000000000000000000004400400804,000000082044308000d187861a0180810423402915,0,0,20,1,0,0,20,21,-13.015,-6.08,0,1.0,1.2042100000000001e-05,+,0.7514,-,0.7514,https://www.genome.jp/dbget-bin/www_bget?dr:D04931
3592,D00161, Mercaptopurine (USP), Purine analogues,L01BB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c([nH]c[nH]c1=S)nc[nH]2,153.185,1.2297,40.0361,92.35,7,3,2,WGNMXEXESKIFAB-UHFFFAOYSA-N,C5H5N4S,S=c1[nH]c[nH]c2c1[nH]cn2,"InChI=1S/C5H5N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2,9H,(H2,6,7,8,10)",-5.0825,-4.8684,-4.8384,-4.7745,-4.7588,-4.5995,2.3328,2.5503,3.2711,3.9453,4.8465,D00161_L01BB02,0802010001001000100004000000400e0000024000000000040000000000000010000000000000000000033000310000000b0001000000000020000010200000000000000000000000200000003000010000004002002006200102000000000000200020040000000000000000000000000c0020000010000000000000000000,2000000000a001,000000000000004203008000000400000000000000000000000000000000000000004400400804,000000082044308000d187861a0180810423402915,0,0,20,1,0,0,20,21,-13.017000000000001,-6.0760000000000005,0,-1.0,1.2047999999999999e-05,+,0.7514,-,0.7514,https://www.genome.jp/dbget-bin/www_bget?dr:D00161
3593,D08603, Tioguanine (INN), Purine analogues,L01BB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c([nH]c([nH]c1=S)N)[nH]cn2,168.2,1.3931,44.4405,118.37,9,4,3,GEYZAGPMIUHXPS-UHFFFAOYSA-N,C5H6N5S,Nc1[nH]c(=S)c2c([nH]1)[nH]cn2,"InChI=1S/C5H6N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1,9H,(H,7,8)(H3,6,10,11)",-8.8972,-7.7574,-7.6248,-5.6979999999999995,-5.6956,-5.379,3.6478,3.6791,4.2084,4.3122,4.3947,D08603_L01BB03,0802010001001000100004000000400e0000024000000000040000000000000010000000000000000000033000310000000b0001000000000020000010200000000000000000000000200000003000010000004002002006200102000000000000200020040000000000000000000000000c0020000010000000000000000000,2000000000a001,000000000000004200008000000400000000000000000000000000000000000000004400400804,000000092044308000d18f861a0380011421402915,0,0,22,1,0,0,22,23,-12.323,-5.773,0,0.0,6.28467e-06,+,0.9923,-,0.9923,https://www.genome.jp/dbget-bin/www_bget?dr:D08603
3594,D06109, Thioguanine (USP), Purine analogues,L01BB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(nc(n1)N)S)nc[nH]2,167.192,0.805,43.3401,119.28,10,3,5,WYWHKKSPHMUBEB-UHFFFAOYSA-N,C5H5N5S,Nc1nc(S)c2c(n1)[nH]cn2,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",-6.7618,-5.1349,-5.1274,-4.7881,-4.3766,-2.7105,1.8391,2.0986,2.1067,2.1078,3.1684,D06109_L01BB03,e0020100000000c0001046000800000000000000000002000000000000000000140000004008802140800104800000000000200000004000000000040000000004000c10000000000000000002000000001000600480100040000000000140000018000000a0010000c00000400000000006100000000800001880000a000000,0000000000b021,000000080000000000000000000010000000000000409400000000000000000000004600401800,000000012040108401d08d80120380015421402817,0,10,7,0,0,0,16,17,-8.651,-0.276,0,-1.0,0.011565375,+,0.7975,-,0.7975,https://www.genome.jp/dbget-bin/www_bget?dr:D06109
3595,D01370, Cladribine (JAN/USAN/INN), Purine analogues,L01BB04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(C[C@@H](O[C@@H]1CO)n1c2nc(nc(c2nc1)N)Cl)O,285.687,0.2838,66.52199999999999,119.31,19,3,8,PTOAARAWEBMLNO-KVQBGUIXSA-N,C10H12ClN5O3,OCC1OC(CC1O)n1cnc2c1nc(Cl)nc2N,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",-5.2775,-5.1187,-5.1086,-4.819,-3.8286,-2.9812,1.7397,1.9235,2.0378,2.075,2.369,D01370_L01BB04,c0000200002028c000004600080200006000001000020000020200400004001014000008400080255001001020000880013020800000c01900000000200020000c801c10801408c00001880308100003049001400c80000cb00080010001400000080000008c000000c000006000180020060988000008000018c0150a800000,0000003c30b021,023800080000000000000000000000010000000000049800000000000000000000004601403804,000000002000102181d45e8fd37790c37d65ea7d1f,0,10,23,0,0,2,31,33,-9.062000000000001,-0.285,3,,0.007371374,+,1.1077,-,1.1077,https://www.genome.jp/dbget-bin/www_bget?dr:D01370
3596,D07966, Fludarabine (INN), Purine analogues,L01BB05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1([C@@H]([C@@H](O[C@@H]1CO)n1c2nc(nc(c2nc1)N)F)O)O,285.232,-1.2597,62.6318,139.54,20,4,9,HBUBKKRHXORPQB-FJFJXFQQSA-N,C10H12FN5O4,OCC1OC(C(C1O)O)n1cnc2c1nc(F)nc2N,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1",-5.3603,-5.1248,-5.11,-4.8848,-3.8289999999999997,-2.9699,2.0081,2.0611,2.0818,2.2429,2.3659,D07966_L01BB05,c0020000000028c00000460008020000700000100002000002001040008400101400000c400080275020801020000880011020800000c01920000000200020000cc01e10801008000021880300100000049001400c80000cb000800100014000c0080000038c005000c00000e000380020060988000018800018c0010a000000,0000003c30b021,003800080001000000000000000000010000000000089800000000000000000000004601403804,000000002002302181d45ecf133790437c6dea7d1f,1,10,24,0,0,2,32,34,-9.097999999999999,-0.276,4,1.0,0.0018376920000000001,-,1.3675,-,1.3675,https://www.genome.jp/dbget-bin/www_bget?dr:D07966
3597,D01907, Fludarabine phosphate (JAN/USP), Purine analogues,L01BB05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1([C@@H]([C@@H](O[C@@H]1COP(=O)(O)O)n1c2nc(nc(c2nc1)N)F)O)O,365.212,-1.1427,73.5421,195.88,22,5,12,GIUYCYHIANZCFB-FJFJXFQQSA-N,C10H13FN5O7P,OC1C(O)C(OC1n1cnc2c1nc(F)nc2N)COP(=O)(O)O,"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1",-10.5653,-10.5345,-10.1935,-7.5469,-5.3882,-5.1216,2.9687,3.0566,3.4399,3.5138,5.119,D01907_L01BB05,c0820000000068c11400460008020000700001100002000e02001040008400101400000c400080275028801420000880035020800000c0192000000020002a000cca1e108010080020218a0300100000049001400c80000cb000800100414000c008000003cc005000c00000e4003800200e0989100518800018c0010a000000,0000002c30b021,002800080001000000000000000000010000000000089800000000000010200000004601403804,000000102086202191d45ccf33b7906b7e6dea7d1f,1,10,28,1,0,4,37,39,0.204,3.303,4,,4.82443e-15,-,1.5487,-,1.5487,https://www.genome.jp/dbget-bin/www_bget?dr:D01907
3598,D03546, Clofarabine (JAN/USAN/INN), Purine analogues,L01BB06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1([C@@H]([C@@H](O[C@@H]1CO)n1c2nc(nc(c2nc1)N)Cl)F)O,303.677,0.2318,66.57300000000001,119.31,18,3,8,WDDPHFBMKLOVOX-AYQXTPAHSA-N,C10H11ClFN5O3,OCC1OC(C(C1O)F)n1cnc2c1nc(Cl)nc2N,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",-5.2773,-5.1247,-5.1097,-4.8213,-3.8263,-2.9769,1.7386,1.9136,2.0376,2.0744,2.369,D03546_L01BB06,c0060200002028c0000046080802002060000010a00200000202204000040010140070084000802550010010a0010880013020800000c01900000000200020000c801c10801408c00001880308100003049001400c80000cb00080010001400000080000168c000000c000006000180020060988000018080018c0150a800000,0000003c30b021,003900080000000000000000000000010000000000049800000000000000000000004601403804,000000002002102181d45e8b533790437c65ea7d1f,1,10,23,0,0,2,31,33,-9.101,-0.34600000000000003,4,,0.007135366999999999,-,1.3904,-,1.3904,https://www.genome.jp/dbget-bin/www_bget?dr:D03546
3599,D05134, Nelarabine (JAN/USAN/INN), Purine analogues,L01BB07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,n1(c2c(nc1)c(nc(n2)N)OC)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO,297.267,-1.3902,69.1658,148.77,24,4,10,IXOXBSCIXZEQEQ-UHTZMRCNSA-N,C11H15N5O5,OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2OC,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",-6.7636,-5.1316,-5.1276,-4.7839,-4.3755,-2.9781,2.1063,2.1112,2.1722,2.1875,3.1662,D05134_L01BB07,80002808004028c00010460008020000700000100002060002020040400c00101408400c400880275000001c20000a80011024000000c01908000000200020000cc01e10841088010001880b04110000009005400c80000cf0008081000140000808400000ac001404c00000e000388000060180080008e01818c0010a400000,0000003c70b021,003802080001000000000000000004000000000000009800000000000000000000004601403804,000000012000302181d41edf133391635c6deafd1f,0,10,28,0,0,3,36,38,-8.891,-0.039,4,1.0,0.0012338569999999999,+,1.5647,-,1.5647,https://www.genome.jp/dbget-bin/www_bget?dr:D05134
3600,D00168, Cytarabine (JP17/USP/INN), Pyrimidine analogues,L01BC01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(n2c(=O)[nH]c(cc2)N)O[C@@H]([C@H]([C@@H]1O)O)CO,244.225,-1.7676,56.8105,133.73,20,5,7,IZAVJPIGYLTLKA-CCXZUQQUSA-N,C9H14N3O5,OCC1OC(C(C1O)O)n1ccc([nH]c1=O)N,"InChI=1S/C9H14N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,11,13-15H,3,10H2/t4-,6-,7+,8-/m1/s1",-5.6266,-5.3395,-5.0463,-5.0391,-4.7532,-4.6147,2.3636,2.388,2.6343,2.6756,2.9718,D00168_L01BC01,002a000001001880110004000002000060002010000000000210000003040100380010088000000794041f1020010000010200004008c00100000a000000003008801a000000080000010003029000010080014000002002a001000100020000002000200400020000800000c0003800100c0100000010000174400110000000,0000003c30a041,023800000001000003000000000000000040040000000000000000000000000000000437402804,000000003004302180941ecf8b72b0431c6fee7f1d,0,0,34,1,0,2,34,35,-13.890999999999998,-5.61,4,,5.34913e-07,-,0.6399,-,0.6399,https://www.genome.jp/dbget-bin/www_bget?dr:D00168
3601,D03046, Cytarabine ocfosphate hydrate (JAN), Pyrimidine analogues,L01BC01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(n2ccc([nH]c2=O)N)O[C@@H]([C@H]([C@@H]1O)O)CO[P@](=O)(OCCCCCCCCCCCCCCCCCC)O,576.683,5.6352,154.17,179.07,59,5,10,AFOHDIWFFBPSHU-URBBEOKESA-N,C27H51N3O8P,CCCCCCCCCCCCCCCCCCOP(=O)(OCC1OC(C(C1O)O)n1ccc([nH]c1=O)N)O,"InChI=1S/C27H51N3O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-39(34,35)37-21-22-24(31)25(32)26(38-22)30-19-18-23(28)29-27(30)33/h18-19,22,24-26,29,31-32H,2-17,20-21,28H2,1H3,(H,34,35)/t22-,24-,25+,26-/m1/s1",-10.7933,-10.2549,-7.542000000000001,-7.4947,-5.7909,-5.212000000000001,3.1048,3.1622,3.5802,3.8358,4.7477,D03046_L01BC01,00aa010001005a911500040000020000600021100000000e02100000030401003800100880000007940c1f1420010000035200004028c02100008a0020000a30088a1a000000080020018203029000010080014000002002a001000100420000002000200440020000800800c4003800100e0101100510000174400110000000,0000002c30a041,032800000001000003000000000000000040040000000000000000000020200000000437402804,000000103084202190941ccfabfabeeb9f6feeff1d,0,0,92,2,0,22,93,94,-6.962000000000001,-3.858,4,,0.022574371,-,4.3736,-,4.3736,https://www.genome.jp/dbget-bin/www_bget?dr:D03046
3602,D03637, Cytarabine hydrochloride (USAN), Pyrimidine analogues,L01BC01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(n2c(=O)[nH]c(cc2)N)O[C@@H]([C@H]([C@@H]1O)O)CO,244.225,-1.7676,56.8105,133.73,20,5,7,IZAVJPIGYLTLKA-CCXZUQQUSA-N,C9H14N3O5,OCC1OC(C(C1O)O)n1ccc([nH]c1=O)N,"InChI=1S/C9H14N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,11,13-15H,3,10H2/t4-,6-,7+,8-/m1/s1",-5.6299,-5.353,-5.045,-5.0415,-4.7731,-4.6029,2.3204,2.3526,2.5886,2.7025,2.9712,D03637_L01BC01,002a000001001880110004000002000060002010000000000210000003040100380010088000000794041f1020010000010200004008c00100000a000000003008801a000000080000010003029000010080014000002002a001000100020000002000200400020000800000c0003800100c0100000010000174400110000000,0000003c30a041,023800000001000003000000000000000040040000000000000000000000000000000437402804,000000003004302180941ecf8b72b0431c6fee7f1d,0,0,34,1,0,2,34,35,-13.892000000000001,-5.607,4,0.0,5.36309e-07,-,0.6399,-,0.6399,https://www.genome.jp/dbget-bin/www_bget?dr:D03637
3603,D00584, Fluorouracil (JP17/USP/INN), Pyrimidine analogues,L01BC02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(=O)c(c[nH]c(=O)[nH]1)F,130.077,-0.7977,27.6414,65.72,5,2,2,GHASVSINZRGABV-UHFFFAOYSA-N,C4H3FN2O2,Fc1c[nH]c(=O)[nH]c1=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",-4.6197,-4.124,-3.9039,-3.5567,-3.1614,-2.8308,1.7657,1.7677,1.8049,1.8103,1.9469999999999998,D00584_L01BC02,800200000000004000004200004000000008040000000020000000c00000040000001000400080200000000000000000000000000000400000c000100000000004000c00000022000010c00000800000000000000400000420000000000100060000000000000000004000000000000000060006000010000000000002000000,00000000003001,000000000000000000008000200000004042040000088500000000000000000000000640401800,00000000100610000190400903269141a4e1604a1f,1,6,4,2,0,0,12,12,-10.079,-0.626,0,,0.009011678,-,0.6698,-,0.6698,https://www.genome.jp/dbget-bin/www_bget?dr:D00584
3604,D07974, Fluorouracil sodium salt, Pyrimidine analogues,L01BC02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(=O)c(c[nH]c(=O)[nH]1)F,130.077,-0.7977,27.6414,65.72,5,2,2,GHASVSINZRGABV-UHFFFAOYSA-N,C4H3FN2O2,Fc1c[nH]c(=O)[nH]c1=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",-4.6197,-4.124,-3.9039,-3.5567,-3.1614,-2.8308,1.7657,1.7677,1.8049,1.8103,1.9469999999999998,D07974_L01BC02,800200000000004000004200004000000008040000000020000000c00000040000001000400080200000000000000000000000000000400000c000100000000004000c00000022000010c00000800000000000000400000420000000000100060000000000000000004000000000000000060006000010000000000002000000,00000000003001,000000000000000000008000200000004042040000088500000000000000000000000640401800,00000000100610000190400903269141a4e1604a1f,1,6,4,2,0,0,12,12,-10.086,-0.627,0,1.0,0.008995196,-,0.6698,-,0.6698,https://www.genome.jp/dbget-bin/www_bget?dr:D07974
3605,D01244, Tegafur (JP17/USAN/INN), Pyrimidine analogues,L01BC03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(OCCC1)n1c(=O)[nH]c(=O)c(c1)F,200.167,-0.0153,45.9347,64.09,12,1,4,WFWLQNSHRPWKFK-ZCFIWIBFSA-N,C8H9FN2O3,O=c1[nH]c(=O)n(cc1F)C1CCCO1,"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1",-4.614,-4.1238,-3.5387,-3.3464,-3.2641,-3.1724,1.6515,1.767,1.7946,1.8077,2.3199,D01244_L01BC03,800200000010284000004701004200000208041000020020020000c00004041010003000410080211000001000000080011000000000400800c00010000020000c001c008010aa001011c80100900000008001400c00000cb0000081000100060000000000040000e04100004000180000060186000014000000400002000000,00000000303001,020000000000000000008000200000004042040000088d00000000000000000000000640403804,00000000100200210194548d0376b143b9e16e7b1f,1,6,16,2,0,1,23,24,-9.809,-0.42100000000000004,1,,0.023220539,-,0.9119,-,0.9119,https://www.genome.jp/dbget-bin/www_bget?dr:D01244
3606,D01784, Carmofur (JP17/INN), Pyrimidine analogues,L01BC04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1n(c(=O)[nH]c(=O)c1F)C(=O)NCCCCCC,257.26099999999997,1.2046,64.7754,83.96,20,2,5,AOCCBINRVIKJHY-UHFFFAOYSA-N,C11H16FN3O3,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)",-5.2789,-4.5919,-4.5826,-4.1071,-3.8206,-3.5353,1.7877,1.8019999999999998,2.2885,2.4952,2.6357,D01784_L01BC04,8002000000100840130046000040000802080c1000000020010000c00100040018003002c10080211004051800000000010000008020c00000c000100000010006000c00800062008010c00100900000000001400c00200cf0000080000120060020000000000000c040000000000800000f0006800018000014200102000001,0000000000b001,030000000000000000008000200000004042040200088d00000000000000000000000640403800,00000000100210000194520f8b6ebfc3a5e16eef1f,1,6,25,3,0,7,34,34,-10.407,-1.022,0,,0.048056193,-,1.1783,-,1.1783,https://www.genome.jp/dbget-bin/www_bget?dr:D01784
3607,D02368, Gemcitabine (USAN/INN), Pyrimidine analogues,L01BC05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(n2c(=O)[nH]c(cc2)N)C([C@@H]([C@H](O1)CO)O)(F)F,264.20599999999996,-0.4932,55.7887,113.5,17,4,6,MSQPLFVLHOMTRB-QPPQHZFASA-N,C9H12F2N3O4,OCC1OC(C(C1O)(F)F)n1ccc([nH]c1=O)N,"InChI=1S/C9H12F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,13,15-16H,3,12H2/t4-,6-,7-/m1/s1",-5.6284,-5.3357,-5.0458,-5.0447,-4.7576,-4.6224,2.3841,2.5821,2.6756,2.978,3.698,D02368_L01BC05,002e000001001880110004080002002060002090a00000000210000003040104380070088000000594041f1020010000010200004008c00100000a000000000008801a000000080000014003029000010080014000002002a001008101020000002000201400020040a0000040001800100c0100000010080134400100000000,0000003c30a041,023900000000000003000000000000000040040000000000000000000000000000000437402804,000000003006102180945e8f8bf6b0433c6fee7f1d,2,0,33,1,0,2,33,34,-13.945,-5.485,3,1.0,5.07132e-06,-,0.9109,-,0.9109,https://www.genome.jp/dbget-bin/www_bget?dr:D02368
3608,D01155, Gemcitabine hydrochloride (JAN/USAN), Pyrimidine analogues,L01BC05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(n2c(=O)[nH]c(cc2)N)C([C@@H]([C@H](O1)CO)O)(F)F,264.20599999999996,-0.4932,55.7887,113.5,17,4,6,MSQPLFVLHOMTRB-QPPQHZFASA-N,C9H12F2N3O4,OCC1OC(C(C1O)(F)F)n1ccc([nH]c1=O)N,"InChI=1S/C9H12F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,13,15-16H,3,12H2/t4-,6-,7-/m1/s1",-5.6287,-5.346,-5.0457,-5.0454,-4.7577,-4.6151,2.397,2.5762,2.6784,2.9775,3.7025,D01155_L01BC05,002e000001001880110004080002002060002090a00000000210000003040104380070088000000594041f1020010000010200004008c00100000a000000000008801a000000080000014003029000010080014000002002a001008101020000002000201400020040a0000040001800100c0100000010080134400100000000,0000003c30a041,023900000000000003000000000000000040040000000000000000000000000000000437402804,000000003006102180945e8f8bf6b0433c6fee7f1d,2,0,33,1,0,2,33,34,-13.943,-5.49,3,,5.59391e-06,-,0.9109,-,0.9109,https://www.genome.jp/dbget-bin/www_bget?dr:D01155
3609,D01223, Capecitabine (JAN/USAN/INN), Pyrimidine analogues,L01BC06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1([C@H]([C@@H](O[C@@H]1C)n1c(=O)[nH]c(c(c1)F)NC(=O)OCCCCC)O)O,360.358,1.0474,86.21700000000001,125.81,30,4,8,UZSWRMHAVOGPJK-UORFTKCHSA-N,C15H23FN3O6,CCCCCOC(=O)Nc1[nH]c(=O)n(cc1F)C1OC(C(C1O)O)C,"InChI=1S/C15H23FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,17,20-21H,3-6H2,1-2H3,(H,18,23)/t8-,10-,11-,13-/m1/s1",-6.0544,-5.3906,-5.3028,-4.7769,-4.6228,-4.4286,2.4863,2.6417,2.752,2.7857,2.9745,D01223_L01BC06,002a0000010018801302040000020000600020100000000002100000030401043800300880000007940c1f1020010000010200004008c00100000a000000823008001a000000080000014000029000010080014002082002a001008103020000002000a00400020040a10000c0001800100f0100000110000174400710000000,0000002c30a041,032900000001000003000000000000000040040100000000000000000000000000000437402804,0000400030062021809454cf0b3ebe67bd6ffeff1d,1,0,50,2,0,8,51,52,-13.495999999999999,-5.954,4,,0.00083344,-,1.2537,-,1.2537,https://www.genome.jp/dbget-bin/www_bget?dr:D01223
3610,D03021, Azacitidine (JAN/USAN/INN), Pyrimidine analogues,L01BC07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(n2c[nH]c([nH]c2=O)N)[C@@H]([C@@H]([C@H](O1)CO)O)O,246.22099999999998,-2.1584,55.5682,149.52,20,6,7,WEURVTWWTYCQAI-KVTDHHQDSA-N,C8H14N4O5,OCC1OC(C(C1O)O)n1c[nH]c([nH]c1=O)N,"InChI=1S/C8H14N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,10-11,13-15H,1,9H2/t3-,4-,5-,6-/m1/s1",-8.8853,-7.9385,-7.881,-7.7112,-6.7869,-6.5421,3.6144,3.7098,3.7185,4.3105,4.4127,D03021_L01BC07,000a00000110080001000400000200006000001000000000021000000204010038001008800000071404171020010000010000000008c001000002000000002008801a0000000800000100030290000000800140020020068000000100020000002000000400020000000000c0003800100c0100000010000170400310000000,0000003c30a041,003800000001000003000000000000000040040000000000000000000000000000000437402804,000000091004302180941ecf0b3290431c6fea7f1d,0,0,33,1,0,2,33,34,-21.553,-19.247,4,,5.76806e-19,-,0.7402,-,0.7402,https://www.genome.jp/dbget-bin/www_bget?dr:D03021
3611,D03665, Decitabine (USAN/INN), Pyrimidine analogues,L01BC08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(C[C@@H](O[C@@H]1CO)n1c(=O)[nH]c([nH]c1)N)O,230.22099999999998,-1.1292,54.4064,129.29,19,5,6,DKQUFRHERQDUJG-KVQBGUIXSA-N,C8H14N4O4,OCC1OC(CC1O)n1c[nH]c([nH]c1=O)N,"InChI=1S/C8H14N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,10-11,13-14H,1-2,9H2/t4-,5+,6+/m0/s1",-8.8862,-7.9382,-7.8657,-7.7523,-6.7786,-6.5932,3.6242,3.6247,3.7394,4.3095,4.386,D03665_L01BC08,000a00000110080001000400000200006000001000000000021000000204010038001008800000051404171020010000010000000008c0010000020000000000088018000000080000010003029000000080014002002006800000010002000000200000040002000000000040001800100c0100000010000130400300000000,0000003c30a041,023800000000000003000000000000000040040000000000000000000000000000000437402804,000000091004102180941e8f8b7290c31d6fea7f1d,0,0,32,1,0,2,32,33,-21.564,-19.070999999999998,3,2.0,8.20332e-21,-,0.664,-,0.664,https://www.genome.jp/dbget-bin/www_bget?dr:D03665
3612,D02131, Tegafur - uracil mixt, Pyrimidine analogues,L01BC53,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(OCCC1)n1c(=O)[nH]c(=O)c(c1)F,200.167,-0.0153,45.9347,64.09,12,1,4,WFWLQNSHRPWKFK-ZCFIWIBFSA-N,C8H9FN2O3,O=c1[nH]c(=O)n(cc1F)C1CCCO1,"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1",-4.614,-4.1238,-3.5387,-3.3464,-3.2641,-3.1724,1.6515,1.767,1.7946,1.8077,2.3199,D02131_L01BC53,800200000010284000004701004200000208041000020020020000c00004041010003000410080211000001000000080011000000000400800c00010000020000c001c008010aa001011c80100900000008001400c00000cb0000081000100060000000000040000e04100004000180000060186000014000000400002000000,00000000303001,020000000000000000008000200000004042040000088d00000000000000000000000640403804,00000000100200210194548d0376b143b9e16e7b1f,1,6,16,2,0,1,23,24,-9.811,-0.42100000000000004,1,,0.023198465,-,0.9119,-,0.9119,https://www.genome.jp/dbget-bin/www_bget?dr:D02131
3613,D08675, Vinblastine (INN), Vinca alkaloids and analogues,L01CA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1(c2c(c3c([nH]2)cccc3)CC[N@H+]2C[C@@H](C1)C[C@@](C2)(O)CC)(C(=O)OC)c1cc2[C@]34[C@@H]5[C@]([C@H]([C@@]([C@@H]3N(c2cc1OC)C)(C(=O)OC)O)OC(=O)C)(C=CC[N@@H+]5CC4)CC,812.99,4.3601,234.45,156.5,70,5,10,JXLYSJRDGCGARV-XQKSVPLYSA-P,C46H60N4O9++,COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CC[NH+]1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",-6.0612,-6.0517,-5.8678,-4.7359,-4.6567,-4.5523,2.0896,2.2071,2.289,2.4441,2.7936,D08675_L01CA01,202e4222807206261e4c860086830806a45080d000e05a08812500e0013404001104509bc8e08027389a20182001306001a602001a24f10f450100068082a6388e310c0265150e410080e9091a89021d40d3837004823008e8991901800870004197002900241c0352202800e1101c20100701510a15512008ce00891a420100,0500004c70f025,1f484202850000000000900000000000000000000000840000000000000000000000e600c32a05,0000000000002120838436d79fc9abe7cdffffff1f,0,16,107,4,0,10,119,127,-12.540999999999999,-5.44,11,0.0,0.001149406,+,10.051,-,10.051,https://www.genome.jp/dbget-bin/www_bget?dr:D08675
3614,D01068, Vinblastine sulfate (JP17/USP), Vinca alkaloids and analogues,L01CA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1(c2c(c3c([nH]2)cccc3)CC[N@H+]2C[C@@H](C1)C[C@@](C2)(O)CC)(C(=O)OC)c1cc2[C@]34[C@@H]5[C@]([C@H]([C@@]([C@@H]3N(c2cc1OC)C)(C(=O)OC)O)OC(=O)C)(C=CC[N@@H+]5CC4)CC,812.99,4.3601,234.45,156.5,70,5,10,JXLYSJRDGCGARV-XQKSVPLYSA-P,C46H60N4O9++,COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CC[NH+]1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",-6.0522,-6.0476,-5.8531,-4.6803,-4.6703,-4.5274,2.1363,2.2745,2.3379,2.3656,2.5031,D01068_L01CA01,202e4222807206261e4c860086830806a45080d000e05a08812500e0013404001104509bc8e08027389a20182001306001a602001a24f10f450100068082a6388e310c0265150e410080e9091a89021d40d3837004823008e8991901800870004197002900241c0352202800e1101c20100701510a15512008ce00891a420100,0500004c70f025,1f484202850000000000900000000000000000000000840000000000000000000000e600c32a05,0000000000002120838436d79fc9abe7cdffffff1f,0,16,107,4,0,10,119,127,-12.538,-5.443,11,,0.0011506069999999999,+,10.051,-,10.051,https://www.genome.jp/dbget-bin/www_bget?dr:D01068
3615,D08679, Vincristine (INN), Vinca alkaloids and analogues,L01CA02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]123[C@@H]4[C@]([C@H]([C@@]([C@@H]1N(c1c2cc(c(c1)OC)[C@@]1(c2c(c5c([nH]2)cccc5)CC[N@H+]2C[C@@H](C1)C[C@](C2)(CC)O)C(=O)OC)C=O)(C(=O)OC)O)OC(=O)C)(C=CC[N@H+]4CC3)CC,826.9739999999999,4.5226,235.03900000000002,173.57,69,5,11,OGWKCGZFUXNPDA-XQKSVPLYSA-P,C46H58N4O10++,O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3[NH+](CC2)CC=C1)CC)C1(CC2C[NH+](CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",-6.0616,-6.0458,-5.8888,-4.7152,-4.6604,-4.5144,1.886,2.0188,2.0228,2.0780000000000003,2.2593,D08679_L01CA02,202e4222807206261f4c860086830806a45080d010e05a08812500e0013404001904509bc8e08027389e3c182001306001a602001a24f10f450100068082a6388e310c0265150e410080f9091a89021d40d3837024823808e8991901800870004597002900241c0352202800e1101c30100701510a15512008de00891a420100,0500004c70f005,1f484202040000000000900012000000000000000000840000000000000000000000e600c32a05,0000000000002120838436d79fe9bbe7cdffffff1f,0,16,105,5,0,11,118,126,-13.023,-5.814,11,0.0,0.000839135,+,10.2552,-,10.2552,https://www.genome.jp/dbget-bin/www_bget?dr:D08679
3616,D02197, Vincristine sulfate (JP17/USP), Vinca alkaloids and analogues,L01CA02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]123[C@@H]4[C@]([C@H]([C@@]([C@@H]1N(c1c2cc(c(c1)OC)[C@@]1(c2c(c5c([nH]2)cccc5)CC[N@H+]2C[C@@H](C1)C[C@](C2)(CC)O)C(=O)OC)C=O)(C(=O)OC)O)OC(=O)C)(C=CC[N@H+]4CC3)CC,826.9739999999999,4.5226,235.03900000000002,173.57,69,5,11,OGWKCGZFUXNPDA-XQKSVPLYSA-P,C46H58N4O10++,O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3[NH+](CC2)CC=C1)CC)C1(CC2C[NH+](CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/p+2/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1",-6.065,-6.0513,-5.8749,-4.7186,-4.6827,-4.5185,1.9040000000000001,1.97,2.0202,2.0848,2.2729,D02197_L01CA02,202e4222807206261f4c860086830806a45080d010e05a08812500e0013404001904509bc8e08027389e3c182001306001a602001a24f10f450100068082a6388e310c0265150e410080f9091a89021d40d3837024823808e8991901800870004597002900241c0352202800e1101c30100701510a15512008de00891a420100,0500004c70f005,1f484202040000000000900012000000000000000000840000000000000000000000e600c32a05,0000000000002120838436d79fe9bbe7cdffffff1f,0,16,105,5,0,11,118,126,-12.96,-5.6579999999999995,11,,0.001288354,+,10.2552,-,10.2552,https://www.genome.jp/dbget-bin/www_bget?dr:D02197
3617,D06304, Vindesine (USAN/INN), Vinca alkaloids and analogues,L01CA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]123[C@@H]4[C@]([C@H]([C@@]([C@@H]1N(c1c2cc(c(c1)OC)[C@@]1(c2c(c5c([nH]2)cccc5)CC[N@H+]2C[C@@H](C1)C[C@](C2)(CC)O)C(=O)OC)C)(C(=O)N)O)O)(C=CC[N@@H+]4CC3)CC,755.942,3.8019,221.528,167.22,66,7,9,HHJUWIANJFBDHT-KOTLKJBCSA-P,C43H57N5O7++,COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CC[NH+]1C4C(C(C3(O)C(=O)N)O)(CC)C=CC1,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/p+2/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1",-6.0619,-6.0481,-5.8714,-4.8098,-4.7158,-4.6892,2.4521,2.6167,2.6817,2.8067,2.9134,D06304_L01CA03,202e4222807206261a4c860086830806845080d000405a08812500e00130040011045093c8c08027388e201800013060012602001a24f10e45010006808286388e210c0265150e410080e1091a89021d40d3837004823008e8991900800870004197002900241c0352200800e1101c20100701510a15512008ce00891a420100,0500006c70f025,1f684202850100000000900006000000000000000000840000000000000000000000e600c32a04,000000000000312083843edf9fe9bbe7cdffffff1f,0,16,101,3,0,7,112,120,-12.876,-5.6610000000000005,11,1.0,0.000125365,-,8.9888,-,8.9888,https://www.genome.jp/dbget-bin/www_bget?dr:D06304
3618,D01769, Vindesine sulfate (JAN/USAN), Vinca alkaloids and analogues,L01CA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]123[C@@H]4[C@]([C@H]([C@@]([C@@H]1N(c1c2cc(c(c1)OC)[C@@]1(c2c(c5c([nH]2)cccc5)CC[N@H+]2C[C@@H](C1)C[C@](C2)(CC)O)C(=O)OC)C)(C(=O)N)O)O)(C=CC[N@@H+]4CC3)CC,755.942,3.8019,221.528,167.22,66,7,9,HHJUWIANJFBDHT-KOTLKJBCSA-P,C43H57N5O7++,COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CC[NH+]1C4C(C(C3(O)C(=O)N)O)(CC)C=CC1,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/p+2/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1",-6.0789,-6.0533,-5.8766,-4.8041,-4.7054,-4.6926,2.45,2.6217,2.6765,2.7998,2.92,D01769_L01CA03,202e4222807206261a4c860086830806845080d000405a08812500e00130040011045093c8c08027388e201800013060012602001a24f10e45010006808286388e210c0265150e410080e1091a89021d40d3837004823008e8991900800870004197002900241c0352200800e1101c20100701510a15512008ce00891a420100,0500006c70f025,1f684202850100000000900006000000000000000000840000000000000000000000e600c32a04,000000000000312083843edf9fe9bbe7cdffffff1f,0,16,101,3,0,7,112,120,-12.777999999999999,-5.529,11,,0.000156,-,8.9888,-,8.9888,https://www.genome.jp/dbget-bin/www_bget?dr:D01769
3619,D08680, Vinorelbine (INN), Vinca alkaloids and analogues,L01CA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1(c2c(c3c([nH]2)cccc3)C[N@@H+]2C[C@H](C1)C=C(C2)CC)(C(=O)OC)c1cc2[C@]34[C@@H]5[C@]([C@H]([C@@]([C@@H]3N(c2cc1OC)C)(C(=O)OC)O)OC(=O)C)(C=CC[N@H+]5CC4)CC,780.948,5.1228,227.96900000000002,136.27,65,4,9,GBABOYUKABKIAF-IELIFDKJSA-P,C45H56N4O8++,CCC1=CC2C[NH+](C1)Cc1c3ccccc3[nH]c1C(C2)(C(=O)OC)c1cc2c(cc1OC)N(C1C32CC[NH+]2C3C(CC)(C=CC2)C(C1(O)C(=O)OC)OC(=O)C)C,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/p+2/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1",-6.2537,-6.0934,-6.0520000000000005,-5.8374,-5.7831,-4.7032,2.0992,2.1819,2.3235,2.4090000000000003,2.4151,D08680_L01CA04,202e42a280f206261e4c860086830806a45080d000e25a08812500e0015424001104508bc8e08027389a20182001326001a602001a20e10f450100068980a6288e310c02651506410080e9099a89021d40d3837104823009e8991801800830004297002b00641c0350202800e1101c20100701500a1d912008ce00891a420110,0500004c70f025,1f484202850000000000900000000000000000000000840000000000000000000000e600c32a05,0000000000001320838c36d79fc9abe7c5ffffff1f,0,16,100,5,0,10,113,121,-13.039000000000001,-5.002,10,1.0,0.001186303,+,9.6047,-,9.6047,https://www.genome.jp/dbget-bin/www_bget?dr:D08680
3620,D01935, Vinorelbine tartrate (USP), Vinca alkaloids and analogues,L01CA04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1(c2c(c3c([nH]2)cccc3)C[N@@H+]2C[C@@H](C1)C=C(C2)CC)(C(=O)OC)c1cc2[C@]34[C@@H]5[C@]([C@H]([C@@]([C@@H]3N(c2cc1OC)C)(C(=O)OC)O)OC(=O)C)(C=CC[N@@H+]5CC4)CC,780.948,5.1228,227.96900000000002,136.27,65,4,9,GBABOYUKABKIAF-JKVZWNDSSA-P,C45H56N4O8++,CCC1=CC2C[NH+](C1)Cc1c3ccccc3[nH]c1C(C2)(C(=O)OC)c1cc2c(cc1OC)N(C1C32CC[NH+]2C3C(CC)(C=CC2)C(C1(O)C(=O)OC)OC(=O)C)C,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/p+2/t28-,37+,38-,39-,42-,43-,44+,45+/m1/s1",-6.234,-6.069,-6.0642,-5.8787,-5.7774,-4.7038,2.0887,2.1694,2.2728,2.4299,2.43,D01935_L01CA04,202e42a280f206261e4c860086830806a45080d000e25a08812500e0015424001104508bc8e08027389a20182001326001a602001a20e10f450100068980a6288e310c02651506410080e9099a89021d40d3837104823009e8991801800830004297002b00641c0350202800e1101c20100701500a1d912008ce00891a420110,0500004c70f025,1f484202850000000000900000000000000000000000840000000000000000000000e600c32a05,0000000000001320838c36d79fc9abe7c5ffffff1f,0,16,100,5,0,10,113,121,-12.892999999999999,-5.654,10,-1.0,0.000540156,+,9.6047,-,9.6047,https://www.genome.jp/dbget-bin/www_bget?dr:D01935
3621,D09032, Vinflunine ditartrate (USAN), Vinca alkaloids and analogues,L01CA05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]123[C@@H]4[C@]([C@H]([C@@]([C@@H]1N(c1c2cc(c(c1)OC)[C@@]1(c2c(c5c([nH]2)cccc5)C[N@H+]2C[C@@H](C1)C[C@H](C2)C(C)(F)F)C(=O)OC)C)(C(=O)OC)O)OC(=O)C)(C=CC[N@H+]4CC3)CC,818.945,5.4479,228.583,136.27,65,4,9,NMDYYWFGPIMTKO-HBVLKOHWSA-P,C45H56F2N4O8++,COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](Cc5c1[nH]c1c5cccc1)CC(C2)C(F)(F)C)C(=O)OC)CC[NH+]1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,"InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/p+2/t26-,27-,36+,37-,38-,42-,43-,44+,45+/m1/s1",-6.1553,-6.0687,-6.0434,-5.8806,-4.7118,-4.6989,2.0244,2.0985,2.1590000000000003,2.2817,2.4222,D09032_L01CA05,202e42a280f206261e4c860286830806a45080d060e05a08812500e0015404001104508bc8e08027389a20182001326001a602001a20e10f450100068880ae288e350c02651506410080e9099a89021d40d3837004823009e8991801800830004097002b00641c0350202800e11c1c20100701500a1d912008ce00891a420110,0500004c70f025,1f494202850000000000900000000000000000000000840000000000000000000000e600c32a05,0000000000021120838436d79fcdabe7e5ffffff1f,2,16,103,4,0,10,115,123,-13.07,-5.3839999999999995,11,0.0,0.00037192400000000004,+,10.4291,-,10.4291,https://www.genome.jp/dbget-bin/www_bget?dr:D09032
3622,D00125, Etoposide (JP17/USP/INN), Podophyllotoxin derivatives,L01CB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(cc3c(c1)[C@H]([C@@H]1[C@@H]([C@@H]3c3cc(c(c(c3)OC)O)OC)C(=O)OC1)O[C@H]1[C@@H]([C@H]([C@H]3[C@H](O1)CO[C@H](O3)C)O)O)OCO2,588.557,1.3386,139.108,160.83,45,3,13,VJJPUSNTGOMMGY-MRVIYFEKSA-N,C29H32O13,COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",-4.4459,-3.1692,-3.1429,-3.1385,-3.1372,-2.9245,1.6603,1.8203,1.8433,1.9158,1.9353,D00125_L01CB01,000441020000a0400a000200830200032000006400005a00012200e0000c00401004420840400005200a001820071400010a020008a05811040100020002820008902a02250008010000a12202c00004009800400000104c68080801002920004100000d003c94430244004050102888000381000a0100a00800004b41000500,0400002c72b005,05280200000180400000a000000000000000000000010000000000000000000000004637402805,000000080000202180000495121189640cdfb3d31e,0,12,67,1,0,5,74,80,-9.103,0.135,10,-1.0,0.362508386,+,6.9303,-,6.9303,https://www.genome.jp/dbget-bin/www_bget?dr:D00125
3623,D04107, Etoposide phosphate (USAN), Podophyllotoxin derivatives,L01CB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(cc3c(c1)[C@H]([C@@H]1[C@@H]([C@@H]3c3cc(c(c(c3)OC)OP(=O)(O)O)OC)C(=O)OC1)O[C@H]1[C@@H]([C@H]([C@H]3[C@H](O1)CO[C@H](O3)C)O)O)OCO2,668.5360000000001,1.1045,149.757,217.17,47,4,16,LIQODXNTTZAGID-OCBXBXKTSA-N,C29H33O16P,COc1cc(cc(c1OP(=O)(O)O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,"InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1",-10.4825,-10.4691,-10.219,-4.843999999999999,-4.3561,-3.1812,1.9974,2.9893,3.0321,3.6004,5.1568,D04107_L01CB01,008453220000a0401a000200830200032000036400005a02012200e0404c00441004420840400005200a001c20071400010a020008a05811040100022002820008902a02250008010000a3220ac00004009840400000104c68090801012920084100000d007c96430244004054102888000381000a0100a00800004b41002500,0400002c70b005,05280200000180400000a000000000000000000000000000000000000010200000004637402805,0000001800842021900004953293896c8edfbbd31e,0,12,71,2,0,7,79,85,0.134,3.57,10,,3.09609e-10,+,5.7657,-,5.7657,https://www.genome.jp/dbget-bin/www_bget?dr:D04107
3624,D02698, Teniposide (USAN/INN), Podophyllotoxin derivatives,L01CB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,O([C@@H]1c2cc3c(cc2[C@H]([C@@H]2[C@@H]1COC2=O)c1cc(c(c(c1)OC)O)OC)OCO3)[C@H]1[C@@H]([C@@H](O)[C@H]2[C@H](O1)CO[C@@H](O2)c1sccc1)O,656.654,2.7529,156.665,189.07,45,3,14,NRUKOCRGYNPUPR-QOMJOESBSA-N,C32H32O13S,COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)c1cccs1,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31-,32-/m0/s1",-4.3954,-4.1638,-4.0901,-3.1675,-3.0812,-3.0395,1.6235,1.7657,1.8612,1.8671,1.8719999999999999,D02698_L01CB02,0004c1020000a0400a08020083020003240000e400005a00012200e4000c00421004420840401005a00a005820271400110a820008a058110c0100020002820008902a06252008010000a12212c00004809800400002104c680808a1002920004100000d803c94430244004050102888000381200a0100a00800004f41000500,0400002c72b005,04280200000180400000a00000000000000000000001c000000000000000000000004637402805,000000080800202180008595121181640ccfb3d31e,0,17,67,1,0,6,78,85,-9.172,-0.121,10,0.0,0.844619751,+,6.6046,-,6.6046,https://www.genome.jp/dbget-bin/www_bget?dr:D02698
3625,D00491, Paclitaxel (JAN/USP/INN), Taxanes,L01CD01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]12[C@]3([C@H](OC3)C[C@@H]([C@]2(C(=O)[C@@H](C2=C([C@H](C[C@@]([C@H]1OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C)OC(=O)C)C)O)OC(=O)C,853.9060000000001,4.1266,218.959,221.29,66,4,15,RCINICONZNJXQF-YUKVPPSFSA-N,C47H51NO14,CC(=O)OC1C(=O)C2(C)C(O)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38+,40-,45+,46-,47+/m0/s1",-4.4672,-4.4542,-4.4273,-4.345,-4.1467,-3.8510000000000004,1.9275,1.9921,2.1142,2.13,2.5387,D00491_L01CD01,10068002000006e40b000600000300002000008000404800003400c0011c20001c004008c0800007208e121820010080012200001820c033210100820020a2180890080204040400000089022a88021c01d000400002304848081801402900004214002a4000000200480000d000380000070180080d90820858808148000500,1400006c30b005,1fe8000000000100000090000a000000000100000000000000000000000000000000c640402805,8004000200002201820a004995b918648d5df3fb1f,0,18,94,7,0,15,113,119,-9.721,-0.33299999999999996,11,1.0,0.961175263,+,10.9072,-,10.9072,https://www.genome.jp/dbget-bin/www_bget?dr:D00491
3626,D07866, Docetaxel (JAN/INN), Taxanes,L01CD02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]12[C@]3([C@H](OC3)C[C@@H]([C@]2(C(=O)[C@@H](C2=C([C@H](C[C@@]([C@H]1OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C)O)C)O)OC(=O)C,807.8789999999999,3.6505,205.253,224.45,68,5,15,ZDZOTLJHXYCWBA-VCVYQWHSSA-N,C43H53NO14,CC(=O)OC12COC1CC(C1(C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(C(c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(C1=O)O)C)C)O,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",-6.0221,-5.1158,-4.4708,-4.3988,-4.3783,-3.8125,2.1029,2.1154,2.1366,2.1512,2.2263,D07866_L01CD02,10068002000006e40b00060000030000200020800040480002340080005c20001c004008c0800007308f121820010080012000011828c033210108020000a21808901a0204040400000089022888021c01d000400002304848081801402b00004214002a4000000200c80200d000380000070180080d90820858c08140000500,1400006c30b005,1fe80000000001000000900000000000004100010000000000000000000000000000c640402805,8004400200002201820a004195bb18648d5df3fb1f,0,12,98,6,0,14,111,116,-9.573,-0.28,11,1.0,0.776377678,+,10.1736,-,10.1736,https://www.genome.jp/dbget-bin/www_bget?dr:D07866
3627,D02165, Docetaxel (USAN), Taxanes,L01CD02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]12[C@]3([C@H](OC3)C[C@@H]([C@]2(C(=O)[C@@H](C2=C([C@H](C[C@@]([C@H]1OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C)O)C)O)OC(=O)C,807.8789999999999,3.6505,205.253,224.45,68,5,15,ZDZOTLJHXYCWBA-VCVYQWHSSA-N,C43H53NO14,CC(=O)OC12COC1CC(C1(C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(C(c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(C1=O)O)C)C)O,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",-6.1533,-5.1048,-4.4179,-4.4108,-4.2485,-3.8179,2.1015,2.12,2.1432,2.2885,2.537,D02165_L01CD02,10068002000006e40b00060000030000200020800040480002340080005c20001c004008c0800007308f121820010080012000011828c033210108020000a21808901a0204040400000089022888021c01d000400002304848081801402b00004214002a4000000200c80200d000380000070180080d90820858c08140000500,1400006c30b005,1fe80000000001000000900000000000004100010000000000000000000000000000c640402805,8004400200002201820a004195bb18648d5df3fb1f,0,12,98,6,0,14,111,116,-9.576,-0.284,11,,0.7770333890000001,+,10.1736,-,10.1736,https://www.genome.jp/dbget-bin/www_bget?dr:D02165
3628,D05333, Paclitaxel poliglumex (USAN/INN), Taxanes,L01CD03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]12[C@]3([C@H](OC3)C[C@@H]([C@]2(C(=O)[C@@H](C2=C([C@H](C[C@@]([C@H]1OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)OC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)O)C(=O)N[C@H](C(=O)O)CCC(=O)O)C)OC(=O)C)C)O)OC(=O)C,1242.26,2.6338,306.471,425.1,96,9,26,YOOHCQXLOOICCG-UDOIWITESA-O,C62H73N4O23+,OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)CCC(=O)OC(C(c1ccccc1)NC(=O)c1ccccc1)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(C3(C(=O)C(C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)[NH3+],"InChI=1S/C62H72N4O23/c1-31-40(29-62(83)52(88-57(81)36-20-14-9-15-21-36)50-60(6,41(69)28-42-61(50,30-84-42)89-33(3)68)51(75)48(85-32(2)67)46(31)59(62,4)5)86-58(82)49(47(34-16-10-7-11-17-34)66-53(76)35-18-12-8-13-19-35)87-45(74)27-24-38(64-54(77)37(63)22-25-43(70)71)55(78)65-39(56(79)80)23-26-44(72)73/h7-21,37-42,47-50,52,69,83H,22-30,63H2,1-6H3,(H,64,77)(H,65,78)(H,66,76)(H,70,71)(H,72,73)(H,79,80)/p+1/t37-,38-,39-,40-,41-,42+,47-,48+,49+,50+,52-,60+,61-,62+/m0/s1",-5.3329,-5.3326,-5.3177,-4.9133,-4.7611,-4.611000000000001,2.5306,2.5486,2.5826,2.6019,2.7045,D05333_L01CD03,102e8002004006e40b00060000030008210000900042c800003400c0011c20101c00500ac3800017208e163820010180012200001820c037210100820020a6180890080a0c141c80012089033a88021e01f0014000023048c8081a01402900004a14002a4000000200480000d000380000070184080f90820878808148000700,1500006c30f007,1fe8c00004000100000098000a0000c0010100000000000000000000000000000000c640c02a05,8004000200002301824a004f95f938648d7df7ff1f,0,18,137,13,0,33,162,168,-1.912,1.74,14,1.0,,+,26.6116,-,26.6116,https://www.genome.jp/dbget-bin/www_bget?dr:D05333
3629,D09755, Cabazitaxel (USAN/INN), Taxanes,L01CD04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]12[C@]3([C@H](OC3)C[C@@H]([C@]2(C(=O)[C@@H](C2=C([C@H](C[C@@]([C@H]1OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C)OC)C)OC)OC(=O)C,835.932,4.9587,214.71400000000003,202.45,72,3,15,BMQGVNUXMIRLCK-OAGWZNDDSA-N,C45H57NO14,COC1C(=O)C2(C)C(OC)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",-5.9399,-5.0746,-4.4379,-4.4099,-4.2095,-3.8132,2.0037,2.0069,2.0641,2.1086,2.4752,D09755_L01CD04,10068002000006e40b00060000030000200020800040480002340080005c20001c004008c0800007308f121820010080012000011828c033210108820000a21808901a0204040400000089022888021c01d000400002304848081801402b00004214002a4000000200c82200d000380000070180080d90820858c08140000500,1400006c30b005,1fe80000000001000000900000000000004100010000000000000000000000000000c640402805,8004400200002201820a005195bb18648d5df3fb1f,0,12,104,6,0,16,117,122,-8.946,-0.23199999999999998,11,0.0,0.8584967259999999,+,10.6371,-,10.6371,https://www.genome.jp/dbget-bin/www_bget?dr:D09755
3630,D06199, Trabectedin (JAN/USAN/INN), Other plant alkaloids and natural products,L01CX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]12(c3c(CC[NH2+]1)cc(c(c3)OC)O)C(=O)OC[C@@H]1[N@H+]3[C@H]([C@@H]4Cc5c([C@@H]([C@@H]3[C@@H](c3c1c1c(c(c3OC(=O)C)C)OCO1)SC2)[N@H+]4C)c(c(c(c5)C)OC)O)O,764.8610000000001,4.2604,210.452,201.0,58,6,12,PKVRCIRHQMSYJX-RPLBJREZSA-Q,C39H46N3O11S+++,COc1cc2c(cc1O)CC[NH2+]C12CSC2c3c(OC(=O)C)c(C)c4c(c3C(COC1=O)[NH+]1C2C2c3c(cc(c(c3O)OC)C)CC([NH+]2C)C1O)OCO4,"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/p+3/t22-,23-,29-,30+,36+,37-,39-/m0/s1",-7.235,-5.9929,-5.9848,-5.8895,-5.8141,-5.7841,2.7971,2.9494,3.534,4.1179,4.2574,D06199_L01CX01,88260113006024a43ac886000013050d110001b400483a50010100c000060470148444976547001300aaa03820030760011b52100080480424a10002080646bc08a43e0a29141dd18020246086db8183d0b9844000003048c1585f03800be0044196802200100462028b03c0e11008106006119c2a275322089e00477b000004,0500000c72f105,03004303140080400000b00000000000000000000001000000000000000000000000e600c02a05,000000080804310182449fdf9bf9b9e785fffffb1f,0,18,88,2,0,4,100,108,-15.97,-9.722999999999999,9,1.0,4.3981900000000006e-07,+,8.0578,-,8.0578,https://www.genome.jp/dbget-bin/www_bget?dr:D06199
3631,D00214, Dactinomycin (USP), Actinomycines,L01DA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(oc3c(n1)c(ccc3C)C(=O)N[C@H]1C(=O)N[C@H](C(=O)N3[C@H](CCC3)C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]1C)C(C)C)C)C)C(C)C)c(c(=O)c(c2C(=O)N[C@@H]1C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(=O)N(CC(=O)N([C@@H](C(=O)O[C@H]1C)C(C)C)C)C)C(C)C)N)C,1255.42,2.3736,358.751,359.98,113,5,28,RJURFGZVJUQBHK-RFBMYKNCSA-N,C62H86N12O16,O=C1NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C(C(=O)OC(C1NC(=O)c1c2nc3c(ccc(c3oc2c(c(=O)c1N)C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C)C)C(C)C)C,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34+,36-,37+,42+,43-,44-,45+,48+,49-/m1/s1",-5.0628,-5.0115,-4.6775,-4.376,-4.3269,-4.3258,2.6005,2.6008,2.6347,2.6363,2.7679,D00214_L01DA01,602200cc60480ce105048645042300085100809874c2c00c804808c00104043a1c0158cea3508073248e1638a04426c1010a64400002e00602280202004026100c560c42e81412e08ba86800928c01d700b0014045802145d00803d0004142020812886301c8201030c93180a7120400100719d4080318001178a0014a804118,0400000030b025,07004008000000000000a0002a000040400300000000b100000000000000000000004640403804,000000000000300101c63cdd1b69bdc7ddfbfffb1f,0,15,154,13,0,10,176,182,-8.334,-1.848,10,,0.9885067940000001,+,32.7661,-,32.7661,https://www.genome.jp/dbget-bin/www_bget?dr:D00214
3632,D03899, Doxorubicin (USAN/INN), Anthracyclines and related substances,L01DB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])(C(=O)CO)O)O)OC,544.5269999999999,-0.7155,133.92,207.69,41,6,11,AOJJSUZBOXZQNB-TZSSRYMLSA-O,C27H30NO11+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1",-5.3963,-5.3819,-5.3177,-4.1385,-3.1583,-3.1368,1.7391,1.7729,1.8988,1.9175,1.9521,D03899_L01DB01,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500007c72f001,0378c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000031018200025793d901e49dcdf3ff1f,0,12,58,3,0,5,69,73,-10.845999999999998,-4.154,6,2.0,0.00582885,-,3.0664,-,3.0664,https://www.genome.jp/dbget-bin/www_bget?dr:D03899
3633,D01275, Doxorubicin hydrochloride (JP17/USP), Anthracyclines and related substances,L01DB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])(C(=O)CO)O)O)OC,544.5269999999999,-0.7155,133.92,207.69,41,6,11,AOJJSUZBOXZQNB-TZSSRYMLSA-O,C27H30NO11+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1",-5.3902,-5.3836,-5.3185,-4.0924,-3.1772,-3.1645,1.7619,1.7682,1.8704,2.1399,2.1938,D01275_L01DB01,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500007c72f001,0378c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000031018200025793d901e49dcdf3ff1f,0,12,58,3,0,5,69,73,-10.845999999999998,-4.154,6,,0.00582885,-,3.0664,-,3.0664,https://www.genome.jp/dbget-bin/www_bget?dr:D01275
3634,D07776, Daunorubicin (INN), Anthracyclines and related substances,L01DB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c([C@H](C[C@@](C2)(C(=O)C)O)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)[NH3+])c(c2c(c1O)C(=O)c1c(C2=O)c(ccc1)OC)O,528.528,0.3121,132.75799999999998,187.46,40,5,10,STQGQHZAVUOBTE-VGBVRHCVSA-O,C27H30NO10+,COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC([NH3+])C(C(O1)C)O)CC(C2)(O)C(=O)C,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1",-5.3976,-5.3946,-5.3028,-4.1457,-3.1513,-3.1477,1.7508,1.7698,1.8714,1.9676,2.2263,D07776_L01DB02,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500006c72f001,0368c200040081400000000000000000c001000000010000000000000000000000004672c03a05,00000000000021018200005793c909e49cddf3fa1f,0,12,57,3,0,4,68,72,-10.763,-4.3180000000000005,6,1.0,0.006027050999999999,+,2.9713,-,2.9713,https://www.genome.jp/dbget-bin/www_bget?dr:D07776
3635,D01264, Daunorubicin hydrochloride (JP17/USP), Anthracyclines and related substances,L01DB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])(C(=O)C)O)O)OC,528.528,0.3121,132.75799999999998,187.46,40,5,10,STQGQHZAVUOBTE-VGBVRHCVSA-O,C27H30NO10+,COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC([NH3+])C(C(O1)C)O)CC(C2)(O)C(=O)C,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1",-5.3913,-5.3899,-5.3167,-4.1054,-3.1477,-3.1377,1.7424,1.7482,1.7622,1.8196,1.9109,D01264_L01DB02,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500006c72f001,0368c200040081400000000000000000c001000000010000000000000000000000004672c03a05,00000000000021018200005793c909e49cddf3fa1f,0,12,57,3,0,4,68,72,-10.790999999999999,-4.136,6,1.0,0.008815979,+,2.9713,-,2.9713,https://www.genome.jp/dbget-bin/www_bget?dr:D01264
3636,D07901, Epirubicin (INN), Anthracyclines and related substances,L01DB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)[NH3+])(C(=O)CO)O)O)OC,544.5269999999999,-0.7155,133.92,207.69,41,6,11,AOJJSUZBOXZQNB-VTZDEGQISA-O,C27H30NO11+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1",-5.3845,-5.3831,-5.3388,-4.1316,-3.1762,-3.1754,1.7534,1.7599,1.8168,1.8961,2.1107,D07901_L01DB03,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500007c72f001,0378c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000031018200025793d901e49dcdf3ff1f,0,12,58,3,0,5,69,73,-10.838,-4.154,6,0.0,0.0060136,-,3.0664,-,3.0664,https://www.genome.jp/dbget-bin/www_bget?dr:D07901
3637,D02214, Epirubicin hydrochloride (JP17/USAN), Anthracyclines and related substances,L01DB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)[NH3+])(C(=O)CO)O)O)OC,544.5269999999999,-0.7155,133.92,207.69,41,6,11,AOJJSUZBOXZQNB-VTZDEGQISA-O,C27H30NO11+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1",-5.385,-5.3768,-5.3493,-4.1153,-3.1804,-3.1673,1.7469999999999999,1.7668,1.8391,1.8780000000000001,2.5772,D02214_L01DB03,000440020400e0c202480700830300022400806400080800012200e0000c00001404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a214004010000a9220280000440db00400000102ce80a080100092000010a0009403c101702c4024051102888000705400a0500200808004b40000500,1500007c72f001,0378c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000031018200025793d901e49dcdf3ff1f,0,12,58,3,0,5,69,73,-10.842,-4.154,6,1.0,0.006008894,-,3.0664,-,3.0664,https://www.genome.jp/dbget-bin/www_bget?dr:D02214
3638,D02756, Aclarubicin (USAN/INN), Anthracyclines and related substances,L01DB04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(CCC(=O)[C@@H](O1)C)O[C@@H]1[C@@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@H](O[C@@H]2c3c(cc4C(=O)c5cccc(c5C(=O)c4c3O)O)[C@H]([C@@](O)(CC)C2)C(=O)OC)O[C@H]1C)[NH+](C)C)C,812.8760000000001,1.7406,204.763,218.25,69,5,15,USZYSDMBJDPRIF-SVEJIMAYSA-O,C42H54NO15+,COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)[NH+](C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/p+1/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1",-6.0254,-4.6598,-4.603,-4.5916,-4.496,-3.1678,1.8113,1.8935,1.8997,1.9094,1.9159,D02756_L01DB04,000600020420e0c202480700830200022440817400000800012300e00004001014044208e8400017600a02b8201510000102024000a0d01500010082400aa20808b0282a281004400000a9022a80001540da00400000302ce01a080100292000410a0009403c101202c40240d1002888000785c0020550210808004340000500,1500006c32f005,07684002040081400000900000000000c001000000010000000000000000000000004677c03a05,00000000000001018202305593c9abe69cddfffe1f,0,12,102,4,0,10,112,118,-11.227,-3.9760000000000004,13,,0.035247392999999995,+,8.0686,-,8.0686,https://www.genome.jp/dbget-bin/www_bget?dr:D02756
3639,D01911, Aclarubicin hydrochloride (JP17), Anthracyclines and related substances,L01DB04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(CCC(=O)[C@@H](O1)C)O[C@@H]1[C@@H](O[C@H](C[C@@H]1O)O[C@H]1[C@H](C[C@H](O[C@@H]2c3c(cc4C(=O)c5cccc(c5C(=O)c4c3O)O)[C@H]([C@@](O)(CC)C2)C(=O)OC)O[C@H]1C)[NH+](C)C)C,812.8760000000001,1.7406,204.763,218.25,69,5,15,USZYSDMBJDPRIF-SVEJIMAYSA-O,C42H54NO15+,COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)[NH+](C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/p+1/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1",-6.0392,-4.6206,-4.6155,-4.5403,-4.4837,-3.2017,1.8402,1.8775,1.9041,1.9061,1.9143,D01911_L01DB04,000600020420e0c202480700830200022440817400000800012300e00004001014044208e8400017600a02b8201510000102024000a0d01500010082400aa20808b0282a281004400000a9022a80001540da00400000302ce01a080100292000410a0009403c101202c40240d1002888000785c0020550210808004340000500,1500006c32f005,07684002040081400000900000000000c001000000010000000000000000000000004677c03a05,00000000000001018202305593c9abe69cddfffe1f,0,12,102,4,0,10,112,118,-11.249,-3.968,13,1.0,0.0358686,+,8.0686,-,8.0686,https://www.genome.jp/dbget-bin/www_bget?dr:D01911
3640,D06386, Zorubicin hydrochloride (USAN), Anthracyclines and related substances,L01DB05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])O[C@@H]1c2c(c(c3C(=O)c4cccc(c4C(=O)c3c2O)OC)O)C[C@](C1)(/C(=N/NC(=O)c1ccccc1)/C)O,646.664,1.9199,168.76,211.85,48,6,12,FBTUMDXHSRTGRV-ALTNURHMSA-O,C34H36N3O10+,COc1cccc2c1C(=O)c1c(O)c3C(OC4OC(C)C(C(C4)[NH3+])O)CC(Cc3c(c1C2=O)O)(O)C(=NNC(=O)c1ccccc1)C,"InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/p+1/b36-16+/t15-,20-,22-,23-,28+,34-/m0/s1",-5.3906,-5.3875,-5.34,-4.1288,-3.5980000000000003,-3.1542,1.7607,1.7719,1.8787,1.9883,2.1117,D06386_L01DB05,800400020400e4c2024ccf00830300022400806400082848812240e0000400001404420a68400047608602b820151800010a024020a4d81100100002000aa00a0cb0282a214004010800a92202880000548b00401000112ce90a080100092008037a0009413c109202c4024051102888000f05400a0500200808204b45008000,1500006c72f001,0368c200040081400000800000000000c001000000010000000000000000000000004672c03a05,00000000000039019220007f93e959ec9cfdf3fa1f,0,18,66,4,0,7,83,88,-10.690999999999999,-3.9789999999999996,6,5.0,0.002647618,+,4.3532,-,4.3532,https://www.genome.jp/dbget-bin/www_bget?dr:D06386
3641,D08062, Idarubicin (INN), Anthracyclines and related substances,L01DB06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])(C(=O)C)O)O,498.50199999999995,0.3035,126.266,178.23,37,5,9,XDXDZDZNSLXDNA-TZNDIEGXSA-O,C26H28NO9+,OC1C([NH3+])CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/p+1/t10-,15-,16-,17-,21+,26-/m0/s1",-5.3881,-5.3852,-5.3341,-4.1086,-3.1763,-3.1694,1.7457,1.7678,1.8015,1.8842,2.0437,D08062_L01DB06,000440020400e0c202480700830200022400806400000800012200e0000c00001404420848400007600202b8201510000102024008a0d01100010002000aa00808b0282a200004000000a9020280000440db00400000102ce80a080100092000010a0009403c101702c402405100288800070540020500200808004b40000500,1500006c32f001,0368c000040081400000000000000000c001000000010000000000000000000000004672c03a05,00000000000021018200004793c909e49ccdf3fa1f,0,12,53,3,0,3,64,68,-10.925,-4.178,6,2.0,0.007026831,+,2.6538,-,2.6538,https://www.genome.jp/dbget-bin/www_bget?dr:D08062
3642,D01747, Idarubicin hydrochloride (JP17/USP), Anthracyclines and related substances,L01DB06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[NH3+])(C(=O)C)O)O,498.50199999999995,0.3035,126.266,178.23,37,5,9,XDXDZDZNSLXDNA-TZNDIEGXSA-O,C26H28NO9+,OC1C([NH3+])CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/p+1/t10-,15-,16-,17-,21+,26-/m0/s1",-5.3885,-5.3843,-5.3329,-4.1084,-3.1786,-3.1725,1.7454,1.7683,1.8122,1.8876,2.0832,D01747_L01DB06,000440020400e0c202480700830200022400806400000800012200e0000c00001404420848400007600202b8201510000102024008a0d01100010002000aa00808b0282a200004000000a9020280000440db00400000102ce80a080100092000010a0009403c101702c402405100288800070540020500200808004b40000500,1500006c32f001,0368c000040081400000000000000000c001000000010000000000000000000000004672c03a05,00000000000021018200004793c909e49ccdf3fa1f,0,12,53,3,0,3,64,68,-10.925999999999998,-4.178999999999999,6,,0.007022039,+,2.6538,-,2.6538,https://www.genome.jp/dbget-bin/www_bget?dr:D01747
3643,D08224, Mitoxantrone (INN), Anthracyclines and related substances,L01DB07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1O)C(=O)c1c(C2=O)c(ccc1NCC[NH2+]CCO)NCC[NH2+]CCO)O,446.49699999999996,-2.0456,121.691,172.34,38,8,8,KKZJGLLVHKMTCM-UHFFFAOYSA-P,C22H30N4O6++,OCC[NH2+]CCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCC[NH2+]CCO,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2/p+2",-5.7212,-5.7164,-5.6726,-5.667000000000001,-4.8654,-4.8448,2.7019,2.7168,2.9054,3.1502,3.7481,D08224_L01DB07,0006012000000082020006008080482a8010004000000800000000a0000004001600420218400022400206280000104400020200000010080100000200802410082008304000120000202000028000000080004004002008500a08000000c000010200014004001240800b00a000000000060104200100600818004202400018,1500001c02f021,00184081040001000000000000000000c003000000010000000000000000000000004240c03200,000000000000210000402a45995121c0ddeec77f1f,0,12,50,2,0,12,62,64,-12.914000000000001,-6.279,0,0.0,1.81484e-05,-,1.4106,-,1.4106,https://www.genome.jp/dbget-bin/www_bget?dr:D08224
3644,D02166, Mitoxantrone hydrochloride (JAN/USP), Anthracyclines and related substances,L01DB07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1O)C(=O)c1c(C2=O)c(ccc1NCC[NH2+]CCO)NCC[NH2+]CCO)O,446.49699999999996,-2.0456,121.691,172.34,38,8,8,KKZJGLLVHKMTCM-UHFFFAOYSA-P,C22H30N4O6++,OCC[NH2+]CCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCC[NH2+]CCO,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2/p+2",-5.7138,-5.6885,-5.6762,-5.6655,-4.8441,-4.8123,2.6022,2.6765,3.1297,3.2104,3.7582,D02166_L01DB07,0006012000000082020006008080482a8010004000000800000000a0000004001600420218400022400206280000104400020200000010080100000200802410082008304000120000202000028000000080004004002008500a08000000c000010200014004001240800b00a000000000060104200100600818004202400018,1500001c02f021,00184081040001000000000000000000c003000000010000000000000000000000004240c03200,000000000000210000402a45995121c0ddeec77f1f,0,12,50,2,0,12,62,64,-12.917,-6.2829999999999995,0,2.0,1.4532e-05,-,1.4106,-,1.4106,https://www.genome.jp/dbget-bin/www_bget?dr:D02166
3645,D01885, Pirarubicin (JP17/INN), Anthracyclines and related substances,L01DB08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(OCCCC1)O[C@H]1[C@H](C[C@H](O[C@@H]2c3c(c4C(=O)c5c(cccc5C(=O)c4c(c3C[C@](C2)(C(=O)CO)O)O)OC)O)O[C@H]1C)[NH3+],628.644,0.8354,156.849,205.92,50,5,12,KMSKQZKKOZQFFG-HSUXVGOQSA-O,C32H38NO12+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)OC2CCCCO2)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/p+1/t14-,17-,19-,21-,22-,31+,32-/m0/s1",-5.3896,-5.3877,-5.3452,-4.1768,-3.1697,-3.1589,1.9198,1.9537,1.9969,2.0392,2.1365,D01885_L01DB08,000440020400e0c202480700830300022400806400080800012200e0000c00101404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a215004010000a9220280000440db00400000102ce80a080100292000410a0009403c101702c4024051102888000785c00a0500200808004b40000500,1500005c72f001,0358c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000011018200025793d9a1e49dcff7ff1f,0,12,73,3,0,7,83,88,-10.807,-3.782,7,,0.008204244,+,4.3342,-,4.3342,https://www.genome.jp/dbget-bin/www_bget?dr:D01885
3646,D08386, Pirarubicin hydrochloride, Anthracyclines and related substances,L01DB08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(OCCCC1)O[C@H]1[C@H](C[C@H](O[C@@H]2c3c(c4C(=O)c5c(cccc5C(=O)c4c(c3C[C@](C2)(C(=O)CO)O)O)OC)O)O[C@H]1C)[NH3+],628.644,0.8354,156.849,205.92,50,5,12,KMSKQZKKOZQFFG-HSUXVGOQSA-O,C32H38NO12+,OCC(=O)C1(O)CC(OC2CC([NH3+])C(C(O2)C)OC2CCCCO2)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/p+1/t14-,17-,19-,21-,22-,31+,32-/m0/s1",-5.3855,-5.3847,-5.35,-4.1530000000000005,-3.1839999999999997,-3.168,1.7697,1.9434,1.9454,1.9616,2.011,D08386_L01DB08,000440020400e0c202480700830300022400806400080800012200e0000c00101404420a68400007600202b8201510000102024008a0d81100010002000aa00808b0282a215004010000a9220280000440db00400000102ce80a080100292000410a0009403c101702c4024051102888000785c00a0500200808004b40000500,1500005c72f001,0358c200040081400000000000000000c001000000010000000000000000000000004672c03a04,00000000000011018200025793d9a1e49dcff7ff1f,0,12,73,3,0,7,83,88,-10.798,-3.783,7,1.0,0.007918241,+,4.3342,-,4.3342,https://www.genome.jp/dbget-bin/www_bget?dr:D08386
3647,D02697, Valrubicin (USP/INN), Anthracyclines and related substances,L01DB09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)NC(=O)C(F)(F)F)(C(=O)COC(=O)CCCC)O)O)OC,723.6439999999999,2.8531,166.919,215.22,50,5,14,ZOCKGBMQLCSHFP-PIXAVGEUSA-N,C34H36F3NO13,CCCCC(=O)OCC(=O)C1(O)CC(OC2CC(NC(=O)C(F)(F)F)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22+,27+,33-/m0/s1",-4.5286,-4.4718,-4.2986,-3.8868,-3.8847,-3.8796,2.006,2.0851,2.1643,2.4438,2.6283,D02697_L01DB09,000640020400e0c20b48070083030002240080f400080800012200e0010c00001c04620ae8400007600e16b8201510000502024008a0d81100010082000aa21808b0282a214004010000e9220280000440db00400000302ce80a088100092000010a0029403c101742c50240d1102888000705400a0510200858004b40000500,1400006c72b005,0369020000008140000090000a000000c001000000010000000000000000000000004672603805,00000000000220018200005f93ff3fe4bdddf7ff1f,3,12,74,5,0,13,87,91,-9.128,-1.3419999999999999,6,,0.7780984040000001,-,6.0566,-,6.0566,https://www.genome.jp/dbget-bin/www_bget?dr:D02697
3648,D08854, Amrubicin (USAN/INN), Anthracyclines and related substances,L01DB10,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H](CO1)O)O)(C(=O)C)[NH3+])O,484.475,-0.085,121.459,178.23,35,5,9,VJZITPJGSQKZMX-XDPRQOKASA-O,C25H26NO9+,OC1COC(CC1O)OC1CC([NH3+])(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/p+1/t14-,15+,16-,17-,25-/m0/s1",-5.3645,-5.3511,-5.3342,-4.5159,-3.1739,-3.1137,1.9005,1.9253,2.3761,2.4846,2.6394,D08854_L01DB10,000440020400e0c20ac00600830200062000806400000800012200e0000c00001404428908400005600202b8200d10000102024008a0d01100010002000aa00008b0282a200000000000290202800004c0ba80400000102ce80a080100092000010a0009402c101702c402c0711028880007054002010020080a004b40000500,1500002c32f001,0328c000040181400000000000000000c001000000010000000000000000000000004677c03a05,00000000000021018200004793d109e49dcde3fb1f,0,12,50,3,0,3,61,65,-12.118,-4.522,5,5.0,0.0049928970000000005,+,2.5365,-,2.5365,https://www.genome.jp/dbget-bin/www_bget?dr:D08854
3649,D07100, Amrubicin hydrochloride (JAN/USAN), Anthracyclines and related substances,L01DB10,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)C[C@](C[C@@H]2O[C@H]1C[C@@H]([C@@H](CO1)O)O)(C(=O)C)[NH3+])O,484.475,-0.085,121.459,178.23,35,5,9,VJZITPJGSQKZMX-XDPRQOKASA-O,C25H26NO9+,OC1COC(CC1O)OC1CC([NH3+])(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/p+1/t14-,15+,16-,17-,25-/m0/s1",-5.3842,-5.3636,-5.3577,-4.55,-3.1832,-3.1272,1.7748,1.9344,2.3575,2.5628,2.6752,D07100_L01DB10,000440020400e0c20ac00600830200062000806400000800012200e0000c00001404428908400005600202b8200d10000102024008a0d01100010002000aa00008b0282a200000000000290202800004c0ba80400000102ce80a080100092000010a0009402c101702c402c0711028880007054002010020080a004b40000500,1500002c32f001,0328c000040181400000000000000000c001000000010000000000000000000000004677c03a05,00000000000021018200004793d109e49dcde3fb1f,0,12,50,3,0,3,61,65,-12.117,-4.523,5,0.0,0.004997879,+,2.5365,-,2.5365,https://www.genome.jp/dbget-bin/www_bget?dr:D07100
3650,D05522, Pixantrone (USAN/INN), Anthracyclines and related substances,L01DB11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,n1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1NCC[NH3+])NCC[NH3+],327.381,-0.6894,93.6996,126.37,26,4,5,PEZPMAYDXJQYRV-UHFFFAOYSA-P,C17H21N5O2++,[NH3+]CCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCC[NH3+],"InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2/p+2",-5.3798,-5.3775,-5.3758,-5.3755,-5.3584,-5.3572,1.7656,1.9006,2.6488,2.7686,3.6426,D05522_L01DB11,2006012000400080030006008080482a8010004000000008000000a0002004001c0040000040802040860628000010c400000000000430080500000200802500040004104000020000002000008800800080004004002008500a08000000c0000500000140240010408009002010040010060140204100400058800002400018,1500000000f021,0000c0800400010000000000000000004003000000009000000000000000000000004640c03200,0000000000002100014002009b412041d4e3c56f1f,0,12,33,2,0,6,45,47,-14.165,-6.02,0,1.0,2.6677200000000002e-08,-,0.9803,-,0.9803,https://www.genome.jp/dbget-bin/www_bget?dr:D05522
3651,D09654, Pixantrone dimaleate (USAN), Anthracyclines and related substances,L01DB11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,n1ccc2c(c1)C(=O)c1c(C2=O)c(ccc1NCC[NH3+])NCC[NH3+],327.381,-0.6894,93.6996,126.37,26,4,5,PEZPMAYDXJQYRV-UHFFFAOYSA-P,C17H21N5O2++,[NH3+]CCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCC[NH3+],"InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2/p+2",-5.382000000000001,-5.3791,-5.3785,-5.3776,-5.3528,-5.3516,1.7664,1.9119,2.7417,2.7754,3.7373,D09654_L01DB11,2006012000400080030006008080482a8010004000000008000000a0002004001c0040000040802040860628000010c400000000000430080500000200802500040004104000020000002000008800800080004004002008500a08000000c0000500000140240010408009002010040010060140204100400058800002400018,1500000000f021,0000c0800400010000000000000000004003000000009000000000000000000000004640c03200,0000000000002100014002009b412041d4e3c56f1f,0,12,33,2,0,6,45,47,-14.168,-6.021,0,0.0,2.66853e-08,-,0.9803,-,0.9803,https://www.genome.jp/dbget-bin/www_bget?dr:D09654
3652,D00468, Plicamycin (USP/INN), Other cytotoxic antibiotics,L01DC02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(O[C@@H]([C@H]([C@@](C1)(C)O)O)C)O[C@H]1[C@H]([C@H](O[C@H](C1)O[C@H]1[C@@H]([C@H](O[C@H](C1)O[C@@H]1C(=O)c2c(c3c(c(c(O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@@H]4O[C@@H]([C@H]([C@@H](C4)O)O)C)cc3cc2C[C@H]1[C@@H](C(=O)[C@H]([C@H](O)C)O)OC)C)O)O)C)O)C)O,1085.15,-0.2493,261.332,358.2,100,11,24,CFCUWKMKBJTWLW-BKHRDMLASA-N,C52H76O24,COC(C1Cc2cc3cc(OC4OC(C)C(C(C4)OC4CC(O)C(C(O4)C)O)O)c(c(c3c(c2C(=O)C1OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)(C)O)O)O)O)O)O)C)C(=O)C(C(O)C)O,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",-3.1922,-3.1838,-3.1716,-3.1691,-3.1591,-3.1476,1.901,1.9225,1.9604,2.2575,2.3342,D00468_L01DC02,080441000000a2800248020002030501200000240000120001000080000400001400400a404000054802021820015500010a020000a04815008100a22002800808b02808210004110000a0020a80801450d100400000104860180a010008200041020008003800420288024241102880000301000b0501200808004341000504,1400006c72b001,07e80000000181400000000000000000c001000000010000000000000000000000004677403804,000000000000300182000017928985e48cddb3d21e,0,11,146,2,0,15,152,159,-8.342,-0.49200000000000005,25,,0.148908511,+,13.7932,-,13.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D00468
3653,D00208, Mitomycin (USP/INN), Other cytotoxic antibiotics,L01DC03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]12(N(C3=C([C@H]2COC(=O)N)C(=O)C(=C(C3=O)C)N)C[C@H]2[C@@H]1[NH2+]2)OC,335.335,0.2303,87.9172,141.56,27,3,8,NWIBSHFKIJFRCO-WUDYKRTCSA-O,C15H19N4O5+,COC12C(COC(=O)N)C3=C(N1CC1C2[NH2+]1)C(=O)C(=C(C3=O)N)C,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/p+1/t6-,7+,13+,15-/m1/s1",-6.6344,-5.9568,-5.279,-5.0994,-5.0582,-4.3754,2.252,2.3153,2.6961,2.8595,2.8742,D00208_L01DC03,002a8040004002a61e1444000002100c21050490006a4200020000200300a004100a1002e1a00013f01e00b001080000218202001020e701460108010040a31048001a0004141080012180011a80020e20b00145000620008801100100068011020400a2a10308001480310080001c00000f0904000910000104400902004700,1500880030e001,0500c0010400014000080000000000004043000100000000000000000000000000004440c07a04,008060020010030000c81cdf9ffb90e7946bfbff1d,0,0,41,5,0,4,43,46,-11.568,-4.56,4,,7.28247e-05,+,3.7188,-,3.7188,https://www.genome.jp/dbget-bin/www_bget?dr:D00208
3654,D04645, Ixabepilone (JAN/USAN/INN), Other cytotoxic antibiotics,L01DC04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1([C@H](C(=O)C([C@H](CC(=O)N[C@@H](C[C@H]2[C@@](CCC[C@H]1C)(O2)C)/C(=C\c1nc(sc1)C)/C)O)(C)C)C)O,506.69800000000004,4.3793,144.19299999999998,140.29,49,3,8,FABUFPQFXZVHFB-QFRVFWARSA-N,C27H42N2O5S,O=C1NC(CC2OC2(C)CCCC(C(C(C(=O)C(C(C1)O)(C)C)C)O)C)C(=Cc1csc(n1)C)C,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11-/t15-,17-,20+,21+,22+,24+,27-/m1/s1",-4.3687,-3.8361,-3.772,-3.1329,-2.9622,-2.0157,1.5162,1.6018,1.8432,2.0926,2.2201,D04645_L01DC04,002a01020000022c011006040402000004930090004068000000000e0114000318001100a08040219006141020000000052680001020c0008801001a0000a0240c100c000224020103008b021a80031400900150000a2000c84052080000000008840128800010800000000480001800000501900009100000900081c2020300,1400002c30b001,1fa80000000001000000800020000000000000000000d000000000000000000000004e40403805,0080200008401201030a858f85e9bcc18d7df6fa1b,0,5,71,3,0,2,77,79,-9.506,-0.34600000000000003,7,2.0,0.48751923399999997,+,4.6009,-,4.6009,https://www.genome.jp/dbget-bin/www_bget?dr:D04645
3655,D01790, Oxaliplatin (JAN/USAN/INN), Platinum compounds,L01XA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1CC[C@H]([C@@H](C1)[NH3+])[NH3+],116.205,-1.2186,36.7722,55.28,16,2,0,SSJXIUAHEKJCMH-PHDIDXHHSA-P,C6H16N2++,[NH3+]C1CCCCC1[NH3+],"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/p+2/t5-,6-/m1/s1",-5.375,-5.3713,-5.341,-5.3403,-5.3262,-5.3238,1.7859,1.7883,1.7889,1.7982,2.3208,D01790_L01XA03,0000000000000000000004000000000000000000000000000000000000000000100000000000000010000030000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0200c0000400000000000000000000000000000000000000000000000000000000000000c00204,000000000000210000400006804020801520642815,0,0,24,0,0,0,24,24,-18.435,-8.877,2,2.0,7.30922e-21,+,0.8786,-,0.8786,https://www.genome.jp/dbget-bin/www_bget?dr:D01790
3656,D08423, Procarbazine (INN), Methylhydrazines,L01XB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(C(=O)NC(C)C)ccc(cc1)C[NH2+][NH2+]C,223.315,-0.6127,66.944,62.32,23,3,2,RTHWKIXSSMOEDB-UHFFFAOYSA-N,C12H21N3O++,C[NH2+][NH2+]Cc1ccc(cc1)C(=O)NC(C)C,"InChI=1S/C12H21N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9H,8,13-14H2,1-3H3,(H,15,16)/q+2",-4.1372,-3.8529,-3.6244,-2.5141,-2.5136,-2.5101,1.5572,1.7534,1.7534,1.9980000000000002,2.0062,D08423_L01XB01,800200000000048001004e00000100000000008000000000000000c0000000001c0040000000004000860208000000000000000000000004000000020000000004000000000400200000000002880080008000400000200040080000000100000010000200000000000000000000000000060140000100000008000804000000,0500000000f001,0100000000000000000080000a0000000001000000000000000000000000000000000240c02a00,000000000000090018020a3888601808043050af1f,0,6,30,1,0,6,37,37,-14.139000000000001,-11.234000000000002,0,1.0,6.53716e-13,-,0.239,-,0.239,https://www.genome.jp/dbget-bin/www_bget?dr:D08423
3657,D00478, Procarbazine hydrochloride (JP17/USP), Methylhydrazines,L01XB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(C(=O)NC(C)C)ccc(cc1)C[NH2+][NH2+]C,223.315,-0.6127,66.944,62.32,23,3,2,RTHWKIXSSMOEDB-UHFFFAOYSA-N,C12H21N3O++,C[NH2+][NH2+]Cc1ccc(cc1)C(=O)NC(C)C,"InChI=1S/C12H21N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9H,8,13-14H2,1-3H3,(H,15,16)/q+2",-4.1242,-3.8346,-3.6697,-2.5139,-2.5123,-2.5102,1.5573,1.7542,1.7551,1.9903,1.9951,D00478_L01XB01,800200000000048001004e00000100000000008000000000000000c0000000001c0040000000004000860208000000000000000000000004000000020000000004000000000400200000000002880080008000400000200040080000000100000010000200000000000000000000000000060140000100000008000804000000,0500000000f001,0100000000000000000080000a0000000001000000000000000000000000000000000240c02a00,000000000000090018020a3888601808043050af1f,0,6,30,1,0,6,37,37,-14.14,-11.238,0,,6.528470000000001e-13,-,0.239,-,0.239,https://www.genome.jp/dbget-bin/www_bget?dr:D00478
3658,D08204, Methyl aminolevulinate, Sensitizers used in photodynamic/radiation therapy,L01XD03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,COC(=O)CCC(=O)C[NH3+],146.164,-1.2494,36.4061,71.01,15,1,3,YUUAYBAIHCDHHD-UHFFFAOYSA-O,C6H12NO3+,[NH3+]CC(=O)CCC(=O)OC,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3/p+1",-5.3985,-5.3665,-5.3168,-4.6364,-4.3727,-3.0239,1.7511,1.7566,1.7745,2.3887,2.4617,D08204_L01XD03,00000000000000000000040002020000000000000000000000000000000000001000000000000001000a001000000000010000000000400000010000000082000800080000000000000000011080000400b001400000000080000000000000000000000000000000000000000000080000050100000000000000000100000500,1500000030e004,0200c0000400010000009000000000000000000000000000000000000000000000000000c02a01,000000000000010000000256080828248900c6f709,0,0,19,2,0,5,22,21,-13.822000000000001,-4.68,0,2.0,,-,0.4155,-,0.4155,https://www.genome.jp/dbget-bin/www_bget?dr:D08204
3659,D04988, Methyl aminolevulinate hydrochloride (U, Sensitizers used in photodynamic/radiation therapy,L01XD03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,COC(=O)CCC(=O)C[NH3+],146.164,-1.2494,36.4061,71.01,15,1,3,YUUAYBAIHCDHHD-UHFFFAOYSA-O,C6H12NO3+,[NH3+]CC(=O)CCC(=O)OC,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3/p+1",-5.3886,-5.3682,-5.3644,-4.6241,-4.4304,-3.0098,1.7422,1.7476,1.7568,1.7835,2.3918,D04988_L01XD03,00000000000000000000040002020000000000000000000000000000000000001000000000000001000a001000000000010000000000400000010000000082000800080000000000000000011080000400b001400000000080000000000000000000000000000000000000000000080000050100000000000000000100000500,1500000030e004,0200c0000400010000009000000000000000000000000000000000000000000000000000c02a01,000000000000010000000256080828248900c6f709,0,0,19,2,0,5,22,21,-13.821,-4.678,0,-1.0,,-,0.4155,-,0.4155,https://www.genome.jp/dbget-bin/www_bget?dr:D04988
3660,D07567, Aminolevulinic acid, Sensitizers used in photodynamic/radiation therapy,L01XD04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=O)(CCC(=O)O)C[NH3+],132.138,-1.3378,32.0859,82.01,12,2,3,ZGXJTSGNIOSYLO-UHFFFAOYSA-O,C5H10NO3+,OC(=O)CCC(=O)C[NH3+],"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p+1",-5.3944,-5.377000000000001,-5.291,-4.6412,-4.5928,-4.4284,1.7609,2.3684,2.3819999999999997,2.3857,2.3896,D07567_L01XD04,00000000000000000000040002000000000000000000000000000000000000001000000000000001000a0010000000000100000000004000000000000000000008000800000000000000000110800004003001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000500,1500000c00e002,0200c0000400010000008800000000000000000000000000000000000000000000000000c02a01,000000000000010000000246880020048d04c67709,0,0,16,2,0,4,19,18,-6.916,-2.248,0,0.0,,-,0.4632,-,0.4632,https://www.genome.jp/dbget-bin/www_bget?dr:D07567
3661,D02908, Aminolevulinic acid hydrochloride (JAN/, Sensitizers used in photodynamic/radiation therapy,L01XD04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[NH3+]CC(=O)CCC(=O)O,132.138,-1.3378,32.0859,82.01,12,2,3,ZGXJTSGNIOSYLO-UHFFFAOYSA-O,C5H10NO3+,OC(=O)CCC(=O)C[NH3+],"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p+1",-5.3889,-5.3569,-5.3564,-4.6398,-4.5984,-4.3878,1.7728,2.0559,2.3671,2.3917,2.3919,D02908_L01XD04,00000000000000000000040002000000000000000000000000000000000000001000000000000001000a0010000000000100000000004000000000000000000008000800000000000000000110800004003001400000000080000000000000000000000000000000000000000000080000040000000000000000000100000500,1500000c00e002,0200c0000400010000008800000000000000000000000000000000000000000000000000c02a01,000000000000010000000246880020048d04c67709,0,0,16,2,0,4,19,18,-6.922000000000001,-2.213,0,,,-,0.4571,-,0.4571,https://www.genome.jp/dbget-bin/www_bget?dr:D02908
3662,D06066, Temoporfin (USAN/INN), Sensitizers used in photodynamic/radiation therapy,L01XD05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[nH]1/c/2=C(\C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C(/C(=c/1\cc2)/c1cccc(c1)O)C=C5)/c1cccc(c1)O)cc4)/c1cccc(c1)O)/CC3)/c1cccc(c1)O,680.7489999999999,5.9126,212.035,137.22,38,6,6,LYPFDBRUNKHDGX-LWQDQPMZSA-N,C44H32N4O4,Oc1cccc(c1)C1=C2CCC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cccc(c1)O)C=C3)c1cccc(c1)O)[nH]2)c1cccc(c1)O,"InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",-3.388,-2.8853,-2.5843,-1.3393,-1.1064,-1.0294,0.8029999999999999,0.8331,1.0079,1.1068,1.2844,D06066_L01XD05,080c9921600200648601060886895889409a04e000664048004013e2c208000912084700a0888060108e003811610001cd0222108628a1180573005a208c06208c03040002440605a4602008020016001088b16004901118c3081828020b80001814201b804002b20100094c20001042202e111c024320204a4807435a005011,0000000402b001,120000000000080000000000000000000000000000018400000000000000000000008640437801,000000020010022001a804840441e141046dc7781f,0,34,51,7,0,4,84,92,-7.379,-1.952,0,0.0,0.999557316,+,10.201,-,10.201,https://www.genome.jp/dbget-bin/www_bget?dr:D06066
3663,D03961, Efaproxiral (USAN/INN), Sensitizers used in photodynamic/radiation therapy,L01XD06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc(cc1C)NC(=O)Cc1ccc(cc1)OC(C(=O)O)(C)C)C,341.401,3.7996,97.8965,75.63,27,2,5,BNFRJXLZYUTIII-UHFFFAOYSA-N,C20H23NO4,O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)O)(C)C,"InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)",-4.5693,-4.3708,-3.7996,-3.2227,-2.883,-1.3425,1.1895,1.4685,1.921,2.0789,2.3781,D03961_L01XD06,00060000002000000300060000824004800080000800120000000080000004001100408900200025000e201800001040000002000000000800000082000004000800080041002241000010000280800100d0004004002c0850080800000000000000000000000402000000000110002400060100080110600800000002400004,0400000c50b003,0300020000000000000088000a0000000000000000000000000000000000000000000200402800,00000000000000008202000880e01164dc5cd3fe1f,0,12,35,2,0,7,48,49,-4.631,1.865,0,-2.0,0.001245239,+,0.9072,-,0.9072,https://www.genome.jp/dbget-bin/www_bget?dr:D03961
3664,D03962, Efaproxiral sodium (USAN), Sensitizers used in photodynamic/radiation therapy,L01XD06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc(cc1C)NC(=O)Cc1ccc(cc1)OC(C(=O)O)(C)C)C,341.401,3.7996,97.8965,75.63,27,2,5,BNFRJXLZYUTIII-UHFFFAOYSA-N,C20H23NO4,O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)O)(C)C,"InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)",-4.5085,-4.4713,-3.8009,-3.2146,-2.8779,-1.3459,1.2043,1.4592,1.9396,2.0783,2.3629,D03962_L01XD06,00060000002000000300060000824004800080000800120000000080000004001100408900200025000e201800001040000002000000000800000082000004000800080041002241000010000280800100d0004004002c0850080800000000000000000000000402000000000110002400060100080110600800000002400004,0400000c50b003,0300020000000000000088000a0000000000000000000000000000000000000000000200402800,00000000000000008202000880e01164dc5cd3fe1f,0,12,35,2,0,7,48,49,-4.636,1.865,0,0.0,0.0012468610000000001,+,0.9273,-,0.9273,https://www.genome.jp/dbget-bin/www_bget?dr:D03962
3665,D08066, Imatinib (INN), Protein kinase inhibitors,L01XE01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C(=O)Nc1cc(c(cc1)C)Nc1nc(ccn1)c1cnccc1)C[N@@H+]1CC[N@@H+](CC1)C,495.619,5.0405,156.421,88.68,39,4,5,KTUFNOKKBVMGRW-UHFFFAOYSA-P,C29H33N7O++,C[NH+]1CC[NH+](CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/p+2",-6.0252,-6.0135,-5.8601,-4.7954,-4.7812,-4.5713,2.2492,2.2809,2.347,2.3521,2.3614,D08066_L01XE01,a2020020000804c0010846000c81c008e010018000060008000018c003000c001c0140026028813100a6022c000010400600a0100000600c046000120000060004000c804004020000a010000288008210d800600400280040080100000100000010080200280000004000040410040910060544004100800008010002e20100,0500000000f021,0100400204000000000080000a0000000001000000009000000000000000000000000640c02a04,000000010000312001d4321c8a62bc8355a37daf1f,0,24,49,1,0,8,70,74,-11.380999999999998,-8.228,0,0.0,0.0010773669999999999,+,2.5589,-,2.5589,https://www.genome.jp/dbget-bin/www_bget?dr:D08066
3666,D01441, Imatinib mesylate (USAN), Protein kinase inhibitors,L01XE01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C(=O)Nc1cc(c(cc1)C)Nc1nc(ccn1)c1cnccc1)C[N@@H+]1CC[N@@H+](CC1)C,495.619,5.0405,156.421,88.68,39,4,5,KTUFNOKKBVMGRW-UHFFFAOYSA-P,C29H33N7O++,C[NH+]1CC[NH+](CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/p+2",-6.0126,-6.01,-5.827999999999999,-4.8047,-4.7853,-4.5651,2.2508,2.2878,2.3437,2.3589,2.3636,D01441_L01XE01,a2020020000804c0010846000c81c008e010018000060008000018c003000c001c0140026028813100a6022c000010400600a0100000600c046000120000060004000c804004020000a010000288008210d800600400280040080100000100000010080200280000004000040410040910060544004100800008010002e20100,0500000000f021,0100400204000000000080000a0000000001000000009000000000000000000000000640c02a04,000000010000312001d4321c8a62bc8355a37daf1f,0,24,49,1,0,8,70,74,-11.382,-8.228,0,,0.001076258,+,2.5589,-,2.5589,https://www.genome.jp/dbget-bin/www_bget?dr:D01441
3667,D01977, Gefitinib (JAN/USAN/INN), Protein kinase inhibitors,L01XE02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)cc(c(c2)OCCC[NH+]1CCOCC1)OC)Nc1cc(c(cc1)F)Cl,447.91,4.5007,122.62,69.94,31,2,5,XGALLCVXEZPNRQ-UHFFFAOYSA-O,C22H25ClFN4O3+,COc1cc2ncnc(c2cc1OCCC[NH+]1CCOCC1)Nc1ccc(c(c1)Cl)F,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)/p+1",-6.0181,-4.5404,-4.5274,-4.4929,-3.3894,-3.1756,1.5656,1.5692,1.8263,2.242,2.3533,D01977_L01XE02,c00222000000004008804600088200008100000000000402001000000124000010000000c04080332819041800000040004626100a00e00808400010000024100ca10c0249100801011040002640800600980040040030014008000000210000080800001080080e10400002801004010006298a080110200800000002800004,0100000070f021,0280420204000000000000000000000100000000000c9000000000000000000000004600c03a00,000000002002010181947256db55a1e37de3effd1f,1,17,42,0,0,8,56,59,-10.82,-4.293,0,1.0,0.483194888,-,1.6519,-,1.6519,https://www.genome.jp/dbget-bin/www_bget?dr:D01977
3668,D07907, Erlotinib (INN), Protein kinase inhibitors,L01XE03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)cc(c(c2)OCCOC)OCCOC)Nc1ccc(cc1)C#C,393.436,3.4781,111.399,74.73,30,1,6,ULQGUXLVNLHPHK-UHFFFAOYSA-N,C22H23N3O4,COCCOc1cc2c(ncnc2cc1OCCOC)Nc1ccc(cc1)C#C,"InChI=1S/C22H23N3O4/c1-4-16-5-7-17(8-6-16)25-22-18-13-20(28-11-9-26-2)21(29-12-10-27-3)14-19(18)23-15-24-22/h1,5-8,13-15H,9-12H2,2-3H3,(H,23,24,25)",-3.4074,-3.1592,-3.1534,-2.7057,-2.4921,-2.0786,0.9928,1.1799,1.2096,1.2925,2.2631,D07907_L01XE03,c0012000000000400800460008820002800080000000040200000080042000000000400a404080242800040800000040000426100a00600808400012000004000c800c02410020010080400026408004009000400400300140080000002100000808000010800806004000000030440000062908080900200808000002000004,0000000070b021,208002000000000000000000000000010000000000009000000000000000000000004680403800,0000010020000000819020101311ad6158ebf7fd1f,0,17,36,0,1,10,52,54,-8.177,-1.0090000000000001,0,0.0,0.883521497,-,0.9829,-,0.9829,https://www.genome.jp/dbget-bin/www_bget?dr:D07907
3669,D04023, Erlotinib hydrochloride (JAN/USAN), Protein kinase inhibitors,L01XE03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)cc(c(c2)OCCOC)OCCOC)Nc1ccc(cc1)C#C,393.436,3.4781,111.399,74.73,30,1,6,ULQGUXLVNLHPHK-UHFFFAOYSA-N,C22H23N3O4,COCCOc1cc2c(ncnc2cc1OCCOC)Nc1ccc(cc1)C#C,"InChI=1S/C22H23N3O4/c1-4-16-5-7-17(8-6-16)25-22-18-13-20(28-11-9-26-2)21(29-12-10-27-3)14-19(18)23-15-24-22/h1,5-8,13-15H,9-12H2,2-3H3,(H,23,24,25)",-3.3655,-3.1414,-3.1395,-2.7049,-2.5178,-2.069,0.934,1.1885,1.2122,1.2992,2.3284,D04023_L01XE03,c0012000000000400800460008820002800080000000040200000080042000000000400a404080242800040800000040000426100a00600808400012000004000c800c02410020010080400026408004009000400400300140080000002100000808000010800806004000000030440000062908080900200808000002000004,0000000070b021,208002000000000000000000000000010000000000009000000000000000000000004680403800,0000010020000000819020101311ad6158ebf7fd1f,0,17,36,0,1,10,52,54,-8.163,-1.016,0,1.0,0.881582975,-,0.9829,-,0.9829,https://www.genome.jp/dbget-bin/www_bget?dr:D04023
3670,D08552, Sunitinib (INN), Protein kinase inhibitors,L01XE04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(cc2c1NC(=O)/C/2=C/c1c(c(c([nH]1)C)C(=O)NCC[NH+](CC)CC)C)F,399.48199999999997,2.4467,117.564,78.43,32,4,4,WINHZLLDWRZWRT-ATVHPVEESA-O,C22H28FN4O2+,CC[NH+](CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/p+1/b17-12-",-5.9605,-5.4609,-4.8035,-4.6037,-4.5921,-4.5275,1.8696,1.8991,1.9353,2.6163,3.1187,D08552_L01XE04,200600a000a200a40380260004c1600c811201c010604088010200c2044004001d01418300288220008e3038000012c10000a0000080210804010012080406240c004408c20502c002b0310002800001089000700401280950284928000180010c540208804020901080000421000021100e01168001100000b8800002420810,0500000000f001,1100400204000000000080002a0000004003000000088400000000000000000000004640c07a00,000000000002330001c8768c9d6dba43e5f37cef1f,1,11,45,3,0,8,57,59,-10.302,-4.16,0,1.0,0.26754570000000005,-,2.4451,-,2.4451,https://www.genome.jp/dbget-bin/www_bget?dr:D08552
3671,D06402, Sunitinib malate (JAN/USAN), Protein kinase inhibitors,L01XE04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(cc2c1NC(=O)/C/2=C/c1c(c(c([nH]1)C)C(=O)NCC[NH+](CC)CC)C)F,399.48199999999997,2.4467,117.564,78.43,32,4,4,WINHZLLDWRZWRT-ATVHPVEESA-O,C22H28FN4O2+,CC[NH+](CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/p+1/b17-12-",-5.9575,-5.4862,-4.7877,-4.612,-4.5917,-4.5648,1.8824,1.8956,1.926,2.6368,3.0173,D06402_L01XE04,200600a000a200a40380260004c1600c811201c010604088010200c2044004001d01418300288220008e3038000012c10000a0000080210804010012080406240c004408c20502c002b0310002800001089000700401280950284928000180010c540208804020901080000421000021100e01168001100000b8800002420810,0500000000f001,1100400204000000000080002a0000004003000000088400000000000000000000004640c07a00,000000000002330001c8768c9d6dba43e5f37cef1f,1,11,45,3,0,8,57,59,-10.297,-4.16,0,1.0,0.246740684,-,2.4451,-,2.4451,https://www.genome.jp/dbget-bin/www_bget?dr:D06402
3672,D08524, Sorafenib (USAN/INN), Protein kinase inhibitors,L01XE05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1cc(ncc1)C(=O)NC,464.825,6.0866,112.48299999999999,92.35,23,3,7,MLDQJTXFUGDVEO-UHFFFAOYSA-N,C21H16ClF3N4O3,CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",-4.6081,-4.1839,-4.1838,-4.1739,-4.1512,-3.9378,1.9415,1.946,2.0781,2.1585,2.3901,D08524_L01XE05,004226020004148001000600848340008000209040000c00000200800020140004804400002082200087020800214040100006000020280804000002000004000c0104224140020100001009268800020488004004002900500800000000000009300002000400020000100020100404400e0110084110200808004406800000,0400000090b041,0001040000000000000080000a0000000041040000049000000000000000000000000640602800,00000000100600000150405843a61161f4e1e3fa1f,3,18,30,2,0,9,48,50,-9.559,-0.595,0,0.0,0.9178180690000001,-,1.5499,-,1.5499,https://www.genome.jp/dbget-bin/www_bget?dr:D08524
3673,D06272, Sorafenib tosylate (USAN), Protein kinase inhibitors,L01XE05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1C(F)(F)F)Cl)NC(=O)Nc1ccc(cc1)Oc1cc(ncc1)C(=O)NC,464.825,6.0866,112.48299999999999,92.35,23,3,7,MLDQJTXFUGDVEO-UHFFFAOYSA-N,C21H16ClF3N4O3,CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",-4.6266,-4.1844,-4.1842,-4.1714,-4.1492,-3.9266,1.9454,1.9476,2.074,2.164,2.4642,D06272_L01XE05,004226020004148001000600848340008000209040000c00000200800020140004804400002082200087020800214040100006000020280804000002000004000c0104224140020100001009268800020488004004002900500800000000000009300002000400020000100020100404400e0110084110200808004406800000,0400000090b041,0001040000000000000080000a0000000041040000049000000000000000000000000640602800,00000000100600000150405843a61161f4e1e3fa1f,3,18,30,2,0,9,48,50,-9.56,-0.589,0,-1.0,0.9179292920000001,-,1.5499,-,1.5499,https://www.genome.jp/dbget-bin/www_bget?dr:D06272
3674,D03658, Dasatinib (INN), Protein kinase inhibitors,L01XE06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(nc(c1)N1CC[NH+](CC1)CCO)C)Nc1sc(cn1)C(=O)Nc1c(cccc1C)Cl,489.01300000000003,3.6766,139.595,135.95,35,4,8,ZBNZXTGUTAYRHI-UHFFFAOYSA-O,C22H27ClN7O2S+,OCC[NH+]1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/p+1",-6.0633,-4.7887,-4.556,-4.5408,-4.5064,-4.072,2.0055,2.2231,2.3085,3.136,3.3326,D03658_L01XE06,c0022384001000e001204e001c80340a841401b0100400000204108c00200c021a00553260688122803f0c2a001010d00092a0b4100060088040001200100d110c001c0040291280212010000680000600d80050042a2800700a0000004300100898061880d9000440600000a0040401180e291ca20100000000404202c00310,0500001c00f021,0118400204000000000080000a000001400020000004d000000000000000000000000640c03a00,000000002840212001d4f7cccb76b0837da77dff1f,0,17,45,1,0,8,60,63,-10.897,-4.197,0,0.0,0.454797447,+,2.2880000000000003,-,2.2880000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D03658
3675,D06414, Dasatinib (USAN), Protein kinase inhibitors,L01XE06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(nc(c1)N1CC[NH+](CC1)CCO)C)Nc1sc(cn1)C(=O)Nc1c(cccc1C)Cl,489.01300000000003,3.6766,139.595,135.95,35,4,8,ZBNZXTGUTAYRHI-UHFFFAOYSA-O,C22H27ClN7O2S+,OCC[NH+]1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/p+1",-6.0225,-4.8554,-4.5521,-4.5411,-4.5124,-4.0578,1.9995,2.2253,2.3082,3.1234,3.2503,D06414_L01XE06,c0022384001000e001204e001c80340a841401b0100400000204108c00200c021a00553260688122803f0c2a001010d00092a0b4100060088040001200100d110c001c0040291280212010000680000600d80050042a2800700a0000004300100898061880d9000440600000a0040401180e291ca20100000000404202c00310,0500001c00f021,0118400204000000000080000a000001400020000004d000000000000000000000000640c03a00,000000002840212001d4f7cccb76b0837da77dff1f,0,17,45,1,0,8,60,63,-10.895999999999999,-4.191,0,1.0,0.460900694,+,2.2880000000000003,-,2.2880000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D06414
3676,D08108, Lapatinib (INN), Protein kinase inhibitors,L01XE07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)ccc(c2)c1ccc(o1)C[NH2+]CCS(=O)(=O)C)Nc1cc(c(cc1)OCc1cccc(c1)F)Cl,582.065,6.2667,155.141,119.31,33,2,6,BCFGMOOMADDAQU-UHFFFAOYSA-O,C29H27ClFN4O4S+,Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)C[NH2+]CCS(=O)(=O)C,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)/p+1",-7.1544,-6.9982,-5.8677,-5.7215,-5.6629,-4.3379,2.295,2.3123,2.4251,2.4332,2.9117,D08108_L01XE07,e00203024000004000c0460008c34000d10000881040140602a800c0202080000010c80440408030289906080000644002c022100a02600c044c0112004006040c000c026104008109904500260c80c600981050342030014068000a006102000818a4021080000a10400000801004040006590a080118200808600482a04104,0100000050f121,0000420104000000000000000000000100000000000cb000800000000000000000004600c03a01,000000002002453b0591eed0fbd5ad69ffebeffd1f,1,28,41,2,0,11,67,71,-11.047,-4.912,0,-1.0,0.915035844,+,4.3392,-,4.3392,https://www.genome.jp/dbget-bin/www_bget?dr:D08108
3677,D04024, Lapatinib ditosylate (USAN), Protein kinase inhibitors,L01XE07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)ccc(c2)c1ccc(o1)C[NH2+]CCS(=O)(=O)C)Nc1cc(c(cc1)OCc1cccc(c1)F)Cl,582.065,6.2667,155.141,119.31,33,2,6,BCFGMOOMADDAQU-UHFFFAOYSA-O,C29H27ClFN4O4S+,Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)C[NH2+]CCS(=O)(=O)C,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)/p+1",-7.0405,-7.0196,-5.9957,-5.7115,-5.6199,-4.5643,2.3178,2.3966,2.4195,2.6272,2.93,D04024_L01XE07,e00203024000004000c0460008c34000d10000881040140602a800c0202080000010c80440408030289906080000644002c022100a02600c044c0112004006040c000c026104008109904500260c80c600981050342030014068000a006102000818a4021080000a10400000801004040006590a080118200808600482a04104,0100000050f121,0000420104000000000000000000000100000000000cb000800000000000000000004600c03a01,000000002002453b0591eed0fbd5ad69ffebeffd1f,1,28,41,2,0,11,67,71,-11.046,-4.922,0,,0.8927693959999999,+,4.3392,-,4.3392,https://www.genome.jp/dbget-bin/www_bget?dr:D04024
3678,D08953, Nilotinib (USAN/INN), Protein kinase inhibitors,L01XE08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(cc(cc(c1)NC(=O)c1cc(c(cc1)C)Nc1nc(ccn1)c1cnccc1)C(F)(F)F)n1cnc(c1)C,529.516,6.5018,141.077,97.62,29,2,7,HHZIURLSWUIHRB-UHFFFAOYSA-N,C28H22F3N7O,Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",-4.8031,-4.7615,-4.435,-4.1862,-4.185,-4.1811,1.7235,1.9167,2.0753,2.2661,2.2664,D08953_L01XE08,a2020020000814c0010846100d81c024ec100190008600080000188003000c001c0140814028813100a6021c000010c01600a0500001600c046000920800060804000c9040000600000010050098008214c800600c802800500800000001800000100a0200a410000040000e4410040d10060540004110c00008810002e20110,0400000000b021,0101000000000000000080000a0000000001000000009800000000000000000000000640602800,000000010002002001d4148802a6900374a179aa1f,3,29,35,1,0,8,61,65,-9.394,-0.726,0,-3.0,0.9857221840000001,+,3.1811,-,3.1811,https://www.genome.jp/dbget-bin/www_bget?dr:D08953
3679,D06413, Nilotinib hydrochloride hydrate (JAN), Protein kinase inhibitors,L01XE08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(cc(cc(c1)NC(=O)c1cc(c(cc1)C)Nc1nc(ccn1)c1cnccc1)C(F)(F)F)n1cnc(c1)C,529.516,6.5018,141.077,97.62,29,2,7,HHZIURLSWUIHRB-UHFFFAOYSA-N,C28H22F3N7O,Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",-4.7929,-4.7777,-4.4336,-4.186,-4.185,-4.1803,1.7268,1.9172,2.0945,2.2289,2.3052,D06413_L01XE08,a2020020000814c0010846100d81c024ec100190008600080000188003000c001c0140814028813100a6021c000010c01600a0500001600c046000920800060804000c9040000600000010050098008214c800600c802800500800000001800000100a0200a410000040000e4410040d10060540004110c00008810002e20110,0400000000b021,0101000000000000000080000a0000000001000000009800000000000000000000000640602800,000000010002002001d4148802a6900374a179aa1f,3,29,35,1,0,8,61,65,-9.394,-0.726,0,0.0,0.985723615,+,3.1811,-,3.1811,https://www.genome.jp/dbget-bin/www_bget?dr:D06413
3680,D06068, Temsirolimus (JAN/USAN/INN), Protein kinase inhibitors,L01XE09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)OC(=O)C(CO)(CO)C)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,1030.29,5.6603,279.9,241.96,104,4,17,CBPNZQVSJQDFBE-FUXHJELOSA-N,C56H87NO16,COC1CC(CCC1OC(=O)C(CO)(CO)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",-4.4082,-4.3634,-4.2589,-4.2475,-4.2166,-3.5158,2.2047,2.3351,2.351,2.4887,2.9516,D06068_L01XE09,102200000040a2240300048040020000210000b000c0c00000040000011420101e00100880a04017100e04102000000001a200029020c003000000800000a2100c9028080c14088002008a020a80021600f0015000222040a880100140200004420400284008000001002000c0000cc000070180080d90020050048140040100,1400023c30a005,1fb80000000001410000b00020000000000000000000000000000000000000000000c47a432805,00000000000012018208125f0ff9bce78d5fbfff1d,0,0,153,10,0,11,160,163,-8.792,-0.642,15,1.0,0.979282916,+,13.0812,-,13.0812,https://www.genome.jp/dbget-bin/www_bget?dr:D06068
3681,D02714, Everolimus (JAN/USAN/INN), Protein kinase inhibitors,L01XE10,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)OCCO)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,958.2239999999999,6.1351,264.377,204.66,98,3,15,HKVAMNSJSFKALM-GKUWKFKPSA-N,C53H83NO14,OCCOC1CCC(CC1OC)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",-4.37,-4.3649,-4.2633,-4.2412,-3.514,-3.4069,2.1409,2.1772,2.3549,2.4182,2.9757,D02714_L01XE10,102200000040a2240300048040020000210000b000c0c00000040000011420101e00100880a04017100e04102000000001a200029020c003000000800000a2100c902a080c14088002008a020a80021600f0015000222040a880100140200004420400284008000001002000c0000cc000070180000990020050048140040100,1400023c30a005,17b80000000001410000a00020000000000000000000000000000000000000000000c47a432805,00000000000002018008125f8ff9bce78d5fbfff1d,0,0,145,9,0,9,151,154,-8.772,-0.604,15,0.0,0.984662235,+,10.9511,-,10.9511,https://www.genome.jp/dbget-bin/www_bget?dr:D02714
3682,D02714, Everolimus (JAN/USAN/INN), Selective immunosuppressants,L04AA18,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)OCCO)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,958.2239999999999,6.1351,264.377,204.66,98,3,15,HKVAMNSJSFKALM-GKUWKFKPSA-N,C53H83NO14,OCCOC1CCC(CC1OC)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",-4.3732,-4.2785,-4.2764,-4.1138,-3.4888,-3.3051,2.1844,2.2078,2.3124,2.3719,2.9664,D02714_L04AA18,102200000040a2240300048040020000210000b000c0c00000040000011420101e00100880a04017100e04102000000001a200029020c003000000800000a2100c902a080c14088002008a020a80021600f0015000222040a880100140200004420400284008000001002000c0000cc000070180000990020050048140040100,1400023c30a005,17b80000000001410000a00020000000000000000000000000000000000000000000c47a432805,00000000000002018008125f8ff9bce78d5fbfff1d,0,0,145,9,0,9,151,154,-8.772,-0.604,15,0.0,0.984662235,+,10.9511,-,10.9511,https://www.genome.jp/dbget-bin/www_bget?dr:D02714
3683,D05380, Pazopanib hydrochloride (JAN/USAN), Protein kinase inhibitors,L01XE11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(c(cc(c1)Nc1nccc(n1)N(c1ccc2c(c1)nn(c2C)C)C)S(=O)(=O)N)C,437.51800000000003,4.9931,121.5,127.41,31,2,7,CUIHSIWYWATEQL-UHFFFAOYSA-N,C21H23N7O2S,CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C,"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)",-12.1341,-9.4188,-9.3281,-5.8088,-5.8008,-4.8075,2.3505,2.4056,3.6566,3.6884,3.9011,D05380_L01XE11,e040010000000042040846200c804000c800010080080702000000c0002010000800600a404880201800051c020008c00020a2100a00600800400012800024000c220c004001308001804000230000040090016004203000c0080000002100008008000010a004020240020008020c030006b90800010021080c800016000000,0000000000b021,010000000000000000000000000000010000000000009800000024000000000000004640403800,0000008121004c9e15959db03283900bd6b179e81f,0,22,33,2,0,5,54,57,-8.372,-0.816,0,2.0,0.47508606299999995,+,2.3364,-,2.3364,https://www.genome.jp/dbget-bin/www_bget?dr:D05380
3684,D06407, Vandetanib (JAN/USAN/INN), Protein kinase inhibitors,L01XE12,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[N@@H+]1(CC[C@H](CC1)COc1c(cc2c(c1)ncnc2Nc1ccc(cc1F)Br)OC)C,476.36199999999997,5.2293,124.225,60.71,30,2,4,UHTHHESEBZOYNR-UHFFFAOYSA-O,C22H25BrFN4O2+,COc1cc2c(ncnc2cc1OCC1CC[NH+](CC1)C)Nc1ccc(cc1F)Br,"InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)/p+1",-6.0366,-4.6264,-4.6107,-4.5928,-3.4189999999999996,-3.1385,1.4622,1.5797,1.5831,1.5956,2.2356,D06407_L01XE12,c00a20080800004008804600088200008100001000022602000000000020000010001000404080212800041800004040010626100a00600808400010000404000ca00c024100001100104000364080040090015004003001c0080000002100000a0800201080080610400002001014080007290a0c0210200c80000102400004,0100000050f021,060042020400000000000000000000010000000000189000000000000000000000004600c03a04,0000000020220100819472149b55ade375e3fdfd1f,1,17,41,0,0,6,55,58,-10.632,-4.06,0,1.0,0.65774262,+,1.2399,-,1.2399,https://www.genome.jp/dbget-bin/www_bget?dr:D06407
3685,D09724, Afatinib (USAN/INN), Protein kinase inhibitors,L01XE13,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)cc(c(c2)NC(=O)/C=C/C[NH+](C)C)O[C@H]1CCOC1)Nc1cc(c(cc1)F)Cl,486.94599999999997,3.1188,131.154,89.81,33,3,6,ULXXDDBFHOBEHA-CWDCEQMOSA-O,C24H26ClFN5O3+,C[NH+](CC=CC(=O)Nc1cc2c(ncnc2cc1OC1COCC1)Nc1ccc(c(c1)Cl)F)C,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/p+1/b4-3+/t16-/m0/s1",-6.0445,-5.845,-4.6231,-4.5987,-4.196000000000001,-3.4891,1.8416,1.8586,1.9241,2.011,2.2515,D09724_L01XE13,c0022200000000440180460008820000a100c0004000402200100008002400001080000a4060c025281f041800001040054426100a00610908410010000004200c640c004100280101105100068080060898006004003c014008000120210101480c00001080000e10400002001004810006090a080010220890800022c20004,0500000070f021,1280420204000000000080000a00000100010000000c9000000000000000000000004641c37a04,0000000020020101819276dd5f35b5637de3ffff1f,1,17,44,2,0,9,60,63,-10.763,-4.652,1,1.0,0.631031156,+,2.2702,-,2.2702,https://www.genome.jp/dbget-bin/www_bget?dr:D09724
3686,D09733, Afatinib dimaleate (USAN), Protein kinase inhibitors,L01XE13,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)cc(c(c2)NC(=O)/C=C/C[NH+](C)C)O[C@H]1CCOC1)Nc1cc(c(cc1)F)Cl,486.94599999999997,3.1188,131.154,89.81,33,3,6,ULXXDDBFHOBEHA-CWDCEQMOSA-O,C24H26ClFN5O3+,C[NH+](CC=CC(=O)Nc1cc2c(ncnc2cc1OC1COCC1)Nc1ccc(c(c1)Cl)F)C,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/p+1/b4-3+/t16-/m0/s1",-6.0604,-5.8546,-4.6339,-4.6069,-4.218999999999999,-3.4978,1.8412,1.8447,1.905,2.0355,2.2466,D09733_L01XE13,c0022200000000440180460008820000a100c0004000402200100008002400001080000a4060c025281f041800001040054426100a00610908410010000004200c640c004100280101105100068080060898006004003c014008000120210101480c00001080000e10400002001004810006090a080010220890800022c20004,0500000070f021,1280420204000000000080000a00000100010000000c9000000000000000000000004641c37a04,0000000020020101819276dd5f35b5637de3ffff1f,1,17,44,2,0,9,60,63,-10.640999999999998,-4.652,1,0.0,0.635915279,+,2.2702,-,2.2702,https://www.genome.jp/dbget-bin/www_bget?dr:D09733
3687,D03252, Bosutinib (USAN), Protein kinase inhibitors,L01XE14,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(c(c2c(n1)cc(c(c2)OC)OCCC[N@@H+]1CC[N@@H+](CC1)C)Nc1c(cc(c(c1)OC)Cl)Cl)C#N,532.462,5.56758,152.58,85.28,37,3,5,UBPYILGKFZZVDX-UHFFFAOYSA-P,C26H31Cl2N5O3++,COc1cc2c(cc1OCCC[NH+]1CC[NH+](CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)/p+2",-6.0292,-5.9824,-4.5571,-4.5536,-4.5501,-4.5105,1.5873,1.5889,1.5983,2.3549,2.3697,D03252_L01XE14,400222020000040008042600088240088010000000851c0a008c00800120040010004082a10580210881043800000040002606000200a00804040002000064000ca00c0241000201002440082648800200880240040031004108810000200000480000081080080620000002201004001006a104084110200800008002800004,0100000050f031,020042120400000000000000000000001000000000049000000000000000000000004680c03204,000000000001210081c47216db55ade37df3fffd1f,0,17,52,0,1,9,67,70,-12.235,-8.703,0,,3.49922e-05,-,1.7414,-,1.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D03252
3688,D09728, Bosutinib hydrate (JAN), Protein kinase inhibitors,L01XE14,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(c(c2c(n1)cc(c(c2)OC)OCCC[N@@H+]1CC[N@@H+](CC1)C)Nc1c(cc(c(c1)OC)Cl)Cl)C#N,532.462,5.56758,152.58,85.28,37,3,5,UBPYILGKFZZVDX-UHFFFAOYSA-P,C26H31Cl2N5O3++,COc1cc2c(cc1OCCC[NH+]1CC[NH+](CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)/p+2",-6.0169,-5.9984,-4.5887,-4.5766,-4.5303,-4.5269,1.6058,1.6129,1.6378,2.345,2.3459,D09728_L01XE14,400222020000040008042600088240088010000000851c0a008c00800120040010004082a10580210881043800000040002606000200a00804040002000064000ca00c0241000201002440082648800200880240040031004108810000200000480000081080080620000002201004001006a104084110200800008002800004,0100000050f031,020042120400000000000000000000001000000000049000000000000000000000004680c03204,000000000001210081c47216db55ade37df3fffd1f,0,17,52,0,1,9,67,70,-11.898,-8.6,0,0.0,4.46584e-05,-,1.7414,-,1.7414,https://www.genome.jp/dbget-bin/www_bget?dr:D09728
3689,D09996, Vemurafenib (JAN/USAN/INN), Protein kinase inhibitors,L01XE15,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)c1cc2c(nc1)[nH]cc2C(=O)c1c(c(ccc1F)NS(=O)(=O)CCC)F)Cl,489.92199999999997,6.6979999999999995,124.214,100.3,23,2,5,GPXBXXGIAQBQNI-UHFFFAOYSA-N,C23H18ClF2N3O3S,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F,"InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)",-8.6435,-8.5035,-8.4755,-4.4301,-3.8088,-1.5977,1.4324,1.9115,2.3907,2.7558,2.7977,D09996_L01XE15,e0060301004204c002804600824041004d00004040820408004008a0812004003c00449200008030208f0288000000c00240205000042004040000122006030104000e90401008800110c400448c0082008800c004240029400809000001400004000001002002001840400400100c80100231420241100000188005c2a00008,1400000000b001,0300000000000100000000000000000040070000000c9400000024000000000000004640403800,000000802102443a1511c4a2f3c7b609fea1efef1f,2,22,29,3,0,7,51,54,-9.281,-1.482,0,1.0,0.9876383540000001,+,25.8046,-,25.8046,https://www.genome.jp/dbget-bin/www_bget?dr:D09996
3690,D09731, Crizotinib (JAN/USAN/INN), Protein kinase inhibitors,L01XE16,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc(c(n1)N)O[C@@H](c1c(ccc(c1Cl)F)Cl)C)c1cnn(c1)C1CC[NH2+]CC1,451.345,6.1619,121.682,82.57,27,2,5,KTEIFNKAUNYNJU-GFCCVEGCSA-O,C21H23Cl2FN5O+,Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CC[NH2+]CC1,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/p+1/t12-/m1/s1",-5.7064,-5.7006,-5.1535,-5.095,-4.3951,-4.3945,1.5618,1.5830000000000002,1.5835,1.7783,2.5859,D09731_L01XE16,600e0200001008401380060008024000410000108802208802320880012485001090f002010880213081031c201400c0031222000000680404004082c01012000c400c82010002018014850806188002008805500c002408c02908000001200000002000000008003c60000400101ca01006010288411060080c404106800004,0100000050f021,0300420904000000000000000000000100000000000c9800000000000000000000000600c02a04,000000002002092001946ee4ca44a1eb75e3edb91f,1,17,39,0,0,5,53,56,-10.172,-4.237,1,0.0,0.097712182,+,1.3403,-,1.3403,https://www.genome.jp/dbget-bin/www_bget?dr:D09731
3691,D03218, Axitinib (JAN/USAN), Protein kinase inhibitors,L01XE17,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(ccc2c(c1)[nH]nc2/C=C\c1ncccc1)Sc1c(cccc1)C(=O)NC,386.47,5.03,112.82,95.97,23,2,5,RITAVMQDGBJQJZ-XFXZXTDPSA-N,C22H18N4OS,CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2C=Cc1ccccn1,"InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9-",-4.157,-3.8388,-3.6428,-2.2729,-2.2351,-2.1914,0.9524,1.0878,1.1485,1.2312,1.4031,D03218_L01XE17,2042110000000484010006000403c100000200c04020420001000092002010001d006100010880200886021e000000d0000022000004621004000002081424040c200402820002900000400002880210008000600401200040080000000200000854000a800002c222002c0020002401001e111000410220080a800102000000,0400000000b101,1000100000000000000080000a0000004001000000009400000000000000000000004640433800,0000000000000884118085b81621900904a161aa1f,0,22,25,2,0,6,46,49,-8.413,-0.517,0,,0.938295186,+,1.2355,-,1.2355,https://www.genome.jp/dbget-bin/www_bget?dr:D03218
3692,D09959, Ruxolitinib (USAN/INN), Protein kinase inhibitors,L01XE18,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)[nH]cc2)c1cn(nc1)[C@H](CC#N)C1CCCC1,306.365,3.4663800000000005,87.6557,83.18,22,1,5,HFNKQEVNSGCOJV-OAHLLOKOSA-N,C17H18N6,N#CCC(n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",-3.1144,-2.8560000000000003,-2.4746,-2.3883,-2.3824,-1.0888,0.9343,1.0615,1.3477,1.3559999999999999,1.4044,D09959_L01XE18,a004004000020ac001804e010c0040004000001000000000000000800300010014015002412c802170800318000000c0033022000020680404204082400042000c000c888000020000009000001c0082000801600c00000080000000004300000000100000000000086000000000082010068400800108200808814106000100,00000000003011,060000000000000000000000000000001000000000009c00000000000000000000004600403805,0000000020010820019404a01241a08b01214c2c17,0,15,28,0,1,4,41,44,-8.815,-0.326,1,0.0,0.19238208199999998,+,1.474,-,1.474,https://www.genome.jp/dbget-bin/www_bget?dr:D09959
3693,D09960, Ruxolitinib phosphate (JAN/USAN), Protein kinase inhibitors,L01XE18,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1nc(c2c(n1)[nH]cc2)c1cn(nc1)[C@H](CC#N)C1CCCC1,306.365,3.4663800000000005,87.6557,83.18,22,1,5,HFNKQEVNSGCOJV-OAHLLOKOSA-N,C17H18N6,N#CCC(n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",-3.1179,-2.8561,-2.4635,-2.3945,-2.3761,-1.069,0.9347,1.025,1.0645,1.3584,1.3591,D09960_L01XE18,a004004000020ac001804e010c0040004000001000000000000000800300010014015002412c802170800318000000c0033022000020680404204082400042000c000c888000020000009000001c0082000801600c00000080000000004300000000100000000000086000000000082010068400800108200808814106000100,00000000003011,060000000000000000000000000000001000000000009c00000000000000000000004600403805,0000000020010820019404a01241a08b01214c2c17,0,15,28,0,1,4,41,44,-8.814,-0.32899999999999996,1,0.0,0.192377612,+,1.474,-,1.474,https://www.genome.jp/dbget-bin/www_bget?dr:D09960
3694,D08900, Ridaforolimus (JAN/USAN), Protein kinase inhibitors,L01XE19,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)OP(=O)(C)C)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,990.206,7.6805,271.879,211.31,99,2,15,BUROJSBIWGDYCN-GAUTUEMISA-N,C53H84NO14P,COC1CC(CCC1OP(=O)(C)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",-6.5360000000000005,-4.7534,-4.3956,-4.2834,-4.2569,-4.1629,2.104,2.2002,2.3161,2.4233,2.8569999999999998,D08900_L01XE19,10a200000040a2240702048040020000014001b000c0c00200040000011420101e00100880a04017100e04112000040001a200029020c003000000802800aa100c3a28080c14088022008a020a80021600f0015000222040a880100140400004020400284048000001002000c0000cc000070180180d90028850048140040100,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000080020000c47a432805,0000001000000201800a305f2fe9bcef8f5dbfff1d,0,0,146,10,0,8,153,156,-8.494,-0.747,15,1.0,0.976693928,-,10.182,-,10.182,https://www.genome.jp/dbget-bin/www_bget?dr:D08900
3695,D10138, Regorafenib (USAN/INN), Protein kinase inhibitors,L01XE21,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc(cc1)NC(=O)Nc1c(cc(cc1)Oc1ccnc(c1)C(=O)NC)F)C(F)(F)F)Cl,482.815,6.2257,112.441,92.35,22,3,7,FNHKPVJBJVTLMP-UHFFFAOYSA-N,C21H15ClF4N4O3,CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl,"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)",-4.6133,-4.1993,-4.1887,-4.1756,-4.1704,-3.9599,1.9357,2.0129,2.0814,2.2081,2.3736,D10138_L01XE21,004226021004148001800600848340008100209040000c0000020080002014000480440000208220008702080021404010000600002028080400000200040c000c0104224140020100101009278800020488004004002900508800000040000009300002000408021000100020100404400e0112084310200808004406800000,0400000090b041,0001040000000000000080000a00000000410400000c9000000000000000000000000640602800,00000000100600000150405843a61161f4e1e3fa1f,4,18,30,2,0,9,48,50,-9.665,-0.682,0,0.0,0.958206773,-,1.6601,-,1.6601,https://www.genome.jp/dbget-bin/www_bget?dr:D10138
3696,D10137, Regorafenib hydrate (JAN), Protein kinase inhibitors,L01XE21,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc(cc1)NC(=O)Nc1c(cc(cc1)Oc1ccnc(c1)C(=O)NC)F)C(F)(F)F)Cl,482.815,6.2257,112.441,92.35,22,3,7,FNHKPVJBJVTLMP-UHFFFAOYSA-N,C21H15ClF4N4O3,CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl,"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)",-4.6004,-4.1941,-4.1755,-4.1722,-4.1236,-3.9973,1.9511,2.0307,2.0573,2.1711,2.3422,D10137_L01XE21,004226021004148001800600848340008100209040000c0000020080002014000480440000208220008702080021404010000600002028080400000200040c000c0104224140020100101009278800020488004004002900508800000040000009300002000408021000100020100404400e0112084310200808004406800000,0400000090b041,0001040000000000000080000a00000000410400000c9000000000000000000000000640602800,00000000100600000150405843a61161f4e1e3fa1f,4,18,30,2,0,9,48,50,-9.66,-0.6809999999999999,0,0.0,0.95819068,-,1.6601,-,1.6601,https://www.genome.jp/dbget-bin/www_bget?dr:D10137
3697,D10064, Dabrafenib (USAN), Protein kinase inhibitors,L01XE23,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cccc1F)F)S(=O)(=O)Nc1cccc(c1F)c1nc(sc1c1ccnc(n1)N)C(C)(C)C,519.562,7.0999,129.238,147.48,27,2,8,BFSMGDJOXZAERB-UHFFFAOYSA-N,C23H20F3N5O2S2,Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",-9.3866,-9.3009,-9.2607,-6.7809,-5.1315,-5.0948,2.9886,3.2068,3.3851,3.4382,3.4987,D10064_L01XE23,f102012020080460029066249e455c006d120000080a20010000188c83118502180141184868e42580080a4d000800c001602080180040048060001200a6060204800e8047302ee001103100d00c0407108a00f084aa03005148410000850000c890091c8120404030404310040000011006b512070b1001110881005a000b00,0000000000b021,09000008000000000000000000000000000000000008d000000024000000000000000640402800,00000081094244be1793cda022869009f6b179e81f,3,23,33,2,0,6,55,58,-9.056000000000001,-1.715,0,0.0,0.990840733,+,2.7907,-,2.7907,https://www.genome.jp/dbget-bin/www_bget?dr:D10064
3698,D10104, Dabrafenib mesylate (USAN), Protein kinase inhibitors,L01XE23,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cccc1F)F)S(=O)(=O)Nc1cccc(c1F)c1nc(sc1c1ccnc(n1)N)C(C)(C)C,519.562,7.0999,129.238,147.48,27,2,8,BFSMGDJOXZAERB-UHFFFAOYSA-N,C23H20F3N5O2S2,Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",-9.395,-9.309,-9.2645,-6.7573,-5.1279,-5.1278,2.4352,2.738,2.8247,3.4645,3.4654,D10104_L01XE23,f102012020080460029066249e455c006d120000080a20010000188c83118502180141184868e42580080a4d000800c001602080180040048060001200a6060204800e8047302ee001103100d00c0407108a00f084aa03005148410000850000c890091c8120404030404310040000011006b512070b1001110881005a000b00,0000000000b021,09000008000000000000000000000000000000000008d000000024000000000000000640402800,00000081094244be1793cda022869009f6b179e81f,3,23,33,2,0,6,55,58,-9.048,-1.712,0,1.0,0.98965317,+,2.7907,-,2.7907,https://www.genome.jp/dbget-bin/www_bget?dr:D10104
3699,D09950, Ponatinib (USAN/INN), Protein kinase inhibitors,L01XE24,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[N@H+]1(CC[N@@H+](CC1)C)Cc1c(cc(cc1)NC(=O)c1cc(c(cc1)C)C#Cc1cnc2n1nccc2)C(F)(F)F,534.575,4.8332,152.026,68.17,33,3,5,PHXJVRSECIGDHY-UHFFFAOYSA-P,C29H29F3N6O++,C[NH+]1CC[NH+](CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/p+2",-6.0232,-6.0168,-5.8293,-4.5679,-4.5531,-4.553,2.0264,2.0561,2.3495,2.3614,3.4197,D09950_L01XE24,00c72000000016c041006600048140088008009000428048000004c00404340004006002232881210086822c20001244100026400220200804008002008024080c200c0a4004060100a030410288008004c8006004802940510801000001000000180002000600140600000061b04805900629dc0a1d106008480a0002420010,0500000000f001,2101400204000000000080000a00000000010000000098000000000000000000000046c0e02a04,000001002002290001d436bc9ae7bc8b75a37daf1f,3,22,48,1,1,6,68,72,-11.107000000000001,-8.401,0,1.0,,-,2.3924,-,2.3924,https://www.genome.jp/dbget-bin/www_bget?dr:D09950
3700,D09951, Ponatinib hydrochloride (JAN/USAN), Protein kinase inhibitors,L01XE24,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[N@H+]1(CC[N@@H+](CC1)C)Cc1c(cc(cc1)NC(=O)c1cc(c(cc1)C)C#Cc1cnc2n1nccc2)C(F)(F)F,534.575,4.8332,152.026,68.17,33,3,5,PHXJVRSECIGDHY-UHFFFAOYSA-P,C29H29F3N6O++,C[NH+]1CC[NH+](CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/p+2",-6.0139,-5.9897,-5.8511,-4.8487,-4.5766,-4.5698,2.1548,2.3469,2.3586,2.9027,3.4354,D09951_L01XE24,00c72000000016c041006600048140088008009000428048000004c00404340004006002232881210086822c20001244100026400220200804008002008024080c200c0a4004060100a030410288008004c8006004802940510801000001000000180002000600140600000061b04805900629dc0a1d106008480a0002420010,0500000000f001,2101400204000000000080000a00000000010000000098000000000000000000000046c0e02a04,000001002002290001d436bc9ae7bc8b75a37daf1f,3,22,48,1,1,6,68,72,-11.107999999999999,-8.406,0,1.0,5.06129e-05,-,2.3924,-,2.3924,https://www.genome.jp/dbget-bin/www_bget?dr:D09951
3701,D10175, Trametinib (USAN), Protein kinase inhibitors,L01XE25,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(=O)n(c(c1c(=O)n(c(=O)n2c1cc(ccc1)NC(=O)C)C1CC1)Nc1ccc(cc1F)I)C)C,615.395,4.0861,149.586,107.13,29,2,8,LIRYPHYGHXZJBZ-UHFFFAOYSA-N,C26H23FIN5O4,CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",-4.5793,-4.1195,-4.1057,-3.7627,-3.404,-3.2566,1.4837,1.6623,1.6811,1.6834,1.9242,D10175_L01XE25,c006000004002c404988461008c0c004a9000500c084802e000010c000000c0210047081456880217086041cc00055c00000e0500201600804c0009248048408cc240c00c00834100090f00740980000008005400c00380de00800c0012100060010000012b000005040000a42100c08100709028c4310000d0a800026400000,0400000000b021,0300000000000000000080002a0000004043040000288900000000000000000000004640403800,00002004300200200194501913679143f4f97fea1f,1,23,37,4,0,6,60,64,-8.779,-1.359,0,-2.0,0.960615098,-,4.0338,-,4.0338,https://www.genome.jp/dbget-bin/www_bget?dr:D10175
3702,D10176, Trametinib dimethyl sulfoxide (JAN/USAN, Protein kinase inhibitors,L01XE25,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(=O)n(c(c1c(=O)n(c(=O)n2c1cc(ccc1)NC(=O)C)C1CC1)Nc1ccc(cc1F)I)C)C,615.395,4.0861,149.586,107.13,29,2,8,LIRYPHYGHXZJBZ-UHFFFAOYSA-N,C26H23FIN5O4,CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",-4.5817,-4.107,-4.1012,-3.8202,-3.4094,-3.2279,1.4719,1.6675,1.6852,1.7630000000000001,1.9199,D10176_L01XE25,c006000004002c404988461008c0c004a9000500c084802e000010c000000c0210047081456880217086041cc00055c00000e0500201600804c0009248048408cc240c00c00834100090f00740980000008005400c00380de00800c0012100060010000012b000005040000a42100c08100709028c4310000d0a800026400000,0400000000b021,0300000000000000000080002a0000004043040000288900000000000000000000004640403800,00002004300200200194501913679143f4f97fea1f,1,23,37,4,0,6,60,64,-8.857999999999999,-1.399,0,-1.0,0.96067518,-,4.0338,-,4.0338,https://www.genome.jp/dbget-bin/www_bget?dr:D10176
3703,D10062, Cabozantinib (USAN), Protein kinase inhibitors,L01XE26,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(ccn1)Oc1ccc(cc1)NC(=O)C1(C(=O)Nc3ccc(cc3)F)CC1)cc(c(c2)OC)OC,501.506,5.6868,136.58700000000002,98.78,32,2,8,ONIQOQHATWINJY-UHFFFAOYSA-N,C28H24FN3O5,COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F,"InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)",-4.2959,-4.2219999999999995,-3.5723,-3.5684,-2.8838,-2.8773,1.4418,1.6236,1.6349,1.9277,1.9285,D10062_L01XE26,000220020004040019800600008200008100201000000c00000000000020000010000080002080200886001800005060010826001020200804000000000004000c800400410002010010500126c8000c0090005004002800e0090000000100000800000000000806102000000010042100060002084010200800000002400000,04000000d0b001,0a00060000000000000080000a0000000000000000089000000000000000000000004600402800,00002000000210008380401f13a51161f4e9f7fa1f,1,23,40,2,0,10,61,65,-8.997,-0.79,0,0.0,0.97434634,+,3.7569,-,3.7569,https://www.genome.jp/dbget-bin/www_bget?dr:D10062
3704,D09919, Lenvatinib (USAN/INN), Protein kinase inhibitors,L01XE29,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc2c(c1)nccc2Oc1cc(c(cc1)NC(=O)NC1CC1)Cl)C(=O)N)OC,426.853,5.2361,112.859,115.57,27,3,8,WOSKHXYHFSIKNG-UHFFFAOYSA-N,C21H19ClN4O4,COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1,"InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)",-4.6125,-4.5588,-4.2224,-4.2204,-4.1862,-3.9473,1.8347,1.8452,1.9406,1.9656,2.11,D09919_L01XE29,00422200000404800100060000834000800020000008260000040080002011001c004280002082200887071800014040000806000020200804004002000004000c2004004100000102005001269800020088004004002800400800000000000009340008040004960001020000100400001e0100094110200898020006800000,04000000d0b041,020006000000000000008000060000004041040000049000000000000000000000004640402800,00002000100400000110481fd3671161f4e9e7fa1f,0,17,33,2,0,8,49,52,-9.214,-0.885,0,1.0,0.865104496,+,1.7024,-,1.7024,https://www.genome.jp/dbget-bin/www_bget?dr:D09919
3705,D09920, Lenvatinib mesylate (USAN), Protein kinase inhibitors,L01XE29,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc2c(c1)nccc2Oc1cc(c(cc1)NC(=O)NC1CC1)Cl)C(=O)N)OC,426.853,5.2361,112.859,115.57,27,3,8,WOSKHXYHFSIKNG-UHFFFAOYSA-N,C21H19ClN4O4,COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1,"InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)",-4.5837,-4.5633,-4.2239,-4.2219,-4.1852,-3.9656,1.8253,1.845,1.9421,1.9704,2.1005,D09920_L01XE29,00422200000404800100060000834000800020000008260000040080002011001c004280002082200887071800014040000806000020200804004002000004000c2004004100000102005001269800020088004004002800400800000000000009340008040004960001020000100400001e0100094110200898020006800000,04000000d0b041,020006000000000000008000060000004041040000049000000000000000000000004640402800,00002000100400000110481fd3671161f4e9e7fa1f,0,17,33,2,0,8,49,52,-9.221,-0.883,0,1.0,0.8651129009999999,+,1.7024,-,1.7024,https://www.genome.jp/dbget-bin/www_bget?dr:D09920
3706,D08881, Cediranib (USAN/INN), Protein kinase inhibitors,L01XE32,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(ncnc2Oc2c(c3c(cc2)[nH]c(c3)C)F)cc(c(c1)OC)OCCC[NH+]1CCCC1,451.51300000000003,5.3763,130.32,73.7,33,2,5,XXJWYDDUDKYVKI-UHFFFAOYSA-O,C25H28FN4O3+,COc1cc2c(ncnc2cc1OCCC[NH+]1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C,"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3/p+1",-6.0349,-4.6042,-4.5834,-4.5687,-3.1484,-3.1418,1.44,1.5411,1.5589,1.5662,1.5731,D08881_L01XE32,c022200a0056044008804700240200000300201000000a00000000800120000110004080e00080212880043800004241010a16000020e0000c000002000820000da01c024118020100104000064880000080004004002001d0082080000100000800002000040806304000022010048000062152080110201800000002400004,01000000d0f001,030046020400000000000000000004000000000000089400000000000000000000004600c02200,00000000000201008194769e9b75b1e32de3fffd1f,1,21,44,0,0,8,61,65,-9.83,-3.97,0,-1.0,0.631997406,+,2.2129,-,2.2129,https://www.genome.jp/dbget-bin/www_bget?dr:D08881
3707,D08883, Cediranib maleate (JAN/USAN), Protein kinase inhibitors,L01XE32,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(ncnc2Oc2c(c3c(cc2)[nH]c(c3)C)F)cc(c(c1)OC)OCCC[NH+]1CCCC1,451.51300000000003,5.3763,130.32,73.7,33,2,5,XXJWYDDUDKYVKI-UHFFFAOYSA-O,C25H28FN4O3+,COc1cc2c(ncnc2cc1OCCC[NH+]1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C,"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3/p+1",-6.0308,-4.6041,-4.5867,-4.5002,-3.1793,-3.1722,1.4447,1.5016,1.5612,1.5715,1.574,D08883_L01XE32,c022200a0056044008804700240200000300201000000a00000000800120000110004080e00080212880043800004241010a16000020e0000c000002000820000da01c024118020100104000064880000080004004002001d0082080000100000800002000040806304000022010048000062152080110201800000002400004,01000000d0f001,030046020400000000000000000004000000000000089400000000000000000000004600c02200,00000000000201008194769e9b75b1e32de3fffd1f,1,21,44,0,0,8,61,65,-9.828,-3.97,0,0.0,0.631960869,+,2.2129,-,2.2129,https://www.genome.jp/dbget-bin/www_bget?dr:D08883
3708,D09683, Tivozanib (USAN/INN), Protein kinase inhibitors,L01XE34,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc2c(c1)nccc2Oc1cc(c(cc1)NC(=O)Nc1cc(on1)C)Cl)OC)OC,454.86300000000006,5.7841,120.001,107.74,27,2,9,SPMVMDHWKHCIDT-UHFFFAOYSA-N,C22H19ClN4O5,COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C,"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)",-4.6632,-3.9395,-3.5881,-2.8759,-2.6075,-2.0687,1.4196,1.6747,1.8172,1.8236,1.8276,D09683_L01XE34,204022420004040009000600188200008100611820000c02000400000020140080000a8000208220088500080021c04000081600002020080404000200040c020e801401410000014210500827ca00022088004004003800500800000041060009200009000008960001000000100404421a004208431a200800020006800000,00000000d0b041,01000600000000000000000000000001004004000004b000000000000000000000004600403800,0000000030040001c19044f07327916974f9f3fa1f,0,22,31,1,0,8,51,54,-8.83,-0.71,0,1.0,0.840775967,+,1.7331,-,1.7331,https://www.genome.jp/dbget-bin/www_bget?dr:D09683
3709,D10190, Tivozanib hydrochloride (USAN), Protein kinase inhibitors,L01XE34,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(cc2c(c1)nccc2Oc1cc(c(cc1)NC(=O)Nc1cc(on1)C)Cl)OC)OC,454.86300000000006,5.7841,120.001,107.74,27,2,9,SPMVMDHWKHCIDT-UHFFFAOYSA-N,C22H19ClN4O5,COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C,"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)",-4.5773,-3.9965,-3.5761,-2.863,-2.6015,-2.0637,1.4162,1.675,1.8314,1.8347,1.8619999999999999,D10190_L01XE34,204022420004040009000600188200008100611820000c02000400000020140080000a8000208220088500080021c04000081600002020080404000200040c020e801401410000014210500827ca00022088004004003800500800000041060009200009000008960001000000100404421a004208431a200800020006800000,00000000d0b041,01000600000000000000000000000001004004000004b000000000000000000000004600403800,0000000030040001c19044f07327916974f9f3fa1f,0,22,31,1,0,8,51,54,-8.969,-0.774,0,0.0,0.85351795,+,1.7331,-,1.7331,https://www.genome.jp/dbget-bin/www_bget?dr:D10190
3710,D02321, Amsacrine (USAN/INN), Other antineoplastic agents,L01XX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)c(c1c(n2)cccc1)Nc1ccc(cc1OC)NS(=O)(=O)C,393.459,5.7385,113.554,88.7,25,2,5,XCPGHVQEEXUHNC-UHFFFAOYSA-N,C21H19N3O3S,COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",-8.6998,-8.5547,-8.5246,-4.4943,-3.3945,-2.0787,1.2591,1.4337,2.4013,2.7511,2.7952,D02321_L01XX01,600101000000040000000600088200008c00000000800022000000008000000000008080000080200888040800000040004402000200200800000000000004000c4006004100088101004008020c00000080004004a03080400800200020000000000000108000020000000000100480000230000a4400200810008002000000,0000000050b021,000042100000000000000000000000000000000000009000000024000000000000004600403800,000000800100441a1581807033831169d6e1fbf81f,0,22,26,2,0,5,47,50,-8.112,-1.3880000000000001,0,0.0,0.816256106,+,1.1055,-,1.1055,https://www.genome.jp/dbget-bin/www_bget?dr:D02321
3711,D02841, Altretamine (USP/INN), Other antineoplastic agents,L01XX03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(nc(nc(n1)N(C)C)N(C)C)N(C)C,210.27900000000002,0.0696,62.448,48.39,24,0,6,UUVWYPNAQBNQJQ-UHFFFAOYSA-N,C9H18N6,CN(c1nc(nc(n1)N(C)C)N(C)C)C,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,-6.2009,-6.1969,-6.1935,-4.85,-4.8467,-4.8452,3.1881,3.1885,3.1905,3.2911,3.2917,D02841_L01XX03,0000000000000080000044000800000040000000000000000000000000000000040000000040006000000000000000000000200000000000004000000010000004000810000000000000000000000004001000000000200000000000000100008008000000000000000000000000000200000000000000000000000000000000,00000000003021,000000000000000000000000000000000000000000009000000000000000000000000600402000,00000001000000000192301002028003503118a817,0,6,27,0,0,3,33,33,-8.851,1.097,0,,0.001529339,+,0.9533,-,0.9533,https://www.genome.jp/dbget-bin/www_bget?dr:D02841
3712,D00341, Hydroxyurea (USP), Other antineoplastic agents,L01XX05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(=O)(NO)N,76.0547,0.1351,13.7486,75.35,8,3,4,VSNHCAURESNICA-UHFFFAOYSA-N,CH4N2O2,NC(=O)NO,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",-5.8392,-4.6332,-4.2088,-4.2075,-2.8808,-2.0785,1.7892,1.8367,1.8502,1.9062,1.9884,D00341_L01XX05,0000000000000000040004000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000010000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000080000000000801000000000000000,0000000000a040,000000000000000000000000000000000040000000000000000000000000000000000000402800,0000800010042000d8100860202210080424406a09,0,0,7,1,0,1,9,8,-10.513,0.9890000000000001,0,,0.000100357,-,1.1168,-,1.1168,https://www.genome.jp/dbget-bin/www_bget?dr:D00341
3713,D07257, Lonidamine (INN), Other antineoplastic agents,L01XX07,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)c(nn2Cc1c(cc(cc1)Cl)Cl)C(=O)O,321.158,4.0896,82.4613,55.12,12,1,4,WDRYRZXSPDWGEB-UHFFFAOYSA-N,C15H10Cl2N2O2,Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)",-5.531000000000001,-5.4243,-3.3657,-2.552,-2.3513,-1.6708,1.2344,1.6059999999999999,1.6233,2.3511,2.4976,D07257_L01XX07,20410200000004c00900060004010005000000000080060002020080006010000400708305488001788b071c00080000000022000000600000008003081821080c200c00000004000004e000469800020088014008001000c008000000039000083000000080000222c0000040000c010007010080010820081e000004800000,0400000c00b003,000000000000000000008800000000000001000000049800000000000000000000004640402800,0000000000000800018444e05945800f20a5297f1f,0,16,16,1,0,3,31,33,-4.761,2.055,0,2.0,0.00040109,+,0.5497,-,0.5497,https://www.genome.jp/dbget-bin/www_bget?dr:D07257
3714,D00155, Pentostatin (JAN/USAN/INN), Other antineoplastic agents,L01XX08,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(C[C@@H]([C@H](O1)CO)O)n1c2[NH]=CNC[C@H](c2nc1)O,269.277,-1.2012,73.0468,123.62,24,5,7,YWHOXUUDRRYUJU-JQCXWYLXSA-N,C11H17N4O4,OCC1OC(CC1O)n1cnc2c1[NH]=CNCC2O,"InChI=1S/C11H17N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,12-13,16-18H,1-3H2/t6-,7+,8+,9+/m0/s1",-5.0538,-4.821000000000001,-3.7887,-3.7726,-3.675,-3.1489999999999996,1.8207,1.9452,2.1202,2.2254,2.7030000000000003,D00155_L01XX08,08830020000008c00000c6001d06000460100010000080400282006010142c1014047018050000275020a11020280884011020c41050c01b0000008b209820000c805c1080100a150811980300120000209a014408802034b6028d0140034000020800048028500000840000e0031a0438048181002010000010400146000008,0000003c30b021,023800000000000000008000000000000000000000009800000000000000000000004641433804,000004002004302181f416cf9971d0c35defea7d1b,0,5,32,1,0,2,36,38,-12.362,-5.729,4,1.0,2.55164e-05,+,0.9622,-,0.9622,https://www.genome.jp/dbget-bin/www_bget?dr:D00155
3715,D02494, Miltefosine (INN), Other antineoplastic agents,L01XX09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(CCCCCCCCCCCCCO[P@](=O)(OCC[N+](C)(C)C)O)CC,408.57599999999996,6.3075,117.431,65.57,50,1,4,PQLXHQMOHUQAKB-UHFFFAOYSA-O,C21H47NO4P+,CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)O,"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3/p+1",-10.5407,-10.3669,-7.48,-7.449,-5.5691,-4.8267,2.4903,2.5216,3.0359,3.1537,3.3995,D02494_L01XX09,008201000000420004000400000000000000010000000002000000000000000010000000000000230008000400000000033000000020402000008000a0000e0008060800000000002000820000000000000000400000200000000000000000000000000040400000000008008400080000060000000100000000000100000000,0100000000e000,030040040400000000000000000000000000000000000000000000000020200000000000c02a04,00000030008001001002305628da2eaa0b1e1ef509,0,0,72,1,0,20,74,73,-8.074,-1.3980000000000001,0,,,-,4.3658,-,4.3658,https://www.genome.jp/dbget-bin/www_bget?dr:D02494
3716,D04862, Masoprocol (USAN/INN), Other antineoplastic agents,L01XX10,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(ccc(c1)C[C@H]([C@H](Cc1cc(c(cc1)O)O)C)C)O)O,302.365,3.5664,88.022,80.92,26,4,4,HCZKYJDFEPMADG-TXEJJXNPSA-N,C18H22O4,CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+",-1.6335,-1.6311,-0.9409,-0.9396,-0.4638,-0.4633,0.4846,0.4849,0.9463,0.9477,1.5063,D04862_L01XX10,0004000000000000020002000200000000000000000012000000008000000000100040000000000000000008000100000102020000200000000000020000000008800000000000000000200002000000008000400000100840080800000800000000000000000002000000400000000000020100020100200800004300000000,0000000406b001,070000000000000000000000000000000000000000030000000000000000000000000200402004,00000000000020008000000400000d4005ccb3d41e,0,12,33,0,0,5,44,45,-8.99,0.413,2,0.0,0.15412353,-,1.6168,+,1.6168,https://www.genome.jp/dbget-bin/www_bget?dr:D04862
3717,D04066, Estramustine (USAN/INN), Other antineoplastic agents,L01XX11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C)OC(=O)N(CCCl)CCCl,440.403,5.182,117.801,49.77,35,1,4,FRPJXPJMRWBBIH-RBRWEJTLSA-N,C23H31Cl2NO3,ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C)CCCl,"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",-5.3243,-5.2252,-1.9391,-1.9236,-1.9212,-1.8461,0.8575,0.8864,0.9467,1.3372,1.3703,D04066_L01XX11,00060210000002800300060102020000000000000000120023000188000000001820400000400011100d000800010000010202000020480200010002000202a008001a00210001010000a020028a0000008000400000300840080800000a000401000000000004020202004000100800000601000a0100600800004300800400,0000002c50b001,8f2800000000000000000000000000000040000100000000000000000000000000004200402004,000040000000000002003086d8eb3de629c6afff1f,0,6,56,1,0,7,60,63,-9.607999999999999,0.0,5,1.0,0.9564532640000001,-,1.5201,-,1.5201,https://www.genome.jp/dbget-bin/www_bget?dr:D04066
3718,D02398, Estramustine phosphate sodium (USAN), Other antineoplastic agents,L01XX11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OP(=O)(O)O)C)OC(=O)N(CCCl)CCCl,520.383,5.2989999999999995,128.711,106.11,37,2,7,ADFOJJHRTBFFOF-RBRWEJTLSA-N,C23H32Cl2NO6P,ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OP(=O)(O)O)C)CCCl,"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1",-10.5727,-10.5081,-10.2472,-7.4464,-5.3725,-5.2682,2.4274,3.0482,3.1630000000000003,3.5388,5.0663,D02398_L01XX11,00860210000042800700060102020000000001000000120223000188000000001820400000400011100d000c00010000031202000020480200010002200202a008021a00210001012000a220028a0000008000400000300840080800000a000401000000004004020202004004100800000601000a0100600800004300800400,0000000050b001,8f0000000000000000000000000000000040000100000000000000000010200000004200402804,00004010008400001200308478eb3deeafceafff1f,0,6,60,2,0,9,65,68,0.397,2.459,5,,8.092980000000001e-08,-,1.81,-,1.81,https://www.genome.jp/dbget-bin/www_bget?dr:D02398
3719,D06397, Estramustine phosphate sodium hydrate (, Other antineoplastic agents,L01XX11,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OP(=O)(O)O)C)OC(=O)N(CCCl)CCCl,520.383,5.2989999999999995,128.711,106.11,37,2,7,ADFOJJHRTBFFOF-RBRWEJTLSA-N,C23H32Cl2NO6P,ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OP(=O)(O)O)C)CCCl,"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1",-10.5614,-10.4748,-10.2483,-7.5501,-5.3759,-5.071000000000001,2.4329,2.9636,3.1025,3.5653,5.1263,D06397_L01XX11,00860210000042800700060102020000000001000000120223000188000000001820400000400011100d000c00010000031202000020480200010002200202a008021a00210001012000a220028a0000008000400000300840080800000a000401000000004004020202004004100800000601000a0100600800004300800400,0000000050b001,8f0000000000000000000000000000000040000100000000000000000010200000004200402804,00004010008400001200308478eb3deeafceafff1f,0,6,60,2,0,9,65,68,0.37,2.485,5,1.0,8.15417e-08,-,1.81,-,1.81,https://www.genome.jp/dbget-bin/www_bget?dr:D06397
3720,D07258, Mitoguazone (INN), Other antineoplastic agents,L01XX16,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,NC(=[NH2])N/N=C/C(=N/NC(=[NH2])N)/C,186.218,1.1245,53.644,152.86,22,6,6,XJHDQYNISYNXCG-NXOFHUPFSA-N,C5H14N8,CC(=NNC(=[NH2])N)C=NNC(=[NH2])N,"InChI=1S/C5H14N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2,12-13H,6-9H2,1H3/b10-2+,11-3+",-12.5034,-12.5028,-12.5008,-12.4935,-8.1746,-8.1737,3.8508,3.8515,3.8525,3.8548,5.8327,D07258_L01XX16,000000000008300000000c002000400400000040000100400000000000000000100000000000004000000000088008000000000000040000001000100000000000000000000000000000000000000000000000400000010003000000000000000040002100080000000000000020000000080000000000000000000008008000,0000000000a000,0100c0000000000000000000000000000040000000000000000000000000000000000040433801,000000010004080010f0082000024008062040a801,0,0,22,4,0,5,27,26,-16.21,-7.604,0,-2.0,,+,1.6324,-,1.6324,https://www.genome.jp/dbget-bin/www_bget?dr:D07258
3721,D08618, Topotecan (BAN), Other antineoplastic agents,L01XX17,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(=O)c2c(cc3n1Cc1c3nc3c(c1)c(c(cc3)O)C[NH+](C)C)[C@](C(=O)OC2)(CC)O,422.454,0.4297,116.071,106.09,30,3,7,UCFGDBYHRUNTLO-QHCPKHFHSA-O,C23H24N3O5+,CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(c(c4cc3Cn1c2=O)C[NH+](C)C)O,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/p+1/t23-/m0/s1",-6.0324,-5.8719,-4.6266,-4.6245,-4.3928,-4.1454,1.84,1.8730000000000002,2.0534,2.0634,2.1792,D08618_L01XX17,200200c200b804c44a0c060a0d434306754004906000080881ab00c0026404001400708900508035588a001828061141010262500280690404f08896680002080c300d0a40001aa0008061002689008d00d8054004803005f00808700009509e401418020048000240c400007354040010070550004110a1098a000102600000,0500004c32f005,03484002040000000000a000200000000001000000019900000000000000000000004640c03204,000000000000110183c2369f9bb197c78cfffbff1f,0,17,40,2,0,3,55,59,-11.030999999999999,-4.5760000000000005,1,1.0,0.025561864,+,2.2063,-,2.2063,https://www.genome.jp/dbget-bin/www_bget?dr:D08618
3722,D02168, Topotecan hydrochloride (USAN), Other antineoplastic agents,L01XX17,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(=O)n2c(c3c(C2)cc2c(n3)ccc(c2C[NH+](C)C)O)cc2c1COC(=O)[C@@]2(CC)O,422.454,0.4297,116.072,106.09,30,3,7,UCFGDBYHRUNTLO-QHCPKHFHSA-O,C23H24N3O5+,CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(c(c4cc3Cn1c2=O)C[NH+](C)C)O,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/p+1/t23-/m0/s1",-6.0566,-5.8752,-4.6157,-4.6135,-4.4088,-4.1439,1.6805,1.8458,1.8737,2.031,2.1117,D02168_L01XX17,200200c200b804c44a0c060a0d434306754004906000080881ab00c0026404001400708900508035588a001828061141010262500280690404f08896680002080c300d0a40001aa0008061002689008d00d8054004803005f00808700009509e401418020048000240c400007354040010070550004110a1098a000102600000,0500004c32f005,03484002040000000000a000200000000001000000019900000000000000000000004640c03204,000000000000110183c2369f9bb197c78cfffbff1f,0,17,40,2,0,3,55,59,-11.003,-4.622,1,-1.0,0.025688799,+,2.2063,-,2.2063,https://www.genome.jp/dbget-bin/www_bget?dr:D02168
3723,D06130, Tiazofurin (USAN), Other antineoplastic agents,L01XX18,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1([C@H]([C@@H](O[C@@H]1CO)c1nc(cs1)C(=O)N)O)O,260.267,-0.9037,56.8593,154.14,19,4,8,FVRDYQYEVDDKCR-DBRKOABJSA-N,C9H12N2O5S,OCC1OC(C(C1O)O)c1scc(n1)C(=O)N,"InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1",-6.0402,-4.7989999999999995,-4.2254,-4.2136,-2.5532,-2.3268,1.8504,1.8581,1.9268,2.3603,2.4889,D06130_L01XX18,10080120800000a8011c860404020000a4150080100020081008000c0094000210010188881010a580060040212810004180c000182040018000a006008000100c800e0408240a000100800250800000008001d4a18b2900000040a10002020009910100a000000302000000c20028000104013000180002012000090a000200,0400003c30b001,00b80000000100000000800006000000400000000000d000000000000000000000000641402804,000000000840302181408fcf013090410c6de27f1b,0,5,24,1,0,3,29,30,-10.066,-0.713,4,1.0,0.009174505999999999,-,0.8531,-,0.8531,https://www.genome.jp/dbget-bin/www_bget?dr:D06130
3724,D08086, Irinotecan (INN), Other antineoplastic agents,L01XX19,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(ccc2c(c1)c(c1c(n2)c2n(C1)c(=O)c1c(c2)[C@](C(=O)OC1)(CC)O)CC)OC(=O)N1CC[C@H](CC1)[NH+]1CCCCC1,587.686,4.1811,170.59599999999998,115.4,47,2,9,UWKQSNNFCGGAFS-XIFFEERXSA-O,C33H39N4O6+,CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)[NH+]1CCCCC1,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/p+1/t33-/m0/s1",-6.0318,-5.3202,-5.1868,-4.563,-4.5585,-4.4672,1.6206,1.6781,2.064,2.1591,2.3394,D08086_L01XX19,202600d2003804c05b0c060a0d4243067540041060001a08a3ab01c0022404001c20708900508835d88e0c1828061141010262500280690404f08896600202080c301f0a41001ba1008061002689008d00d885500480300df0090870000b509e4010182000480c0240c400007254040010070550084110e1099e00010a600000,0500004c70f005,03484002040000000000a000200000000041000100009900000000000000000000004640c03204,000040000000012183c4368f9bfbb3e79defffff1f,0,17,68,3,0,6,82,88,-10.107999999999999,-4.0680000000000005,1,1.0,0.8590039009999999,+,4.9566,-,4.9566,https://www.genome.jp/dbget-bin/www_bget?dr:D08086
3725,D01061, Irinotecan hydrochloride (USAN), Other antineoplastic agents,L01XX19,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(ccc2c(c1)c(c1c(n2)c2n(C1)c(=O)c1c(c2)[C@](C(=O)OC1)(CC)O)CC)OC(=O)N1CC[C@H](CC1)[NH+]1CCCCC1,587.686,4.1811,170.59599999999998,115.4,47,2,9,UWKQSNNFCGGAFS-XIFFEERXSA-O,C33H39N4O6+,CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)[NH+]1CCCCC1,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/p+1/t33-/m0/s1",-6.0296,-5.2937,-5.244,-4.5603,-4.5588,-4.4713,1.6255,1.6787,2.0682,2.1555,2.3477,D01061_L01XX19,202600d2003804c05b0c060a0d4243067540041060001a08a3ab01c0022404001c20708900508835d88e0c1828061141010262500280690404f08896600202080c301f0a41001ba1008061002689008d00d885500480300df0090870000b509e4010182000480c0240c400007254040010070550084110e1099e00010a600000,0500004c70f005,03484002040000000000a000200000000041000100009900000000000000000000004640c03204,000040000000012183c4368f9bfbb3e79defffff1f,0,17,68,3,0,6,82,88,-10.111,-4.0680000000000005,1,0.0,0.858988285,+,4.9566,-,4.9566,https://www.genome.jp/dbget-bin/www_bget?dr:D01061
3726,D00420, Mitotane (JAN/USP/INN), Other antineoplastic agents,L01XX23,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cccc(c1Cl)[C@H](c1ccc(cc1)Cl)C(Cl)Cl,320.041,5.928999999999999,80.314,0.0,10,0,0,JWBOIMRXGHLCPP-ZDUSSCGKSA-N,C14H10Cl4,ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H/t13-/m0/s1",-1.3467,-1.3465,-0.4637,-0.4598,-0.4316,-0.4303,0.3205,0.3889,0.4087,0.4191,0.4378,D00420_L01XX23,000402000000000402000200800000008000004000000400000200a840200000100040000000000000010008000400000000000000000000800000020000001000000000000000000000000024000002008804400000000840080800000000000000000100000000000000000000000000020100000100000000000008800200,00000000003001,840000000000000000000000000000000000000000040000000000000000000000000200002004,000000000000000000004000400400002080210016,0,12,17,0,0,3,28,29,-9.927,-0.111,1,0.0,,+,0.3918,-,0.3918,https://www.genome.jp/dbget-bin/www_bget?dr:D00420
3727,D03106, Bexarotene (JAN/USAN/INN), Other antineoplastic agents,L01XX25,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(C(CCC1(C)C)(C)C)cc(c(c2)C(=C)c1ccc(cc1)C(=O)O)C,348.478,6.1037,109.37100000000001,37.3,29,1,2,NAVMQTYZDKMPEU-UHFFFAOYSA-N,C24H28O2,Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)O)C(C)(C)CCC2(C)C,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",-4.3999,-4.2578,-1.3315,-0.5974,-0.5963,-0.5538,0.4915,0.5117,0.5122,0.53,2.3132,D03106_L01XX25,00040000000000c402002200820040020000804008200000010000a0000000001400400000400001200a0208000110010100000000200000000000020002000008000800000000000000200000800000008a00400000100840080800000900000104000180040080024000000100000000020540020100000008000100000000,0400000c00b003,1b0000000000000000008800000000000001000000000000000000000000000000004240402800,0000000002000200020a000014812c04009435d21e,0,12,42,2,0,3,54,56,-4.716,2.265,0,1.0,0.01694403,+,1.3996,-,1.3996,https://www.genome.jp/dbget-bin/www_bget?dr:D03106
3728,D00567, Celecoxib (JAN/USAN/INN), Other antineoplastic agents,L01XX33,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(C(F)(F)F)nn(c(c1)c1ccc(cc1)C)c1ccc(cc1)S(=O)(=O)N,381.37199999999996,5.295,89.9624,86.36,18,1,5,RZEKVGVHFLEQIL-UHFFFAOYSA-N,C17H14F3N3O2S,Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",-12.1294,-9.3901,-9.3628,-5.7984,-5.792000000000001,-4.8753,2.7303,2.8349,3.6579,3.6777,3.9052,D00567_L01XX33,a2260180000226400800462004410004690800900000c230400000c0000000000840408b0008803020a00118000010c0082022100000400400108002000002000c200c004000208001020002100800000a80006004a00009f008010004010000001400000004440002400000100008010006b100000110a10822800036600000,0000000000b001,010100000000000000000000000000000000000000009800000024000000000000000640602800,0000008001024cbe15858da02086900bf2a169e81f,3,17,23,2,0,4,40,42,-9.727,-1.272,0,-1.0,0.6416512129999999,+,1.3519,-,1.3519,https://www.genome.jp/dbget-bin/www_bget?dr:D00567
3729,D00567, Celecoxib (JAN/USAN/INN), Coxibs,M01AH01,MUSCULO-SKELETAL SYSTEM,c1(C(F)(F)F)nn(c(c1)c1ccc(cc1)C)c1ccc(cc1)S(=O)(=O)N,381.37199999999996,5.295,89.9624,86.36,18,1,5,RZEKVGVHFLEQIL-UHFFFAOYSA-N,C17H14F3N3O2S,Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",-12.1321,-9.4097,-9.3134,-5.7977,-5.7902,-4.8522,2.7159,2.8266,3.6592,3.6662,3.8976,D00567_M01AH01,a2260180000226400800462004410004690800900000c230400000c0000000000840408b0008803020a00118000010c0082022100000400400108002000002000c200c004000208001020002100800000a80006004a00009f008010004010000001400000004440002400000100008010006b100000110a10822800036600000,0000000000b001,010100000000000000000000000000000000000000009800000024000000000000000640602800,0000008001024cbe15858da02086900bf2a169e81f,3,17,23,2,0,4,40,42,-9.727,-1.272,0,-1.0,0.6416512129999999,+,1.3519,-,1.3519,https://www.genome.jp/dbget-bin/www_bget?dr:D00567
3730,D07455, Anagrelide (INN/BAN), Other antineoplastic agents,L01XX35,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12C(=[NH]c3c(C1)c(c(cc3)Cl)Cl)NC(=O)C2,257.096,1.8428,74.0394,56.19,12,2,3,NEKBIZSNNHBSLC-UHFFFAOYSA-N,C10H8Cl2N3O,O=C1NC2=[NH]c3c(CN2C1)c(Cl)c(cc3)Cl,"InChI=1S/C10H8Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2,13H,3-4H2,(H,14,16)",-11.1307,-10.7207,-9.2326,-7.4421,-5.7923,-5.5387,3.6443,3.6971,3.8077,4.0229,4.3243,D07455_L01XX35,000302c0204004080100860010010008200b009000004840000210c800202800100040021000002200870128000901400100000040000001062000021048010498001000c0040280092000400688000620aa0044040020115a88018040040000003000024400000c0000100000000000000e0104000100000000000942800000,0400000000b021,000040100000000000008000000000000040000000040000000000000000000000004640400800,000000010004000000f074cedb67d0436ce3692b1f,0,6,18,2,0,0,24,26,-13.324000000000002,-6.162999999999999,0,1.0,0.000924534,+,0.5808,-,0.5808,https://www.genome.jp/dbget-bin/www_bget?dr:D07455
3731,D02933, Anagrelide hydrochloride (USAN), Other antineoplastic agents,L01XX35,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12C(=[NH]c3c(C1)c(c(cc3)Cl)Cl)NC(=O)C2,257.096,1.8428,74.0394,56.19,12,2,3,NEKBIZSNNHBSLC-UHFFFAOYSA-N,C10H8Cl2N3O,O=C1NC2=[NH]c3c(CN2C1)c(Cl)c(cc3)Cl,"InChI=1S/C10H8Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2,13H,3-4H2,(H,14,16)",-11.1307,-10.7207,-9.2326,-7.4421,-5.7923,-5.5387,3.6443,3.6971,3.8077,4.0229,4.3243,D02933_L01XX35,000302c0204004080100860010010008200b009000004840000210c800202800100040021000002200870128000901400100000040000001062000021048010498001000c0040280092000400688000620aa0044040020115a88018040040000003000024400000c0000100000000000000e0104000100000000000942800000,0400000000b021,000040100000000000008000000000000040000000040000000000000000000000004640400800,000000010004000000f074cedb67d0436ce3692b1f,0,6,18,2,0,0,24,26,-13.324000000000002,-6.162999999999999,0,,0.0009228560000000001,+,0.5808,-,0.5808,https://www.genome.jp/dbget-bin/www_bget?dr:D02933
3732,D06320, Vorinostat (JAN/USAN), Other antineoplastic agents,L01XX38,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cccc(c1)NC(=O)CCCCCCC(=O)NO,264.32,2.935,73.3279,78.43,25,3,5,WAEXFXRVDQXREF-UHFFFAOYSA-N,C14H20N2O3,ONC(=O)CCCCCCC(=O)Nc1ccccc1,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",-3.8019,-3.8,-3.2332,-2.8798,-2.3476,-2.0721,1.4214,1.4415,1.4675,1.4728,1.7477,D06320_L01XX38,000200000000020005000600008000008000001000000000000000000000000010001000002000201006001800001040010004000020000800000000000004001000000040000200000010000c8000040090014004002800c0080000000000000000000000000004002000000000002000060000000010401000000102400100,0400000000b001,0200000000000000000080000a2000000000000000000000000000000000000000000200402800,0000800000000000d800002ea0603088dd24466e1f,0,6,31,2,0,10,39,39,-9.281,0.376,0,0.0,0.076380871,-,0.8335,-,0.8335,https://www.genome.jp/dbget-bin/www_bget?dr:D06320
3733,D06637, Romidepsin (JAN/USAN/INN), Other antineoplastic agents,L01XX39,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,S1SCC/C=C\[C@@H]2CC(=O)N[C@@H](C(=O)N[C@H](C1)C(=O)N/C(=C\C)/C(=O)N[C@H](C(=O)O2)C(C)C)C(C)C,540.696,2.7448,156.44,193.3,48,4,12,OHRURASPPZQGQM-QDBHDZETSA-N,C24H36N4O6S2,CC=C1NC(=O)C2CSSCCC=CC(OC(=O)C(NC1=O)C(C)C)CC(=O)NC(C(=O)N2)C(C)C,"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7-,16-6-/t15-,17-,19-,20+/m1/s1",-4.7092,-4.3906,-4.3711,-4.3183,-4.1254,-3.8371,2.1686,2.2231,2.3156,2.602,2.6085,D06637_L01XX39,1022c1030040002425f044800002000c010504900084c80000048020011420141800000683860013000e00306081004021235c021000c1208001000000442230481008000810108001200d000680021602b000c00008204080001702000400110e840020200010020009200080001400000711c40001106010f0008040004400,0400000030a205,17000000400000000000a000200000400001000000000000000000800000000000008440437804,0020000008102001044a804b8561b0cd8d7bf6fb19,0,0,66,7,0,2,72,73,-9.357000000000001,-2.864,4,3.0,0.918440223,-,4.3118,+,4.3118,https://www.genome.jp/dbget-bin/www_bget?dr:D06637
3734,D08956, Omacetaxine mepesuccinate (USAN), Other antineoplastic agents,L01XX40,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c2c([C@H]3[C@@]4([N@H+](CC2)CCC4)C=C([C@H]3OC(=O)[C@@](CCCC(C)(O)C)(CC(=O)OC)O)OC)cc2c1OCO2,546.629,2.7328,145.627,125.19,49,3,9,HYFHYPWGAURHIV-JFIAXGOJSA-O,C29H40NO9+,COC(=O)CC(C(=O)OC1C(=CC23C1c1cc4OCOc4cc1CC[NH+]3CCC2)OC)(CCCC(O)(C)C)O,"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/p+1/t24-,25-,28+,29-/m1/s1",-6.0254,-5.8702,-4.6494,-4.6364,-4.5013,-4.4084,1.6409,1.8069,1.9519,1.9953,2.0338,D08956_L01XX40,102e8102000002240608060002c20005a00000b000425a00018c20800114204010005489c0c00005100a203820230500010202001020c93500011002004aa22808912a00210404030000a9220ac1029c00d0814000003048c218580180282010430c002800101402120a00c061103800000711800a051020088000c350000500,0500004c70f005,074840020400804000029000000000000000000000000000000000000000000000006600c02a05,0000040800000101820a36979dd9ade78ddffeff1f,0,6,74,3,0,11,79,83,-11.9,-3.674,5,0.0,0.16757149999999998,+,4.3305,-,4.3305,https://www.genome.jp/dbget-bin/www_bget?dr:D08956
3735,D08914, Eribulin mesylate (USAN), Other antineoplastic agents,L01XX41,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]12[C@H](CC(=O)C[C@H]3CC[C@H]4[C@@H]([C@H]5[C@H]6[C@@H](O4)[C@@H]4[C@H](C[C@@](O5)(CC[C@H]5CC(=C)[C@@H](O5)CC[C@@H]5O[C@@H](C(=C)[C@@H](C5)C)C1)O4)O6)O3)[C@H]([C@H](O2)C[C@@H](C[NH3+])O)OC,730.904,2.7212,189.55,148.01,71,2,11,UFNVPOGXISZXJD-XJPMSQCNSA-O,C40H60NO11+,[NH3+]CC(CC1OC2C(C1OC)CC(=O)CC1CCC3C(O1)C1OC4(CCC5OC(CCC6OC(C2)C(=C)C(C6)C)C(=C)C5)OC2C(O3)C1OC2C4)O,"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/p+1/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35+,36+,37+,38-,39+,40+/m1/s1",-5.3876,-5.3835,-5.346,-4.1482,-3.187,-3.1187,1.7331,1.7447,1.7461,1.7562,1.9380000000000002,D08914_L01XX41,100000000000a2240000040000020000200001a4000200000000000000040000100000080000000710120010200010000180000010a04011000100000000800008902a000404080000008003288400140090014000000000a80010010020200040040008002800020000200040003c8000058180000000000000008140000500,1500042c30e001,17a8c000040081400000000000000000000000000000000000000000000000000000e401c02a05,0000040002002301800806d39e89a4e40d4df7f71d,0,0,117,3,0,4,112,120,-10.987,-4.065,19,0.0,0.008320884,+,8.5639,-,8.5639,https://www.genome.jp/dbget-bin/www_bget?dr:D08914
3736,D10019, Panobinostat lactate (JAN), Other antineoplastic agents,L01XX42,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(ccc(cc1)/C=C/C(=O)NO)C[NH2+]CCc1c([nH]c2c1cccc2)C,350.434,2.6919,105.02,81.73,27,4,3,FPOHNWQLNRZRFC-ZHACJKMWSA-O,C21H24N3O2+,ONC(=O)C=Cc1ccc(cc1)C[NH2+]CCc1c(C)[nH]c2c1cccc2,"InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/p+1/b11-10+",-5.7202,-5.6917,-5.6431,-4.3718,-4.1419,-2.5511,1.5751,1.7537,1.7784,1.8396,2.0198,D10019_L01XX42,20060000000204240600060004014004000001c000204008000000c0002004001000409100408020088620180000004100028001008421000401000200060060140004024204020002806000028800900080004004002008400809008001c0010014000280200080000000002010040010060151000110401008000002000000,0500000000f001,130040010400000000008000002000000001000000008400000000000000000000004640c36a00,0000800000000100d9002eaebc69380905a765ef1f,0,16,34,2,0,8,50,52,-11.118,-3.931,0,1.0,0.015553158000000001,+,0.8647,-,0.8647,https://www.genome.jp/dbget-bin/www_bget?dr:D10019
3737,D09992, Vismodegib (USAN/INN), Other antineoplastic agents,L01XX43,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cccc(n1)c1cc(ccc1Cl)NC(=O)c1ccc(cc1Cl)S(=O)(=O)C,421.29699999999997,5.865,107.001,84.51,19,1,5,BPQMGSKTAYIVFO-UHFFFAOYSA-N,C19H14Cl2N2O3S,O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",-7.7883,-7.7454,-3.6505,-3.1064,-2.8796,-2.0365,1.0286,1.0977,1.4251,1.5503,1.9325,D09992_L01XX43,2002030200080488010406000cc14000e00000804002080000020880002004000d8040080020813002870a08000810c0002040000000200c01200007000006040400040240002281000211000488000310c800600420290051080010000000000010080e000000001000000020000404000e911000410240001a800002e00000,0400000000b101,0000000000000000000080000a0000004005000000049000800000000000000000000640402801,00000000000044be0501c11862a41009f2a16bea1f,0,18,22,3,0,5,41,43,-9.408,-1.7109999999999999,0,1.0,0.907443285,-,0.8659,-,0.8659,https://www.genome.jp/dbget-bin/www_bget?dr:D09992
3738,D08880, Carfilzomib (JAN/USAN/INN), Other antineoplastic agents,L01XX45,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(OC1)C)CC(C)C)Cc1ccccc1)CC(C)C)CCc1ccccc1)[NH+]1CCOCC1,720.918,4.2992,203.644,159.67,69,5,11,BLMPQMFVWMYDKT-NZTKNTHTSA-O,C40H58N5O7+,CC(CC(C(=O)NC(C(=O)NC(C(=O)C1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C[NH+]1CCOCC1)CCc1ccccc1)C,"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/p+1/t31-,32-,33-,34-,40+/m0/s1",-6.1452,-4.8633,-4.7008,-4.5443,-4.5272,-4.4461,2.7904,2.906,2.9479,3.0374,3.072,D08880_L01XX45,002e4000004002200b0006000002000c010000100000000000000080010c000018005083830000130006343800010000010200000820c000000000820000a01008010c00081010800320a0000280001600f0014000003008c0080800800810000c00002000000000000000008000180000070184020110000032000100000100,1500000030f001,0780400204000100000080000a0000400100000000000000000000000000000000000e00c02a04,00802000000021018246324f8bf8bc838d3bdfff1f,0,12,96,5,0,24,110,113,-11.275,-4.328,5,-1.0,0.030089453,+,6.3768,-,6.3768,https://www.genome.jp/dbget-bin/www_bget?dr:D08880
3739,D09730, Olaparib (JAN/USAN/INN), Other antineoplastic agents,L01XX46,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)c(=O)[nH]nc2Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)C1CC1)F,434.463,2.2232,125.212,86.37,29,1,6,FDLYAMZZIXQODN-UHFFFAOYSA-N,C24H23FN4O3,O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",-4.2886,-4.244,-3.705,-3.6406,-3.6171,-2.0994,1.3251,1.4174,1.9921,2.1951,2.3556,D09730_L01XX46,00460000000004820380060084010008010000d000000008010000e0000010041c007022214880000886023c00000000410232000004200084000002000220020c200d080004000000306001428800040092006000802008c00a0dc00004000608120023000000123200000001000c0100070116000110200868000080000000,0400000000b001,060000000000000000008000320000004005000000089500000000000000000000004640402801,00002000000208001144706a1a65b1cba1e36f6f1f,1,17,39,3,0,6,55,59,-9.44,-0.745,0,0.0,0.9098631140000001,-,2.7510000000000003,-,2.7510000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D09730
3740,D10119, Sonidegib (USAN/INN), Other antineoplastic agents,L01XX48,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,O1[C@H](CN(C[C@H]1C)c1ncc(cc1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F)C,485.49800000000005,5.9595,130.877,63.69,32,1,6,VZZJRYRQSPEMTK-CALCHBBNSA-N,C26H26F3N3O3,CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F,"InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+",-4.7556,-4.7133,-4.7089,-4.7072,-3.5812,-3.5136,1.2464,1.3077,1.4001,1.9269999999999998,2.3505,D10119_L01XX48,80220000201004800308460008c30012c10000c080040208000010800204800014006000086881320086061c000012400402a2000000200c08500002000006100c010c0809100a21000030001298000000c0404004002c00400800600000000000101002000004120080000c9110042020060190087110202918800002600000,0400000070b021,0181000000000060000080000a0000010001000000009000000000000000000000000640603804,0000000020020021015430480aae95e378f3fbfb1f,3,18,45,1,0,7,61,64,-8.492,-0.396,2,0.0,0.957720637,-,1.9325,-,1.9325,https://www.genome.jp/dbget-bin/www_bget?dr:D10119
3741,D08870, Belinostat (USAN/INN), Other antineoplastic agents,L01XX49,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(cccc(c1)/C=C/C(=O)NO)S(=O)(=O)Nc1ccccc1,318.348,3.5507,82.1849,103.88,20,3,6,NCNRHFGMJRPRSK-MDZDMXLPSA-N,C15H14N2O4S,ONC(=O)C=Cc1cccc(c1)S(=O)(=O)Nc1ccccc1,"InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+",-9.3698,-9.3469,-9.2938,-4.4919,-4.1246,-2.5553,1.7546,1.8454,2.4113,2.7547,2.8187,D08870_L01XX49,600001100000000404000620000440000c1001400020400000000080800000000800400840000420000e0008000000c00060800100804100000100020024006010010200c2002880030000000084040000800060042000004008000000008005000400008000048000000100080100000006b100020100411000800012000000,0400000000b001,100000000000000000008000002000000001000000000000000024000000000000000240436800,000080800100449edc01812824a21008d62c4b6a1f,0,12,21,4,0,6,36,37,-9.79,-1.403,0,4.0,0.149306417,+,0.3913,-,0.3913,https://www.genome.jp/dbget-bin/www_bget?dr:D08870
3742,D07259, Buserelin (INN), Gonadotropin releasing hormone analogues,L02AE01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(N(CCC1)C(=O)[C@H](CCCNC(=[NH2])N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)Cc1[nH]cnc1)Cc1c2ccccc2[nH]c1)CO)Cc1ccc(cc1)O)COC(C)(C)C)CC(C)C)C(=O)NCC,1240.43,3.3396,334.36199999999997,440.44,114,16,26,HHOLYYLMPAHLFX-UVLQAERKSA-N,C60H87N16O13,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C60H87N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,65-66,77-78H,7,10-11,14-15,20-27,30-31,61-62H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1",-12.5301,-12.4341,-10.8671,-6.1867,-6.186,-6.1812,3.7806,3.8013,3.9209,4.9829,5.0943,D07259_L02AE01,2026002000420ce00b0046001402000c010100100000924800020080013c0400180050938300803328862538200d0060010202401804a0000000000e000020100c001c0048101a81012858001298001e00b8035004803028c20a0b00800b60000c2000202020000210002000c0120404100e81c500011020087a000102000304,0400001c32b001,0798c00000000000000080003a0000400040000000019400000000000000000000004600403804,000000010004300003f61ecf99f3ffe38d7fffff1f,0,21,149,11,0,43,176,181,-9.613999999999999,-5.785,9,0.0,,+,27.0866,-,27.0866,https://www.genome.jp/dbget-bin/www_bget?dr:D07259
3743,D01831, Buserelin acetate (JAN/USAN), Gonadotropin releasing hormone analogues,L02AE01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(N(CCC1)C(=O)[C@H](CCCNC(=[NH2])N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)Cc1[nH]cnc1)Cc1c2ccccc2[nH]c1)CO)Cc1ccc(cc1)O)COC(C)(C)C)CC(C)C)C(=O)NCC,1240.43,3.3396,334.36199999999997,440.44,114,16,26,HHOLYYLMPAHLFX-UVLQAERKSA-N,C60H87N16O13,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C60H87N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,65-66,77-78H,7,10-11,14-15,20-27,30-31,61-62H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1",-12.5715,-12.5299,-10.9034,-6.228,-6.1945,-6.1943,3.8218,3.8379,3.8765,5.0523,5.0582,D01831_L02AE01,2026002000420ce00b0046001402000c010100100000924800020080013c0400180050938300803328862538200d0060010202401804a0000000000e000020100c001c0048101a81012858001298001e00b8035004803028c20a0b00800b60000c2000202020000210002000c0120404100e81c500011020087a000102000304,0400001c32b001,0798c00000000000000080003a0000400040000000019400000000000000000000004600403804,000000010004300003f61ecf99f3ffe38d7fffff1f,0,21,149,11,0,43,176,181,-9.604,-5.67,9,,,+,27.0866,-,27.0866,https://www.genome.jp/dbget-bin/www_bget?dr:D01831
3744,D08113, Leuprorelin (INN), Gonadotropin releasing hormone analogues,L02AE02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCC(=O)N1)Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC)CCCNC(=[NH2])N)CC(C)C)CC(C)C)CO,1210.41,3.5706,328.43199999999996,431.21,111,16,25,XKNSTVQATFDSGF-RHMMATKOSA-N,C59H85N16O12,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C59H85N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,64-65,76-77H,6,9-10,13-14,19-27,30,60-61H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)/t40-,41-,42-,43+,44+,45-,46+,47+,48-/m1/s1",-13.5629,-13.0576,-10.9997,-6.1445,-6.1214,-5.367000000000001,4.1642,4.3039,4.7181,5.098,5.1752,D08113_L02AE02,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003a0000400040000000019400000000000000000000004600403804,000000010004300001f61ecf9973f7c38d7fffff1f,0,21,145,11,0,42,172,177,-9.679,-5.39,9,-4.0,,+,25.6346,-,25.6346,https://www.genome.jp/dbget-bin/www_bget?dr:D08113
3745,D00989, Leuprolide acetate (USAN), Gonadotropin releasing hormone analogues,L02AE02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC)CCCNC(=[NH2])N)CC(C)C)CC(C)C)CO,1210.41,3.5706,328.43199999999996,431.21,111,16,25,XKNSTVQATFDSGF-MPHYHTEQSA-N,C59H85N16O12,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C59H85N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,64-65,76-77H,6,9-10,13-14,19-27,30,60-61H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)/t40-,41-,42-,43+,44+,45-,46-,47+,48-/m1/s1",-12.5476,-12.465,-10.8594,-6.2041,-6.1886,-6.1879,3.7944,3.8053,3.8449,5.0307,5.0536,D00989_L02AE02,2026002000420ce00b0046001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000000000e000000100c001c0040001a81012850001298001e00b8035004803028c20a0b00800b60000c2000202020000210000000c0120404100e814500011020087a000102000304,0400001c02b001,0718c00000000000000080003a0000400040000000019400000000000000000000004600403804,000000010004300001f61ecf9973f7c38d7fffff1f,0,21,145,11,0,42,172,177,-9.785,-5.437,9,0.0,,+,25.6346,-,25.6346,https://www.genome.jp/dbget-bin/www_bget?dr:D00989
3746,D04405, Goserelin (USAN/INN), Gonadotropin releasing hormone analogues,L02AE03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NNC(=O)N)CCCNC(=[NH2])N)CC(C)C)COC(C)(C)C)CO,1270.42,2.9942,335.653,495.56,115,18,29,GZEMCOQFSAWZAR-BGGVXYKQSA-N,C59H85N18O14,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NNC(=O)N)CCCNC(=[NH2])N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C59H85N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,64-65,78-79H,8-9,12-13,18-25,28-29,60-61H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H3,62,76,90)/t38-,39-,40-,41+,42-,43-,44+,45+,46-/m1/s1",-12.5001,-12.4976,-10.8754,-6.2036,-6.1905,-6.1891,3.7802,3.7856,3.8467,5.0124,5.0807,D04405_L02AE03,28a6012000420ce00b004e001402000d010100100000934800020080013c24001800509383c0807328862538200d00e0010202401804b0040000000e000020100c001c00c8101aa1012878001298001e00b803501c803028ca0e0b00800b60001e2000202020010210002000c0120404100e81c500011020087a00010e000304,0400001c32b041,0798c00000000000000080003a0000400040000400019400000000000000000000004600402804,00000001100438001bf61eef99f3fdeb8d7fffff1f,0,21,148,12,0,44,176,181,-9.689,-5.372000000000001,9,,,+,30.823,-,30.823,https://www.genome.jp/dbget-bin/www_bget?dr:D04405
3747,D00573, Goserelin acetate (JAN/USP), Gonadotropin releasing hormone analogues,L02AE03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NNC(=O)N)CCCNC(=[NH2])N)CC(C)C)COC(C)(C)C)CO,1270.42,2.9942,335.653,495.56,115,18,29,GZEMCOQFSAWZAR-BGGVXYKQSA-N,C59H85N18O14,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NNC(=O)N)CCCNC(=[NH2])N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1,"InChI=1S/C59H85N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,64-65,78-79H,8-9,12-13,18-25,28-29,60-61H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H3,62,76,90)/t38-,39-,40-,41+,42-,43-,44+,45+,46-/m1/s1",-12.1883,-12.1558,-10.270999999999999,-6.2301,-6.1687,-6.0961,3.7332,3.8153,4.039,4.7274,4.7797,D00573_L02AE03,28a6012000420ce00b004e001402000d010100100000934800020080013c24001800509383c0807328862538200d00e0010202401804b0040000000e000020100c001c00c8101aa1012878001298001e00b803501c803028ca0e0b00800b60001e2000202020010210002000c0120404100e81c500011020087a00010e000304,0400001c32b041,0798c00000000000000080003a0000400040000400019400000000000000000000004600402804,00000001100438001bf61eef99f3fdeb8d7fffff1f,0,21,148,12,0,44,176,181,-9.692,-5.437,9,,,+,30.823,-,30.823,https://www.genome.jp/dbget-bin/www_bget?dr:D00573
3748,D06247, Triptorelin (USAN/INN), Gonadotropin releasing hormone analogues,L02AE04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc2cc3c([nH]2)cccc3)Cc2ccc(cc2)O)CO)Cc2c[nH]c3c2cccc3)Cc2[nH]cnc2)CCC(=O)N1,1312.46,3.4142,353.26199999999994,490.09,111,18,27,MKQDRXWEKLDARF-OCVAAJKASA-N,C64H83N18O13,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1cc2c([nH]1)cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1cnc[nH]1,"InChI=1S/C64H83N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)71-31-53(65)85)76-59(91)49(27-38-25-36-9-3-5-11-42(36)73-38)80-57(89)47(24-35-15-17-40(84)18-16-35)77-61(93)51(32-83)81-58(90)48(26-37-29-70-43-12-6-4-10-41(37)43)78-60(92)50(28-39-30-68-33-72-39)79-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,25,29-30,33-34,44-52,69-70,73,83-84H,7-8,13-14,19-24,26-28,31-32,66-67H2,1-2H3,(H2,65,85)(H,68,72)(H,71,94)(H,74,86)(H,75,88)(H,76,91)(H,77,93)(H,78,92)(H,79,87)(H,80,89)(H,81,90)/t44-,45+,46-,47+,48+,49+,50+,51+,52+/m1/s1",-12.5321,-12.5163,-10.8921,-6.1997,-6.1946,-6.1883,3.7912,3.8153,3.85,5.0382,5.0791,D06247_L02AE04,2026002000420ce00b00c6001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000400000e000000100c001c0240001a81012850001298001e00b8835004803028c20a0b00800b60000c2000202020000210000000e0120404100e815520011020087a00010a000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600403804,000000010004300001f61ecf9973f5c38d6fffff1f,0,31,142,12,0,43,178,185,-9.476,-5.406000000000001,9,-1.0,,+,32.5388,-,32.5388,https://www.genome.jp/dbget-bin/www_bget?dr:D06247
3749,D06248, Triptorelin pamoate (USAN), Gonadotropin releasing hormone analogues,L02AE04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc2cc3c([nH]2)cccc3)Cc2ccc(cc2)O)CO)Cc2c[nH]c3c2cccc3)Cc2[nH]cnc2)CCC(=O)N1,1312.46,3.4142,353.26199999999994,490.09,111,18,27,MKQDRXWEKLDARF-OCVAAJKASA-N,C64H83N18O13,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1cc2c([nH]1)cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1cnc[nH]1,"InChI=1S/C64H83N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)71-31-53(65)85)76-59(91)49(27-38-25-36-9-3-5-11-42(36)73-38)80-57(89)47(24-35-15-17-40(84)18-16-35)77-61(93)51(32-83)81-58(90)48(26-37-29-70-43-12-6-4-10-41(37)43)78-60(92)50(28-39-30-68-33-72-39)79-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,25,29-30,33-34,44-52,69-70,73,83-84H,7-8,13-14,19-24,26-28,31-32,66-67H2,1-2H3,(H2,65,85)(H,68,72)(H,71,94)(H,74,86)(H,75,88)(H,76,91)(H,77,93)(H,78,92)(H,79,87)(H,80,89)(H,81,90)/t44-,45+,46-,47+,48+,49+,50+,51+,52+/m1/s1",-12.5301,-12.525,-10.8048,-6.2079,-6.2076,-6.1991,3.7955,3.8096,3.8572,4.9602,5.1,D06248_L02AE04,2026002000420ce00b00c6001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000400000e000000100c001c0240001a81012850001298001e00b8835004803028c20a0b00800b60000c2000202020000210000000e0120404100e815520011020087a00010a000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600403804,000000010004300001f61ecf9973f5c38d6fffff1f,0,31,142,12,0,43,178,185,-9.554,-5.388999999999999,9,0.0,,+,32.5388,-,32.5388,https://www.genome.jp/dbget-bin/www_bget?dr:D06248
3750,D08649, Triptorelin acetate, Gonadotropin releasing hormone analogues,L02AE04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc2cc3c([nH]2)cccc3)Cc2ccc(cc2)O)CO)Cc2c[nH]c3c2cccc3)Cc2[nH]cnc2)CCC(=O)N1,1312.46,3.4142,353.26199999999994,490.09,111,18,27,MKQDRXWEKLDARF-OCVAAJKASA-N,C64H83N18O13,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=[NH2])N)CC(C)C)Cc1cc2c([nH]1)cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1cnc[nH]1,"InChI=1S/C64H83N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)71-31-53(65)85)76-59(91)49(27-38-25-36-9-3-5-11-42(36)73-38)80-57(89)47(24-35-15-17-40(84)18-16-35)77-61(93)51(32-83)81-58(90)48(26-37-29-70-43-12-6-4-10-41(37)43)78-60(92)50(28-39-30-68-33-72-39)79-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,25,29-30,33-34,44-52,69-70,73,83-84H,7-8,13-14,19-24,26-28,31-32,66-67H2,1-2H3,(H2,65,85)(H,68,72)(H,71,94)(H,74,86)(H,75,88)(H,76,91)(H,77,93)(H,78,92)(H,79,87)(H,80,89)(H,81,90)/t44-,45+,46-,47+,48+,49+,50+,51+,52+/m1/s1",-12.6155,-12.5085,-10.745999999999999,-6.2159,-6.2019,-6.1610000000000005,3.7867,3.8233,3.8624,4.9538,4.9937,D08649_L02AE04,2026002000420ce00b00c6001400000c00010010000012480002008001380400180050938300802328862538000d0060010202401804a0000400000e000000100c001c0240001a81012850001298001e00b8835004803028c20a0b00800b60000c2000202020000210000000e0120404100e815520011020087a00010a000304,0400001c02b001,0718c00000000000000080003e0000400040000000019400000000000000000000004600403804,000000010004300001f61ecf9973f5c38d6fffff1f,0,31,142,12,0,43,178,185,-9.587,-5.386,9,0.0,,+,32.5388,-,32.5388,https://www.genome.jp/dbget-bin/www_bget?dr:D08649
3751,D02369, Histrelin (USAN/INN), Gonadotropin releasing hormone analogues,L02AE05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](Cc1cn(cn1)Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC)CCCNC(=[NH2])N)CC(C)C)CO,1324.51,4.012,360.032,449.03,114,16,27,VIFJLDWHQNBJJH-SEBHWKHASA-N,C66H87N18O12,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1ncn(c1)Cc1ccccc1)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C66H87N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,71-72,85-86H,4,10-11,16-17,22-30,33,35,67-68H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)/t47-,48-,49-,50+,51-,52-,53-,54+,55-/m1/s1",-13.0229,-12.215,-10.3205,-6.2085,-6.0429,-5.3326,3.7731,3.7936,4.2792,4.4915,5.3367,D02369_L02AE05,2826002000420ce00b0046001500000c000100100000124800020080013804001c005093c300802328862538000d00e0010202401804e0000000008e000000100c001c08c0001a81012850003298001e00b803500c803028c20a0b00800b60000c3000202020000210040000c0120c04180e814500011020087a800102000304,0400001c02b001,0718c00000000000000080003a0000400040000000019c00000000000000000000004600403804,000000010004300001f61ecf9973f7c38d7fffff1f,0,32,147,11,0,44,183,190,-9.683,-5.103,9,,,+,31.1519,-,31.1519,https://www.genome.jp/dbget-bin/www_bget?dr:D02369
3752,D02116, Histrelin acetate, Gonadotropin releasing hormone analogues,L02AE05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c([nH]c1)cccc2)C[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](Cc1cn(cn1)Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1[C@H](CCC1)C(=O)NCC)CCCNC(=[NH2])N)CC(C)C)CO,1324.51,4.012,360.032,449.03,114,16,27,VIFJLDWHQNBJJH-SEBHWKHASA-N,C66H87N18O12,CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1ncn(c1)Cc1ccccc1)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCNC(=[NH2])N,"InChI=1S/C66H87N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,71-72,85-86H,4,10-11,16-17,22-30,33,35,67-68H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)/t47-,48-,49-,50+,51-,52-,53-,54+,55-/m1/s1",-13.4191,-13.1929,-10.3993,-6.207000000000001,-6.1748,-6.0716,4.3312,4.4031,4.4166,5.0034,5.0276,D02116_L02AE05,2826002000420ce00b0046001500000c000100100000124800020080013804001c005093c300802328862538000d00e0010202401804e0000000008e000000100c001c08c0001a81012850003298001e00b803500c803028c20a0b00800b60000c3000202020000210040000c0120c04180e814500011020087a800102000304,0400001c02b001,0718c00000000000000080003a0000400040000000019c00000000000000000000004600403804,000000010004300001f61ecf9973f7c38d7fffff1f,0,32,147,11,0,44,183,190,-9.672,-5.04,9,3.0,,+,31.1519,-,31.1519,https://www.genome.jp/dbget-bin/www_bget?dr:D02116
3753,D08559, Tamoxifen (INN), Anti-estrogens,L02BA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)/C(=C(/CC)\c1ccccc1)/c1ccccc1)OCC[NH+](C)C,372.523,4.579,120.98,13.67,31,1,1,NKANXQFJJICGDU-QPLCGJKRSA-O,C26H30NO+,CCC(=C(c1ccccc1)c1ccc(cc1)OCC[NH+](C)C)c1ccccc1,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25-",-6.037999999999999,-4.6307,-4.6166,-4.5514,-1.4919,-1.0768,1.4358,1.4625,1.5877,1.6011,1.6058,D08559_L02BA01,000600000000000402000600800240000000004000205200000000a000000001100040000180001200000418000100000100020000000000000000020004000008000800031000010000000002008000008000400001300840081800000800000004000180000482000000008010000002060100080300200800000000200004,0100000050f001,130042020400000000000000000000000000000000000000000000000000000000000240c02200,0000000000000300000a32508c502f620852ddb51f,0,18,41,1,0,8,58,60,-10.693,-4.266,0,0.0,0.38132798700000003,+,0.7709999999999999,-,0.7709999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D08559
3754,D00966, Tamoxifen citrate (JP17/USP), Anti-estrogens,L02BA01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)/C(=C(/CC)\c1ccccc1)/c1ccccc1)OCC[NH+](C)C,372.523,4.579,120.98,13.67,31,1,1,NKANXQFJJICGDU-QPLCGJKRSA-O,C26H30NO+,CCC(=C(c1ccccc1)c1ccc(cc1)OCC[NH+](C)C)c1ccccc1,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25-",-6.0219,-4.6147,-4.6115,-4.5467,-1.5154,-1.0825,1.4579,1.4736,1.5743,1.5815,1.5889,D00966_L02BA01,000600000000000402000600800240000000004000205200000000a000000001100040000180001200000418000100000100020000000000000000020004000008000800031000010000000002008000008000400001300840081800000800000004000180000482000000008010000002060100080300200800000000200004,0100000050f001,130042020400000000000000000000000000000000000000000000000000000000000240c02200,0000000000000300000a32508c502f620852ddb51f,0,18,41,1,0,8,58,60,-10.696,-4.266,0,-1.0,0.388600469,+,0.7709999999999999,-,0.7709999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D00966
3755,D08620, Toremifene (INN), Anti-estrogens,L02BA02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cccc(c1)/C(=C(/c1ccccc1)\CCCl)/c1ccc(cc1)OCC[NH+](C)C,406.968,4.7979,125.77600000000001,13.67,30,1,1,XFCLJVABOIYOMF-QPLCGJKRSA-O,C26H29ClNO+,ClCCC(=C(c1ccccc1)c1ccc(cc1)OCC[NH+](C)C)c1ccccc1,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/p+1/b26-25-",-6.0489,-4.6139,-4.6067,-4.5565,-1.5132,-1.0801,1.4686,1.47,1.5635,1.5827,1.5898,D08620_L02BA02,000682000000000402000600800240000800004000205200000000a800000001100040008180001200010418000100000100020000000000000000020004000008000800031000010000000002008000008001400005300840081800000800000084000180000482000000008010000002060100080300200800000000200204,0100000050f001,920042020400000000000000000000000000000000000000000000000000000000000240c02200,0000000000000300000a3250cc502d622842ddb51f,0,18,41,1,0,9,58,60,-10.959000000000001,-4.313,0,1.0,0.599551201,+,0.8493,-,0.8493,https://www.genome.jp/dbget-bin/www_bget?dr:D08620
3756,D00967, Toremifene citrate (JAN/USAN), Anti-estrogens,L02BA02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cccc(c1)/C(=C(/c1ccccc1)\CCCl)/c1ccc(cc1)OCC[NH+](C)C,406.968,4.7979,125.77600000000001,13.67,30,1,1,XFCLJVABOIYOMF-QPLCGJKRSA-O,C26H29ClNO+,ClCCC(=C(c1ccccc1)c1ccc(cc1)OCC[NH+](C)C)c1ccccc1,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/p+1/b26-25-",-6.0242,-4.6246,-4.5974,-4.55,-1.5029,-1.0805,1.4464,1.4767,1.5772,1.5832,1.5838,D00967_L02BA02,000682000000000402000600800240000800004000205200000000a800000001100040008180001200010418000100000100020000000000000000020004000008000800031000010000000002008000008001400005300840081800000800000084000180000482000000008010000002060100080300200800000000200204,0100000050f001,920042020400000000000000000000000000000000000000000000000000000000000240c02200,0000000000000300000a3250cc502d622842ddb51f,0,18,41,1,0,9,58,60,-10.949000000000002,-4.312,0,,0.599633634,+,0.8493,-,0.8493,https://www.genome.jp/dbget-bin/www_bget?dr:D00967
3757,D01161, Fulvestrant (JAN/USAN/INN), Anti-estrogens,L02BA03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc2c(c1)[C@@H]1[C@@H]([C@@H](C2)CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@H]2[C@](CC1)([C@H](CC2)O)C)O,606.771,9.5483,156.933,76.74,50,2,3,VWUXBMIQPBEWFH-GXZKXCMSSA-N,C32H47F5O3S,O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCCC1Cc2cc(O)ccc2C2C1C1CCC(C1(CC2)C)O,"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41+/m1/s1",-3.685,-3.6841,-3.6827,-2.4431,-2.438,-2.1039,0.764,0.7643,0.7646,0.7657,0.8307,D01161_L02BA03,2006010100000200220002030a000000000000902000120001000280000000001000f4000043000101000008000100400102020000204002000000020002000408000800200000800000a40002000100008012400000100840480800000820050100000000000002820000400000080000021100020110200800004700000000,0000002c02b101,0f2900000000000000000000000000000000000000010000000100000000000000004200602805,00000000000204180601a086b08f2dc82dc6afd51e,5,6,84,1,0,15,88,91,-9.151,0.138,6,,0.9895145890000001,-,4.4911,-,4.4911,https://www.genome.jp/dbget-bin/www_bget?dr:D01161
3758,D00586, Flutamide (JP17/USP/INN), Anti-androgens,L02BB01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(c(cc(c1)NC(=O)C(C)C)C(F)(F)F)[N](=O)O,277.22,3.6957,62.6122,78.76,16,2,2,LJACOWHIMHPMNK-UHFFFAOYSA-N,C11H12F3N2O3,O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N](=O)O,"InChI=1S/C11H12F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)(H,18,19)",-5.3186,-4.2938,-4.1948,-4.1867,-4.1647,-3.7895,1.4763,1.7861,1.925,2.0601,2.353,D00586_L02BB01,00020004000010000100060000804002a000009000000000000000c0000004001000400000200020000604180000124810000000000000080000000200000400100000004001122000001001808001000490004004002804700800000000001400000000000c0000000000800000002400060100000110401018000002400000,0500000000f001,0501000000000000000080000a0000000000000000000000000000000000000000000240e02a00,00008000000281407002002820a6500af6a47aea1f,3,6,23,2,0,5,31,31,-10.536,-1.702,0,0.0,0.297761053,+,0.4934,-,0.4934,https://www.genome.jp/dbget-bin/www_bget?dr:D00586
3759,D00965, Nilutamide (USAN/INN), Anti-androgens,L02BB02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N1(c2ccc(c(c2)C(F)(F)F)[N](=O)O)C(=O)C(NC1=O)(C)C,318.22900000000004,3.2568,75.6782,99.07,17,2,4,SACGKWCFWXMBJW-UHFFFAOYSA-N,C12H11F3N3O4,O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N](=O)O)(C)C,"InChI=1S/C12H11F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)(H,21,22)",-5.3141,-5.2466,-4.6367,-4.2952,-4.1985,-4.186,2.0563,2.1817,2.3514,2.5063,2.6411,D00965_L02BB02,0042000400401020010006000080400aa000009000000000000000c0000014001a004000002002200006053800011248110000000000000800204002000004001000000040011220002010098090010404b0004004002804700a00000000001409200000040c00000000008000000024000e0100200110401038000106400100,0500000000f041,010100000000000000008000000000000040040000000000000000000000000000000640e02a00,0000800010028160725614e921a6d04bf6ed7aea1f,3,6,25,3,0,3,33,34,-10.974,-1.786,0,1.0,0.265197814,+,1.0492,-,1.0492,https://www.genome.jp/dbget-bin/www_bget?dr:D00965
3760,D00961, Bicalutamide (JAN/USP/INN), Anti-androgens,L02BB03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c(ccc(c1)NC(=O)[C@](CS(=O)(=O)c1ccc(cc1)F)(C)O)C#N)C(F)(F)F,430.37300000000005,4.03338,93.8585,115.64,20,2,6,LKJPYSCBVHEWIU-QGZVFWFLSA-N,C18H14F4N2O4S,N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1",-7.778,-7.776,-4.2002,-4.1837,-4.1767,-3.793,1.9356,2.1046,2.407,2.6652,2.6846,D00961_L02BB03,2002010500001010218406000080400081000090000000080000008000220408190054088026802202060018100010c4102040000040800800000002000044040800080040002282009034010080110024d0006104306820504880000000000000000000004c000010000000a00010244006910200111240008a800402400000,0400004c00b111,0149000000000000000080000a00000010000000000800008000000000000000000002c0602805,000000000003649e8601c14ba0a61408feacebff1f,4,12,28,3,1,7,43,44,-10.263,-1.847,1,,0.5922997,-,1.4140000000000001,-,1.4140000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00961
3761,D00574, Aminoglutethimide (USP/INN), Aromatase inhibitors,L02BG01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@]1(c2ccc(cc2)N)(C(=O)NC(=O)CC1)CC,232.278,2.2632,69.5401,72.19,20,2,4,ROBVIMPUHSLWNV-CYBMUJFWSA-N,C13H16N2O2,CCC1(CCC(=O)NC1=O)c1ccc(cc1)N,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1",-5.1066,-5.1058,-3.8079,-3.7939999999999996,-2.9296,-2.9145,1.3687,1.4968,1.4981,1.7775,1.797,D00574_L02BG01,002640000020000003000600000000040000001000000000000000800000000018005081000000201006241800010240010200000020000000000002000000000000000040000040000020001a8000050090015004003008c0080a00800810000400002000000000000000000000000000060140020110000018000102000100,0400000000b021,0b0040080000000000008000000100000000000000000000000000000000000000000600402804,00000000000000200200080f82e83a41dd6165ee1f,0,6,26,2,0,2,33,34,-8.654,0.26,1,0.0,0.111019842,+,0.5233,-,0.5233,https://www.genome.jp/dbget-bin/www_bget?dr:D00574
3762,D07260, Formestane (INN), Aromatase inhibitors,L02BG02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@]12([C@@H](CCC1=O)[C@H]1[C@H](CC2)[C@@]2(C(=C(C(=O)CC2)O)CC1)C)C,302.408,3.9731,85.9688,54.37,29,1,3,OSVMTWJCGUFAOD-KZQROQTASA-N,C19H26O3,O=C1CCC2(C(=C1O)CCC1C2CCC2(C1CCC2=O)C)C,"InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1",-3.3166,-3.0372,-1.5612,-1.4548,-0.8417,-0.5832,0.4472,0.4864,0.6552,0.8818,1.3999,D07260_L02BG02,0000000000000224000000010040000000000080004040000000000000002000100000000080000180020000000000000100000000204102200000000000000008000800000400000000800008800284005000400000000000801000000000010204000080000000000000000000080000000000000000000000000100000100,1400000d00a001,0f0000000000010080000000000000000001000000000000000000000000000000004040405805,00000002000002008208008614892cc08944b7d21c,0,0,48,3,0,0,48,51,-9.373,-0.315,5,1.0,0.405109644,-,2.0079,-,2.0079,https://www.genome.jp/dbget-bin/www_bget?dr:D07260
3763,D00960, Anastrozole (JAN/USAN/INN), Aromatase inhibitors,L02BG03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(cc(cc1Cn1ncnc1)C(C#N)(C)C)C(C#N)(C)C,293.366,2.92876,83.809,78.29,23,0,5,YBBLVLTVTVSKRW-UHFFFAOYSA-N,C17H19N5,N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",-2.7880000000000003,-2.4779,-2.4566,-2.369,-2.1824,-1.6651,0.73,0.7966,1.1847,1.1875,1.2403,D00960_L02BG03,800500000000048002000600000000040400800000800008000000800000000010004081400480214080001800000080000020000004400000000002008040080c000c00000004000000000000080000008000400800000840080800000140000010000000800000048000004110000010060100000100400800800004000000,00000000003011,090000000000000000000000000000001000000000009800000000000000000000000600403000,000000000001080003d604a008c0800b003118ad17,0,11,29,0,2,4,41,42,-10.458,-0.11,0,-2.0,0.12937378900000002,+,0.7834,-,0.7834,https://www.genome.jp/dbget-bin/www_bget?dr:D00960
3764,D00964, Letrozole (JAN/USP/INN), Aromatase inhibitors,L02BG04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)n1cncn1,285.303,2.65916,79.688,78.29,15,0,5,HPJKCIUCZWXJDR-UHFFFAOYSA-N,C17H11N5,N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",-3.3499,-3.3474,-2.7928,-2.3576,-2.217,-2.1851,0.7301,0.7602,0.7932,0.8126,1.6609,D00964_L02BG04,000500000000048002040600800000040000004000800000000000a00000000010004081400400214080001800000080000020000000c00000000002008040080c000800000004000000000000080080008880400800000840088800000140000010000100800000048000006000000000060100000100400800800004000000,00000000003011,000000000000000000000000000000001000000000009800000000000000000000000680403000,000000000001080001d404a00000800b0021092817,0,17,16,0,2,3,33,35,-10.622,-0.915,0,-1.0,0.214659885,+,0.7072,-,0.7072,https://www.genome.jp/dbget-bin/www_bget?dr:D00964
3765,D03786, Vorozole (USAN/INN), Aromatase inhibitors,L02BG05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)[C@@H](c1ccc2c(c1)n(nn2)C)n1ncnc1)Cl,324.768,2.8509,87.616,61.42,17,0,6,XLMPPFTZALNBFS-INIZCTEOSA-N,C16H13ClN6,Clc1ccc(cc1)C(c1ccc2c(c1)n(C)nn2)n1ncnc1,"InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1",-2.7953,-2.3559,-2.217,-2.185,-1.4034,-1.2201,0.7932,0.8035,0.8131,1.0304,1.6639,D03786_L02BG05,2005020400400c8002000600800000050000004040803600000000a00060220010004081401080215081001800000280000226000000600004008082008000080c000c0000010c2000004000660800020088114008000008c00808100001400000100001008000020480000040400400000601004001006018c0800005800000,00000000003001,000000000000000000000000000000000000000000049800000000000000000000004600403004,000000000000080021d444b05005800b222109a817,0,21,18,0,0,3,36,39,-9.719,-0.6579999999999999,1,,,+,1.3352,-,1.3352,https://www.genome.jp/dbget-bin/www_bget?dr:D03786
3766,D00963, Exemestane (JAN/USP/INN), Aromatase inhibitors,L02BG06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1=C[C@]2(C(=CC1=O)C(=C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C,296.403,4.0295,88.256,34.14,26,0,2,BFYIZQONLCFLEV-DAELLWKTSA-N,C20H24O2,O=C1C=CC2(C(=C1)C(=C)CC1C2CCC2(C1CCC2=O)C)C,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",-3.6055,-2.9646,-0.9183,-0.7594,-0.7152,-0.7145,0.4728,0.4898,0.5323,0.5359,0.6657,D00963_L02BG06,0000000000000224000000010000000000000080004040000000000000002000100800000080000080020000012000000100020000200902000000000000000000000000000400000000000008800204001040400000000000001000000000010204000280000000010000000000014000000800000000000000040102000100,14000000002001,1f0000000000010000000000000000000001000000000000000000000000000000004040434805,00000002020002000208008014892cc08940b5c21c,0,0,44,5,0,0,46,49,-9.567,-0.8009999999999999,5,-2.0,0.41131565,-,1.9489,-,1.9489,https://www.genome.jp/dbget-bin/www_bget?dr:D00963
3767,D02738, Abarelix (USAN/INN), Other hormone antagonists and related agents,L02BX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ncccc1C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(cccc2)c1)NC(=O)C)Cc1ccc(cc1)Cl)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C)C(=O)N)CCCC[NH2+]C(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)CO,1417.07,4.6075,381.754,429.56,123,13,27,AIWRTTMUVOZGPW-HSPKUQOVSA-O,C72H96ClN14O14+,OCC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1,"InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/p+1/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1",-5.7208,-5.6781,-4.7862,-4.6386,-4.4295,-4.3872,3.0148,3.1016,3.1124,3.1594,3.1639,D02738_L02BX01,00268200004000201b0006000200400c00000010000016080000008001380400180050938300802338872c3800010040010202001824a00005000002000000100c000c0000001880012800003e88001e00b8034004003008c0090900800860000c00002000200002100000008012040010068105004110200876000102800300,0500001c02f001,0718400104000000000080001e0000400000000000059000000000000000000000004600c02a04,000000000000310001c65edfdb7dbdc3ad7fffff1f,0,29,161,12,0,48,197,202,-9.382,-4.098,10,0.0,,+,30.388,-,30.388,https://www.genome.jp/dbget-bin/www_bget?dr:D02738
3768,D08901, Degarelix (INN/USAN), Other hormone antagonists and related agents,L02BX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)(NC(=O)C)Cc1cc2c(cc1)cccc2,1633.27,6.1487,445.046,517.45,137,17,33,MEUCPCLKGZSHTA-XYAYPHGZSA-O,C82H104ClN18O16+,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/p+1/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1",-5.8669,-5.7999,-5.7161,-5.5298,-4.7744,-4.7014,2.8257,2.917,2.9292,2.9654,3.2356,D08901_L02BX02,00668200004008201b0006000280400c800000100000040800000080013814001a0050938320802338872d3800011240010200005824a00805000002100004100c000c0040001a8001a810003eb8001f00b8034004003808c00b0b00800860000d200020042000001020000080120420100e814520411000007a000102c00300,0500001c00f041,0718400104000000000080001e0000400040040000049000000000000000000000004600c02a04,000000001004310001d65ecfdb7fbcc3fd7f7fff1f,0,35,178,15,0,53,221,228,-9.381,-4.013,11,0.0,,+,45.9236,-,45.9236,https://www.genome.jp/dbget-bin/www_bget?dr:D08901
3769,D08635, Degarelix acetate (USAN), Other hormone antagonists and related agents,L02BX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)(NC(=O)C)Cc1cc2c(cc1)cccc2,1633.27,6.1487,445.046,517.45,137,17,33,MEUCPCLKGZSHTA-XYAYPHGZSA-O,C82H104ClN18O16+,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/p+1/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1",-6.0596,-5.6243,-5.5536,-5.3424,-4.8333,-4.6281,2.7255,2.7294,2.8025,2.9275,3.0371,D08635_L02BX02,00668200004008201b0006000280400c800000100000040800000080013814001a0050938320802338872d3800011240010200005824a00805000002100004100c000c0040001a8001a810003eb8001f00b8034004003808c00b0b00800860000d200020042000001020000080120420100e814520411000007a000102c00300,0500001c00f041,0718400104000000000080001e0000400040040000049000000000000000000000004600c02a04,000000001004310001d65ecfdb7fbcc3fd7f7fff1f,0,35,178,15,0,53,221,228,-9.379,-4.024,11,0.0,,+,45.9236,-,45.9236,https://www.genome.jp/dbget-bin/www_bget?dr:D08635
3770,D09400, Degarelix acetate (JAN), Other hormone antagonists and related agents,L02BX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)(NC(=O)C)Cc1cc2c(cc1)cccc2,1633.27,6.1487,445.046,517.45,137,17,33,MEUCPCLKGZSHTA-XYAYPHGZSA-O,C82H104ClN18O16+,OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCC[NH2+]C(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/p+1/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1",-5.9021,-5.7782,-5.7411,-5.3317,-4.8686,-4.7532,2.846,2.8922,2.9131,2.9207,3.1054,D09400_L02BX02,00668200004008201b0006000280400c800000100000040800000080013814001a0050938320802338872d3800011240010200005824a00805000002100004100c000c0040001a8001a810003eb8001f00b8034004003808c00b0b00800860000d200020042000001020000080120420100e814520411000007a000102c00300,0500001c00f041,0718400104000000000080001e0000400040040000049000000000000000000000004600c02a04,000000001004310001d65ecfdb7fbcc3fd7f7fff1f,0,35,178,15,0,53,221,228,-9.379,-4.022,11,2.0,,+,45.9236,-,45.9236,https://www.genome.jp/dbget-bin/www_bget?dr:D09400
3771,D09701, Abiraterone acetate (JAN/USAN), Other hormone antagonists and related agents,L02BX03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC=C1c1cccnc1)C)OC(=O)C,391.546,5.9694,117.49600000000001,39.19,36,0,3,UVIQSJCZCSLXRZ-UBUQANBQSA-N,C26H33NO2,CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C,"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1",-4.4465,-2.9835,-1.202,-1.061,-1.0519,-0.8295,0.5128,0.5575,0.591,0.8531,1.1172,D09701_L02BX03,00040000000002240200020002024000000000c00060408800002000000424011000400020a08021009a000820010040038000000024600224000002000482000c104c00060400000008a000008802000080004004021000482018000008400002040000002000800000000004110c0010038102024b00000040000102000000,04000000303005,1f0000000000000000009000000000000000000000009000000000000000000000004640402805,00000002000002200308008016892ce50951b5d21f,0,6,57,3,0,3,62,66,-9.532,0.14400000000000002,6,0.0,0.870839059,+,2.1899,-,2.1899,https://www.genome.jp/dbget-bin/www_bget?dr:D09701
3772,D05756, Roquinimex (USAN/INN), Other immunostimulants,L03AX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1)c(c(c(=O)n2C)C(=O)N(c1ccccc1)C)O,308.33099999999996,2.5207,90.6085,62.54,20,1,5,SGOOQMRIPALTEL-UHFFFAOYSA-N,C18H16N2O3,CN(C(=O)c1c(O)c2ccccc2n(c1=O)C)c1ccccc1,"InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3",-4.1495,-4.052,-3.0346,-3.0206,-2.2646,-1.6197,1.2389,1.6866,1.7204,1.7333,1.7467,D05756_L03AX02,00022080000004c44100060000814000c000088080008008000000c0000004000c00708000208120188e0618000010c0000006000000200804000082000004000c20040040001000000070000698000000c0014004002805e00800400000000600140002004000026000020002100400100601000241002008d8800002400010,0400000402b001,00000000000000000000800032000000c003000000018900000000000000000000004640403000,00000000000000000184101913211143d0e5bbfa1f,0,17,22,2,0,3,39,41,-9.367,-0.95,0,0.0,0.122991338,-,0.8602,-,0.8602,https://www.genome.jp/dbget-bin/www_bget?dr:D05756
3773,D07261, Pidotimod (INN), Other immunostimulants,L03AX05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1(=O)CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,244.268,-0.4822,64.4395,112.01,18,2,7,UUTKICFRNVKFRG-WDSKDSINSA-N,C9H12N2O4S,O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,"InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1",-4.5417,-4.4261,-4.3283,-3.9285,-3.8527,-3.8403,2.1179,2.2278,2.3668,2.4094,2.4125,D07261_L03AX05,80020183104000200100040000100008000000100040000020000000000202001800100601050003200e00300000000009034000000000000002000010040014080048000000188001210c0012e0010600300140010020008040060a00000000080000200002200010000000800000000004300c404214200070000100000300,0400000c00a103,020001000000000003008800320000800000000000000000000000000000000000000400402804,00000008084000000044b4ce8860b0c78d6f6e7b19,0,0,26,3,0,3,28,29,-4.821000000000001,3.302,2,1.0,1.7513999999999999e-06,-,1.2929,-,1.2929,https://www.genome.jp/dbget-bin/www_bget?dr:D07261
3774,D06117, Thymopentin (USAN/INN), Other immunostimulants,L03AX09,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=[NH2])N)[NH3+])CCCC[NH3+])CC(=O)O)C(C)C)C(=O)O)O,682.789,-0.6561,177.535,330.58,66,12,15,AZWFEGGIFFPAFA-YGQNSOCVSA-P,C30H52N9O9++,[NH3+]CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)C(C)C)CC(=O)O)NC(=O)C(CCCNC(=[NH2])N)[NH3+],"InChI=1S/C30H50N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,35,40H,3-7,12-15,31-34H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)/p+2/t19-,20-,21-,22-,24-/m0/s1",-12.6322,-12.4494,-10.8305,-6.18,-6.171,-6.1686,3.8062,3.8067,3.83,5.0467,5.0505,D06117_L03AX09,002e8000004008a0030006001200000c0000001000001240000000800118000018005083c3000003300e353800010000010202001820c00001000002000000100800180000001880012000001a90000e00b0034000003008c2080800800a20000c200020000000020000000080001000000e0104000110200870000100000700,0500000c02f003,0700c00004000000000088000a0000c00140000000010000000000000000000000000200c02a04,000000010004310000720a4e896271448d6ed6ff1f,0,6,87,7,0,27,100,100,-6.614,-6.57,5,1.0,3.9798900000000006e-07,-,7.4476,-,7.4476,https://www.genome.jp/dbget-bin/www_bget?dr:D06117
3775,D04444, Histamine dihydrochloride (USAN), Other immunostimulants,L03AX14,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(nc[nH]1)CC[NH3+],112.15299999999999,-0.8059,32.3258,56.32,11,2,1,NTYJJOPFIAHURM-UHFFFAOYSA-O,C5H10N3+,C(c1c[nH]cn1)C[NH3+],"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1",-5.396,-5.3919,-5.2881,-4.151,-2.1216,-1.4325,1.5431,1.5893,1.7392,1.7465,1.7662,D04444_L03AX14,00000020000000400000460004000004000000000000000000020000000004001000000000000021000000100008000000000040000000000000000a0000000004000c00000002000000100000000000000800400080002000020900000140000000000000200000000000004000000410040001000000000000000002000000,0100000000f001,0200c0000400000000000000000000000000000000009400000000000000000000000600c02a00,000000000000010001d006868840a0010421442d13,0,5,13,0,0,2,18,18,-12.527000000000001,-4.341,0,1.0,4.5690999999999995e-08,+,0.4721,-,0.4721,https://www.genome.jp/dbget-bin/www_bget?dr:D04444
3776,D06619, Mifamurtide (USAN), Other immunostimulants,L03AX15,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,O([P@](=O)(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O)CCNC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1NC(=O)C)O)CO)O)C)C)C(=O)N)C,1237.5,8.4171,321.75,385.91,133,10,25,JMUHBNWAORSSBD-HHPWJIADSA-N,C59H109N6O19P,CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)C(NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC1C(NC(=O)C)C(O)OC(C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46-,47+,48+,52+,53-,54+,59+/m0/s1",-10.4808,-10.1944,-7.3281,-7.1614,-4.7079,-4.5059,2.6328,2.8553,3.0256,3.1683,3.306,D06619_L03AX15,00aa81000040a2311900040000020008210001300002800600000000010400301c00100a83010037200e143420000000037200000020c03100008080a0008e10089e293808101a80232082031a80000600f003c000002000a000020100602000482000204068000000000800c4003880000f0185180510000070000140000300,0400003c30a005,03b8000000000041000090000e000000000000000000000000000000002020000000043f402805,000000100080300190400a4fabfa3eec9f7ffeff1d,0,0,185,9,0,59,194,194,-5.816,1.6869999999999998,10,0.0,,-,25.8125,-,25.8125,https://www.genome.jp/dbget-bin/www_bget?dr:D06619
3777,D08971, Plerixafor (JAN/USAN/INN), Other immunostimulants,L03AX16,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1C[NH2+]CCC[NH2+]CC[N@@H+](CCC[NH2+]1)Cc1ccc(cc1)C[N@@H+]1CCC[NH2+]CC[NH2+]CCC[NH2+]CC1,510.845,3.978,189.91,108.54,62,8,0,YIQPUIGJQJDJOS-UHFFFAOYSA-V,C28H62N8++++++++,C1C[NH2+]CC[NH+](CCC[NH2+]CC[NH2+]C1)Cc1ccc(cc1)C[NH+]1CC[NH2+]CCC[NH2+]CC[NH2+]CCC1,"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2/p+8",-6.0178,-5.9848,-5.7329,-5.7295,-5.7081,-5.6693,2.4493,2.661,3.0233,3.1766,3.2517,D08971_L03AX16,000200000000042010000600000100080000008000000000000000c000000000100040020100000000800038000000000002000000000000000000020000000000000000000400000020000002080080008000400000200060090100000100000010000200000000000000000000000000060104000110000004000000000000,0100000000f001,020040030400000000000000000000000000000000000000000000000000000000000600c02204,000000000000310000c43a069840a08305234c2517,0,6,94,0,0,4,98,100,-27.392,-18.567,2,0.0,0.0,+,4.7341,-,4.7341,https://www.genome.jp/dbget-bin/www_bget?dr:D08971
3778,D05096, Mycophenolic acid (USAN/INN), Selective immunosuppressants,L04AA06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(c(c(c1C)OC)C/C=C(/CCC(=O)O)\C)O)C(=O)OC2,320.337,2.7332,84.3533,93.06,25,2,6,HPNSFSBZBAHARI-RUDMXATFSA-N,C17H20O6,COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",-4.556,-4.4308,-4.2555,-2.8898,-1.8398,-1.8158,1.5223,1.5422,1.6679,1.6695,2.3679,D05096_L04AA06,00040000040000c402000280010300000000008000004a00002000c0000420001400400000800001200b022800000000012a02420000680000021002000802000820080a0500000100002100228002040098004000000028480a980000010400020e00000100144200c08208111008000202050009010020080800c901000100,0400000c72b007,13000200000000000000a80000000000c001000000010000000000000000000000004640403800,00000000000002010008049794192de48dddb6d71e,0,6,35,3,0,6,43,44,-4.341,1.0,0,1.0,0.000104116,+,0.6861,-,0.6861,https://www.genome.jp/dbget-bin/www_bget?dr:D05096
3779,D00752, Mycophenolate mofetil (JAN/USAN), Selective immunosuppressants,L04AA06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(c(c(c1C)OC)C/C=C(/CCC(=O)OCC[NH+]1CCOCC1)\C)O)C(=O)OC2,434.50300000000004,2.6761,119.45299999999999,95.73,39,2,7,RTGDFNSFWBGLEC-SYZQJQIISA-O,C23H32NO7+,COc1c(CC=C(CCC(=O)OCC[NH+]2CCOCC2)C)c(O)c2c(c1C)COC2=O,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/p+1/b15-4+",-6.0344,-4.5629,-4.5479,-4.5325,-4.4306,-4.3293,1.5737,1.6635,1.6684,2.0014,2.0986,D00752_L04AA06,00060000040000c402000680010300000100008000004a00002000c0000420101400400000800013200b022820000000012a02420000680000021002000886100831080a0d10200100002100228002040098004000002028480a980000010400020e00000100144200c08208911008000207058009030020080800c901000100,0500000472f005,13804202040000000000b00000000000c001000000010000000000000000000000004640c03a01,0000000000000301000c36d79e59ade78ddffff71f,0,6,56,3,0,10,63,65,-10.831,-4.49,0,-1.0,0.09616652099999999,+,1.4915,-,1.4915,https://www.genome.jp/dbget-bin/www_bget?dr:D00752
3780,D05094, Mycophenolate mofetil hydrochloride (US, Selective immunosuppressants,L04AA06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(c(c(c1C)OC)C/C=C(/CCC(=O)OCC[NH+]1CCOCC1)\C)O)C(=O)OC2,434.50300000000004,2.6761,119.45299999999999,95.73,39,2,7,RTGDFNSFWBGLEC-SYZQJQIISA-O,C23H32NO7+,COc1c(CC=C(CCC(=O)OCC[NH+]2CCOCC2)C)c(O)c2c(c1C)COC2=O,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/p+1/b15-4+",-5.9954,-4.602,-4.5836,-4.5221,-4.3353,-4.2096,1.6683,1.6735,1.7751,1.876,2.6837,D05094_L04AA06,00060000040000c402000680010300000100008000004a00002000c0000420101400400000800013200b022820000000012a02420000680000021002000886100831080a0d10200100002100228002040098004000002028480a980000010400020e00000100144200c08208911008000207058009030020080800c901000100,0500000472f005,13804202040000000000b00000000000c001000000010000000000000000000000004640c03a01,0000000000000301000c36d79e59ade78ddffff71f,0,6,56,3,0,10,63,65,-10.819,-4.4910000000000005,0,-1.0,0.09611173699999999,+,1.4915,-,1.4915,https://www.genome.jp/dbget-bin/www_bget?dr:D05094
3781,D05095, Mycophenolate sodium (USAN), Selective immunosuppressants,L04AA06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(c(c(c(c1C)OC)C/C=C(/CCC(=O)O)\C)O)C(=O)OC2,320.337,2.7332,84.3533,93.06,25,2,6,HPNSFSBZBAHARI-RUDMXATFSA-N,C17H20O6,COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",-4.5658,-4.4284,-4.3045,-2.8692,-1.8283,-1.8138,1.5234,1.5348,1.6623,1.6643,2.3647,D05095_L04AA06,00040000040000c402000280010300000000008000004a00002000c0000420001400400000800001200b022800000000012a02420000680000021002000802000820080a0500000100002100228002040098004000000028480a980000010400020e00000100144200c08208111008000202050009010020080800c901000100,0400000c72b007,13000200000000000000a80000000000c001000000010000000000000000000000004640403800,00000000000002010008049794192de48dddb6d71e,0,6,35,3,0,6,43,44,-4.341,1.0,0,0.0,0.000104088,+,0.6672,-,0.6672,https://www.genome.jp/dbget-bin/www_bget?dr:D05095
3782,D00753, Sirolimus (JAN/USAN/INN), Selective immunosuppressants,L04AA10,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)O)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,914.172,6.1185,253.678,195.43,93,3,14,QFJCIRLUMZQUOT-HPLJOQBZSA-N,C51H79NO13,COC1CC(CCC1O)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",-4.4145,-4.2669999999999995,-4.2509,-4.2119,-3.5102,-3.3885,2.1031,2.2002,2.3409,2.3806,2.9008,D00753_L04AA10,102200000040a2240300048040020000010000b000c0c00000040000011420101e00100880a04017100e04102000000001a200029020c003000000800000a2100c1028080c14088002008a020a80021600f0015000222040a880100140000004020400284008000001002000c0000cc000070180000990020050048140040100,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a432805,00000000000002018008105f8fe9bce78d5dbfff1d,0,0,138,9,0,6,144,147,-8.711,-0.546,15,,0.942709327,+,9.5571,-,9.5571,https://www.genome.jp/dbget-bin/www_bget?dr:D00753
3783,D00753, Sirolimus (JAN/USAN/INN), Other ophthalmologicals,S01XA23,SENSORY ORGANS,N12[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@H]([C@@H](CC3)O)OC)C)CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@@](C(=O)C1=O)([C@@H](CC3)C)O)OC)\C)C)C)OC)O)\C)C)CCCC2,914.172,6.1185,253.678,195.43,93,3,14,QFJCIRLUMZQUOT-HPLJOQBZSA-N,C51H79NO13,COC1CC(CCC1O)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",-4.4397,-4.2096,-4.1978,-4.1892,-3.5079,-3.3895,2.1849,2.211,2.3353,2.3564,2.9252,D00753_S01XA23,102200000040a2240300048040020000010000b000c0c00000040000011420101e00100880a04017100e04102000000001a200029020c003000000800000a2100c1028080c14088002008a020a80021600f0015000222040a880100140000004020400284008000001002000c0000cc000070180000990020050048140040100,1400022c30a005,17a80000000001410000a00020000000000000000000000000000000000000000000c47a432805,00000000000002018008105f8fe9bce78d5dbfff1d,0,0,138,9,0,6,144,147,-8.711,-0.546,15,,0.942709327,+,9.5571,-,9.5571,https://www.genome.jp/dbget-bin/www_bget?dr:D00753
3784,D00749, Leflunomide (JAN/USAN/INN), Selective immunosuppressants,L04AA13,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(C(=O)Nc2ccc(cc2)C(F)(F)F)c(onc1)C,270.207,3.3271,60.6852,55.13,12,1,4,VHOGYURTWQBHIL-UHFFFAOYSA-N,C12H9F3N2O2,O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",-4.7903,-4.1835,-4.1828,-4.1811,-4.0716,-2.8837,0.9136,0.9182,0.9963,1.7881,1.8568,D00749_L04AA13,20021040200010800100060000800000810040982002800001000080000000008800480400208120000e00080020924000001000000000080004000200002400060004206040000040903001008000000084404004002800502a000000010600001000000044021000800000010000001806011202011a040008000002400000,0400000000b001,0101000000000000000080000a000000400100000000b000000000000000000000000640603800,0000000000020001418004a921a6900970a1e0ea1f,3,11,17,1,0,4,28,29,-9.874,-0.8059999999999999,0,2.0,0.188621432,+,0.45799999999999996,-,0.45799999999999996,https://www.genome.jp/dbget-bin/www_bget?dr:D00749
3785,D08032, Gusperimus (INN), Selective immunosuppressants,L04AA19,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(CCCCCNC(=[NH2])N)C(=O)N[C@@H](O)C(=O)NCCCC[NH2+]CCC[NH3+],390.545,-0.8667,109.085,186.75,48,8,7,XYKORLCUYKGAKW-INIZCTEOSA-P,C17H40N7O3++,[NH3+]CCC[NH2+]CCCCNC(=O)C(NC(=O)CCCCCCNC(=[NH2])N)O,"InChI=1S/C17H38N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,23,27H,1-13,18-20H2,(H,22,26)(H,24,25)/p+2/t16-/m0/s1",-12.5191,-12.5174,-10.8969,-6.2018,-6.1945,-6.1931,3.7864,3.7968,3.8642,5.0256,5.1009,D08032_L04AA19,0022000000400aa011000400100000080000001000000040000000000000000038001002010000025006053000000000010200000020000000000000000000100800180000000880002000000a9000060070034000002000820100000002200008200020000000000080000080000000000c0004000010000034000100000100,0500000c00e000,0200c00104000000030080000a0000000040000000000000000000000000000000000000c02a04,000000010004310080f02a4f886270808d26467f09,0,0,63,3,0,20,67,66,-14.727,-10.067,1,0.0,,-,3.4773,-,3.4773,https://www.genome.jp/dbget-bin/www_bget?dr:D08032
3786,D01566, Gusperimus trihydrochloride (USAN), Selective immunosuppressants,L04AA19,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C(CCCCCNC(=[NH2])N)C(=O)N[C@@H](O)C(=O)NCCCC[NH2+]CCC[NH3+],390.545,-0.8667,109.085,186.75,48,8,7,XYKORLCUYKGAKW-INIZCTEOSA-P,C17H40N7O3++,[NH3+]CCC[NH2+]CCCCNC(=O)C(NC(=O)CCCCCCNC(=[NH2])N)O,"InChI=1S/C17H38N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,23,27H,1-13,18-20H2,(H,22,26)(H,24,25)/p+2/t16-/m0/s1",-12.5093,-12.4834,-10.8526,-6.1999,-6.1972,-6.1921,3.7792,3.7908,3.8399,5.001,5.0777,D01566_L04AA19,0022000000400aa011000400100000080000001000000040000000000000000038001002010000025006053000000000010200000020000000000000000000100800180000000880002000000a9000060070034000002000820100000002200008200020000000000080000080000000000c0004000010000034000100000100,0500000c00e000,0200c00104000000030080000a0000000040000000000000000000000000000000000000c02a04,000000010004310080f02a4f886270808d26467f09,0,0,63,3,0,20,67,66,-14.722999999999999,-10.042,1,1.0,,-,3.4773,-,3.4773,https://www.genome.jp/dbget-bin/www_bget?dr:D01566
3787,D10001, Fingolimod (INN), Selective immunosuppressants,L04AA27,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)CCC(CO)([NH3+])CO)CCCCCCCC,308.47900000000004,2.4875,95.5777,68.1,36,3,2,KKGQTZUTZRNORY-UHFFFAOYSA-O,C19H34NO2+,CCCCCCCCc1ccc(cc1)CCC(CO)(CO)[NH3+],"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3/p+1",-5.39,-5.3696,-5.3602,-4.0979,-2.0311,-2.0109,1.605,1.7516,1.7535,1.7565,2.9507,D10001_L04AA27,00040000000002000a00060002000000000000000000000000000080000000001000400000000003000000180001000001000000002040010000000200000000080008000000000000002000000000000088004000001008c0080800000900000000000000000000000000000000080000060100020100000002000100000000,0100001c00f001,0318c0000400000000000000000000000000000000000000000000000000000000000200c02200,00000000000031000200024780d82e80050644fd1f,0,6,50,0,0,12,56,56,-12.119000000000002,-4.1530000000000005,0,-1.0,0.009856607,-,0.8712,-,0.8712,https://www.genome.jp/dbget-bin/www_bget?dr:D10001
3788,D04187, Fingolimod hydrochloride (JAN/USAN), Selective immunosuppressants,L04AA27,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1c(ccc(c1)CCC(CO)(CO)[NH3+])CCCCCCCC,308.47900000000004,2.4875,95.5777,68.1,36,3,2,KKGQTZUTZRNORY-UHFFFAOYSA-O,C19H34NO2+,CCCCCCCCc1ccc(cc1)CCC(CO)(CO)[NH3+],"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3/p+1",-5.3887,-5.3742,-5.3473,-4.0093,-2.0466,-2.022,1.568,1.7345,1.7387,1.7939,2.2447,D04187_L04AA27,00040000000002000a00060002000000000000000000000000000080000000001000400000000003000000180001000001000000002040010000000200000000080008000000000000002000000000000088004000001008c0080800000900000000000000000000000000000000080000060100020100000002000100000000,0100001c00f001,0318c0000400000000000000000000000000000000000000000000000000000000000200c02200,00000000000031000200024780d82e80050644fd1f,0,6,50,0,0,12,56,56,-12.110999999999999,-4.143,0,,0.008971101,-,0.8712,-,0.8712,https://www.genome.jp/dbget-bin/www_bget?dr:D04187
3789,D09970, Tofacitinib (USAN), Selective immunosuppressants,L04AA29,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1N(C[C@@H]([C@@H](C1)C)N(C)c1ncnc2c1cc[nH]2)C(=O)CC#N,312.37,1.48268,91.1977,88.91,26,1,6,UJLAWZDWDVHWOW-YPMHNXCESA-N,C16H20N6O,N#CCC(=O)N1CCC(C(C1)N(c1ncnc2c1cc[nH]2)C)C,"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1",-3.88,-3.7829,-3.4708,-3.1104,-3.0168,-2.9568,1.5744,1.6003,2.0903,2.358,2.5507,D09970_L04AA29,c0260000001200c001004e0018000008800000100080000000000080000000001e001002414480606086043a000010400502200000006008084000000000440004001c1000000200002000000288000400100350040020008002000000012000080810200080000000600800000008200006080c200018000038800106400100,0400000000b031,070000000000000000008000120000011000000000009400000000000000000000004600403807,000000002001000001d434981b69bc8359237daf1f,0,10,33,1,1,4,43,45,-8.975,-0.188,2,0.0,0.055386845,-,1.1506,-,1.1506,https://www.genome.jp/dbget-bin/www_bget?dr:D09970
3790,D09783, Tofacitinib citrate (JAN/USAN), Selective immunosuppressants,L04AA29,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,C1N(C[C@@H]([C@@H](C1)C)N(C)c1ncnc2c1cc[nH]2)C(=O)CC#N,312.37,1.48268,91.1977,88.91,26,1,6,UJLAWZDWDVHWOW-YPMHNXCESA-N,C16H20N6O,N#CCC(=O)N1CCC(C(C1)N(c1ncnc2c1cc[nH]2)C)C,"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1",-3.8783,-3.7864,-3.4875,-3.1108,-3.0269999999999997,-2.9727,1.557,1.6049,2.0884,2.3552,2.5402,D09783_L04AA29,c0260000001200c001004e0018000008800000100080000000000080000000001e001002414480606086043a000010400502200000006008084000000000440004001c1000000200002000000288000400100350040020008002000000012000080810200080000000600800000008200006080c200018000038800106400100,0400000000b031,070000000000000000008000120000011000000000009400000000000000000000004600403807,000000002001000001d434981b69bc8359237daf1f,0,10,33,1,1,4,43,45,-8.972999999999999,-0.188,2,1.0,0.05477643,-,1.1506,-,1.1506,https://www.genome.jp/dbget-bin/www_bget?dr:D09783
3791,D10172, Teriflunomide (USAN), Selective immunosuppressants,L04AA31,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(ccc(cc1)C(F)(F)F)NC(=O)/C(=C(\C)/O)/C#N,270.207,3.07248,61.0245,73.12,13,2,4,UTNUDOFZCWSZMS-YFHOEESVSA-N,C12H9F3N2O2,N#CC(=C(O)C)C(=O)Nc1ccc(cc1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-",-4.1843,-4.1822,-4.1808,-4.1179,-3.4921,-3.4065,1.2385,1.3116,1.5366,1.5775,1.7358,D10172_L04AA31,800200000000100401000e0000c008008000009000024000000000800000000010004000002400600006001800001040000020000000050800010002000844200800080040000200008011010080008008900060040028005008000000000001002c00000004000000000800000000202006010000011000008800000a420000,0400000d00b011,0101000000000000800080000a000000d0010000000000000000000000000000000002c0607800,00000000000312000088000905a610007424c0fa1f,3,6,19,2,1,4,28,28,-9.851,-0.7709999999999999,0,0.0,0.12349735199999999,-,0.5565,-,0.5565,https://www.genome.jp/dbget-bin/www_bget?dr:D10172
3792,D08860, Apremilast (JAN/USAN), Selective immunosuppressants,L04AA32,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c12c(C(=O)N(C1=O)[C@@H](c1ccc(c(c1)OCC)OC)CS(=O)(=O)C)c(ccc2)NC(=O)C,460.5,3.5259,121.89,127.46,33,1,9,IMOZEMNVLZVGJZ-QGZVFWFLSA-N,C22H24N2O7S,CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C,"InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1",-7.0657,-7.0195,-3.8105,-3.6949,-3.582,-3.2324,1.8867,1.9343,2.1545,2.3709,2.4162,D08860_L04AA32,20060143000004800b000600008340209010008410403200000020c0000004001c804c060420002080860208000012c00003820000001808028001030020040408800812410502c18001342002c88100008000404420280850480923000083000010080280000402408811080010000400063118080100600808804602400014,0400000050b101,0100020000000000000080004a0000004003000000000000800000000000000000004640403805,000000000000441a8485b49931f1176bdafbfbff1f,0,12,41,5,0,9,56,58,-9.076,-1.581,1,0.0,0.470927507,+,1.8186,-,1.8186,https://www.genome.jp/dbget-bin/www_bget?dr:D08860
3793,D00184, Cyclosporine (USP), Calcineurin inhibitors,L04AD01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@@H]1(N(C(=O)[C@@H](N(C(=O)[C@H](N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)CN(C(=O)[C@@H](NC1=O)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C)[C@@H]([C@@H](C)C/C=C/C)O,1202.61,4.1495,375.466,278.8,134,5,23,PMATZTZNYRCHOR-OIYIJVRZSA-N,C62H111N11O12,CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43-,44+,45-,46+,47+,49+,50-,51+,52+/m0/s1",-4.4067,-4.4018,-4.3318,-4.292,-3.8952,-3.888,2.4267,2.5104,2.6136,2.6178,2.6409,D00184_L04AD01,002200000040002401000400000000080000009000404000000000000100000018001002838000031006043000000000012200000020c10000000000000000100800080000041880012000000a800216003001400000200080001000000000000804002000000000000000008000000000040004000010000070008100000100,0400002c00a001,172800000000000000008000200000400000000000000000000000000000000000000400432804,00000000000030000046305f8d689ec38c7dfaff19,0,0,184,12,0,15,196,196,-9.379,0.622,12,,0.812404454,-,23.201999999999998,-,23.201999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D00184
3794,D00184, Cyclosporine (USP), Other ophthalmologicals,S01XA18,SENSORY ORGANS,[C@@H]1(N(C(=O)[C@@H](N(C(=O)[C@H](N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)CN(C(=O)[C@@H](NC1=O)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C)[C@@H]([C@@H](C)C/C=C/C)O,1202.61,4.1495,375.466,278.8,134,5,23,PMATZTZNYRCHOR-OIYIJVRZSA-N,C62H111N11O12,CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43-,44+,45-,46+,47+,49+,50-,51+,52+/m0/s1",-4.348,-4.3361,-4.3315,-4.3144,-3.8842,-3.8771,2.4047,2.5988,2.6015,2.6202,2.638,D00184_S01XA18,002200000040002401000400000000080000009000404000000000000100000018001002838000031006043000000000012200000020c10000000000000000100800080000041880012000000a800216003001400000200080001000000000000804002000000000000000008000000000040004000010000070008100000100,0400002c00a001,172800000000000000008000200000400000000000000000000000000000000000000400432804,00000000000030000046305f8d689ec38c7dfaff19,0,0,184,12,0,15,196,196,-9.379,0.622,12,,0.812404454,-,23.201999999999998,-,23.201999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D00184
3795,D09033, Voclosporin (USAN/INN), Calcineurin inhibitors,L04AD03,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,[C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H](NC1=O)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C)[C@@H]([C@H](C)C/C=C\C=C)O,1214.62,4.3156,379.79900000000004,278.8,134,5,23,BICRTLVBTLFLRD-OVKPCXMZSA-N,C63H111N11O12,C=CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,"InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27-/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1",-4.3427,-4.3377,-4.292,-4.2307,-3.8828,-3.8817,2.4037,2.594,2.6111,2.6148,2.6495,D09033_L04AD03,00220000004000240100040000000008000000900040400000000000010000001a001002838000031006043000000000012200000020c10000000000000000100800080000041880012000000a800216003001400000200080001000000000000804002000000000010000008000004000040004000010000070048100000100,0400002c00a001,172800000000000000008000200000400000000000000000000000000000000000000440432804,00000000020030000046305f8d689ec38c7dfaff19,0,0,184,13,0,16,197,197,-8.686,0.44299999999999995,12,1.0,0.896413624,-,23.5333,-,23.5333,https://www.genome.jp/dbget-bin/www_bget?dr:D09033
3796,D00238, Azathioprine (JP17/USP/INN), Other immunosuppressants,L04AX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c(nc[nH]2)ncn1)Sc1c([N](=O)O)ncn1C,278.27099999999996,1.5604,66.5372,147.24,15,2,6,VYBDMHOAGMSWFH-UHFFFAOYSA-N,C9H8N7O2S,Cn1cnc(c1Sc1ncnc2c1[nH]cn2)[N](=O)O,"InChI=1S/C9H8N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,17,18)(H,10,11,12,13)",-5.6945,-4.585,-3.1143,-2.9286,-2.875,-2.8643,1.4634,1.587,1.9094,2.0397,2.0935,D00238_L04AX01,e0020108400002c0000047030858080000038020104004408400009800400002140008004008802150d0011c800006b00000208030006080000800000810000434020e00000000420000000002100100009000630c8010086000400000014014001800000080010000c02000400008002006102020003800121a80000a500400,0100000000f101,000010000000000000000000000040010000000000009c00000000000000000000004640c03a00,00008000204081c471d495f03301c00b56a568e81f,0,15,13,1,0,3,27,29,-9.655,-1.521,0,0.0,0.065466583,+,1.4855,-,1.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D00238
3797,D03033, Azathioprine sodium (USP), Other immunosuppressants,L04AX01,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1(c2c(nc[nH]2)ncn1)Sc1c([N](=O)O)ncn1C,278.27099999999996,1.5604,66.5372,147.24,15,2,6,VYBDMHOAGMSWFH-UHFFFAOYSA-N,C9H8N7O2S,Cn1cnc(c1Sc1ncnc2c1[nH]cn2)[N](=O)O,"InChI=1S/C9H8N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,17,18)(H,10,11,12,13)",-5.6726,-4.5969,-3.1079,-2.9293,-2.8741,-2.8616,1.4633,1.5955,1.9097,2.0406,2.0891,D03033_L04AX01,e0020108400002c0000047030858080000038020104004408400009800400002140008004008802150d0011c800006b00000208030006080000800000810000434020e00000000420000000002100100009000630c8010086000400000014014001800000080010000c02000400008002006102020003800121a80000a500400,0100000000f101,000010000000000000000000000040010000000000009c00000000000000000000004640c03a00,00008000204081c471d495f03301c00b56a568e81f,0,15,13,1,0,3,27,29,-9.654,-1.521,0,,0.065466583,+,1.4855,-,1.4855,https://www.genome.jp/dbget-bin/www_bget?dr:D03033
3798,D00754, Thalidomide (JAN/USP/INN), Other immunosuppressants,L04AX02,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N1([C@@H]2C(=O)NC(=O)CC2)C(=O)c2c(C1=O)cccc2,258.22900000000004,0.3545,70.9517,83.55,16,1,6,UEJJHQNACJXSKW-VIFPVBQESA-N,C13H10N2O4,O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1",-3.8047,-3.7981,-3.6711,-3.6701,-2.9245,-2.9151,1.4927,1.7761,1.777,1.882,1.8861,D00754_L04AX02,00028000004004a001000600000100080000009000400000000020c0000000001c004002010000008086063800000280010200000000100000000002002000000000000000040000002020001288000600b0035000002000c0080300000020000810002280000000008000000000000000060114000110000038800100800300,0400000000b001,020000000000000000008000400100000001000000000000000000000000000000004640402804,0000000000000020004414cf9261b04398e96f6a1f,0,6,21,4,0,1,29,31,-10.88,-1.237,1,1.0,0.071014255,-,1.9127,-,1.9127,https://www.genome.jp/dbget-bin/www_bget?dr:D00754
3799,D04687, Lenalidomide (USAN/INN), Other immunosuppressants,L04AX04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1N)CN(C2=O)[C@H]1CCC(=O)NC1=O,259.26099999999997,0.8777,74.9346,92.5,19,2,6,GOTYRUGSSMKFNF-JTQLQIEISA-N,C13H13N3O3,O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2N,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1",-5.1084,-5.0984,-3.7994,-3.7929,-3.7430000000000003,-3.6749,1.7796,1.7979,1.8865,1.9287,1.9334,D04687_L04AX04,00028040004004a001000600000140080000009000400000000020c0000004001c0040020100002080860638000002c0010200000000000002000002002000000000001040050200002020001288000600b0035004002000c00803000000a0000810002280000000008010000000000000060114000110000038800102800310,0400000000b021,020040080000000000008000200100000001000000000000000000000000000000004640403804,000000000000002000c41ccf9a61b0c3dde16f6b1f,0,6,25,3,0,1,32,34,-8.96,-0.19,1,,0.06444118900000001,-,1.2237,-,1.2237,https://www.genome.jp/dbget-bin/www_bget?dr:D04687
3800,D09813, Lenalidomide hydrate (JAN), Other immunosuppressants,L04AX04,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1ccc2c(c1N)CN(C2=O)[C@H]1CCC(=O)NC1=O,259.26099999999997,0.8777,74.9346,92.5,19,2,6,GOTYRUGSSMKFNF-JTQLQIEISA-N,C13H13N3O3,O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2N,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1",-5.1084,-5.0984,-3.7994,-3.7929,-3.7430000000000003,-3.6749,1.7796,1.7979,1.8865,1.9287,1.9334,D09813_L04AX04,00028040004004a001000600000140080000009000400000000020c0000004001c0040020100002080860638000002c0010200000000000002000002002000000000001040050200002020001288000600b0035004002000c00803000000a0000810002280000000008010000000000000060114000110000038800102800310,0400000000b021,020040080000000000008000200100000001000000000000000000000000000000004640403804,000000000000002000c41ccf9a61b0c3dde16f6b1f,0,6,25,3,0,1,32,34,-8.961,-0.19,1,2.0,0.06446711,-,1.2237,-,1.2237,https://www.genome.jp/dbget-bin/www_bget?dr:D09813
3801,D01583, Pirfenidone (JAN/USAN/INN), Other immunosuppressants,L04AX05,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,c1cc(cn(c1=O)c1ccccc1)C,185.222,2.1459,57.005,22.0,12,0,2,ISWRGOKTTBVCFA-UHFFFAOYSA-N,C12H11NO,Cc1ccc(=O)n(c1)c1ccccc1,"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3",-4.1064,-1.7922,-0.8063,-0.5406,-0.5396,-0.4891,0.4185,0.4359,0.4808,0.4904,0.6055,D01583_L04AX05,00020000000004004800061000004004000000000000000800000040000004000004708100408020108000188000004000000000000120000400008200000000040004004000100000002000008800000080014004000004e0080040000010060010000002000000400000000010040010060000004100000002000002000000,00000000003001,010000000000000000008000200000000001000000008900000000000000000000000640402000,0000000000000020010410080220114350c129aa1f,0,12,13,1,0,1,25,26,-8.863999999999999,-0.341,0,0.0,0.089855537,+,0.213,-,0.213,https://www.genome.jp/dbget-bin/www_bget?dr:D01583
3802,D08976, Pomalidomide (JAN/USAN/INN), Other immunosuppressants,L04AX06,ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS,N1([C@@H]2C(=O)NC(=O)CC2)C(=O)c2c(C1=O)c(ccc2)N,273.244,0.5179,75.3561,109.57,18,2,7,UVSMNLNDYGZFPF-QMMMGPOBSA-N,C13H11N3O4,O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2,"InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1",-5.1117,-5.0687,-3.8049,-3.7989,-3.6706,-3.6646,1.7761,1.7771,1.8837,1.886,1.9315,D08976_L04AX06,00028040004004a001000600000140080000009000400000000020c0000004001c0040020100002080860638000002c0010200000000100002000002002000000000001040050200002020001288000600b0035004002000c00803000000a0000810002280000000008011000000000000060114000110000038800102800310,0400000000b021,020040080000000000008000400100004003000000000000000000000000000000004640403804,000000000000002000c41ccf9361b043dce96f6a1f,0,6,23,4,0,1,31,33,-9.225,-1.083,1,1.0,0.045292262,-,2.0356,-,2.0356,https://www.genome.jp/dbget-bin/www_bget?dr:D08976
3803,D00510, Phenylbutazone (JP17/USP/INN), Butylpyrazolidines,M01AA01,MUSCULO-SKELETAL SYSTEM,C1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,308.374,3.9178,97.76100000000001,40.62,24,0,4,VYMDGNCVAMGZFE-UHFFFAOYSA-N,C19H20N2O2,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",-3.8089999999999997,-3.8054,-1.3098,-1.3087,-1.0383,-1.0333,0.6105,0.6122,0.6651,0.6691,0.995,D00510_M01AA01,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000884000c009001700c003800e8090000004100000000000021020000002000000000002000060000000058000000000106400100,04000000003001,070000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000820008404e90120be4bd0612dee1f,0,12,31,2,0,5,43,45,-9.32,-0.33799999999999997,0,,0.252775133,+,0.7661,-,0.7661,https://www.genome.jp/dbget-bin/www_bget?dr:D00510
3804,D00510, Phenylbutazone (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA01,MUSCULO-SKELETAL SYSTEM,C1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,308.374,3.9178,97.76100000000001,40.62,24,0,4,VYMDGNCVAMGZFE-UHFFFAOYSA-N,C19H20N2O2,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",-3.807,-3.8065,-1.3130000000000002,-1.3129,-1.0375,-1.0311,0.6119,0.6124,0.6631,0.6645,0.9976,D00510_M02AA01,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000884000c009001700c003800e8090000004100000000000021020000002000000000002000060000000058000000000106400100,04000000003001,070000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000820008404e90120be4bd0612dee1f,0,12,31,2,0,5,43,45,-9.32,-0.33799999999999997,0,,0.252775133,+,0.7661,-,0.7661,https://www.genome.jp/dbget-bin/www_bget?dr:D00510
3805,D07262, Mofebutazone (INN), Butylpyrazolidines,M01AA02,MUSCULO-SKELETAL SYSTEM,N1N(C(=O)[C@H](C1=O)CCCC)c1ccccc1,232.278,2.2646,72.6217,49.41,20,1,4,REOJLIXKJWXUGB-NSHDSACASA-N,C13H16N2O2,CCCCC1C(=O)NN(C1=O)c1ccccc1,"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)/t11-/m0/s1",-3.8375,-3.824,-2.5563,-2.2618,-1.5328,-1.3192,0.9474,1.0005,1.0113,1.4719,1.5281,D07262_M01AA02,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000880000c009001700c003800c8090000004100000000000021020000002000000000002000060000000018000000000106400100,0400000000b001,070000000000000000008000000000000000000000000000000000000000000000000600402805,0000000000000820108404ef0120be4bd0616cee1f,0,6,26,2,0,4,33,34,-9.402000000000001,-0.122,1,-1.0,0.064007446,+,0.3944,-,0.3944,https://www.genome.jp/dbget-bin/www_bget?dr:D07262
3806,D07262, Mofebutazone (INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA02,MUSCULO-SKELETAL SYSTEM,N1N(C(=O)[C@H](C1=O)CCCC)c1ccccc1,232.278,2.2646,72.6217,49.41,20,1,4,REOJLIXKJWXUGB-NSHDSACASA-N,C13H16N2O2,CCCCC1C(=O)NN(C1=O)c1ccccc1,"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)/t11-/m0/s1",-3.8427,-3.8221,-2.5577,-2.2639,-1.5359,-1.3135,0.9422,0.9957,1.0123,1.4563,1.5297,D07262_M02AA02,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000880000c009001700c003800c8090000004100000000000021020000002000000000002000060000000018000000000106400100,0400000000b001,070000000000000000008000000000000000000000000000000000000000000000000600402805,0000000000000820108404ef0120be4bd0616cee1f,0,6,26,2,0,4,33,34,-9.402000000000001,-0.122,1,-1.0,0.064007446,+,0.3944,-,0.3944,https://www.genome.jp/dbget-bin/www_bget?dr:D07262
3807,D08324, Oxyphenbutazone (INN), Butylpyrazolidines,M01AA03,MUSCULO-SKELETAL SYSTEM,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.8064,-3.8026,-1.3172,-1.3163,-1.0347,-1.0343,0.6118,0.6641,0.6665,0.6667,1.0018,D08324_M01AA03,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.229,-0.34,1,0.0,0.15777260099999998,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D08324
3808,D08324, Oxyphenbutazone (INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA04,MUSCULO-SKELETAL SYSTEM,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.8125,-3.8119,-1.3147,-1.3139,-1.0349,-1.0339,0.6132,0.6634,0.665,0.6664,0.9997,D08324_M02AA04,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.229,-0.34,1,0.0,0.15777260099999998,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D08324
3809,D08324, Oxyphenbutazone (INN)," Antiinflammatory agents, non-steroids",S01BC02,SENSORY ORGANS,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.8209,-3.8117,-1.3256,-1.3241,-1.0344,-1.0307,0.611,0.6625,0.6649,0.6666,1.0098,D08324_S01BC02,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.229,-0.34,1,0.0,0.15777260099999998,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D08324
3810,D05319, Oxyphenbutazone hydrate, Butylpyrazolidines,M01AA03,MUSCULO-SKELETAL SYSTEM,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.812,-3.8115,-1.3125,-1.3125,-1.0345,-1.0334,0.6134,0.6637,0.6648,0.6675,0.998,D05319_M01AA03,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.23,-0.33799999999999997,1,1.0,0.157717407,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D05319
3811,D05319, Oxyphenbutazone hydrate," Antiinflammatory preparations, non-steroids for topical use",M02AA04,MUSCULO-SKELETAL SYSTEM,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.8384,-3.8254,-1.3124,-1.3121,-1.0354,-1.0295,0.6152,0.6601,0.6607,0.6648,0.9988,D05319_M02AA04,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.23,-0.33799999999999997,1,1.0,0.157717407,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D05319
3812,D05319, Oxyphenbutazone hydrate," Antiinflammatory agents, non-steroids",S01BC02,SENSORY ORGANS,[C@@H]1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccc(cc1)O,324.374,3.6234,99.78399999999999,60.85,25,1,5,HFHZKZSRXITVMK-KRWDZBQOSA-N,C19H20N2O3,CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1",-3.8165,-3.8114,-1.3169,-1.3153,-1.0327,-1.0327,0.6122,0.6627,0.6657,0.6694,1.0016,D05319_S01BC02,080300000000000013000e00008000018000001000000404000000000000000010003000006800601006001c000010e0010022003420000c000000000000040048000000c0000220000030006a84000c009001700c003800e8090000004100000000000021020002002000000000002000060000000058200800000106400100,0400000402b001,070000000000000000008000000000000000000000010000000000000000000000000600402807,0000000000000820008404e90120bf4bd065affe1f,0,12,32,2,0,5,44,46,-9.23,-0.33799999999999997,1,1.0,0.157717407,+,0.7497,-,0.7497,https://www.genome.jp/dbget-bin/www_bget?dr:D05319
3813,D07263, Clofezone (JAN/INN), Butylpyrazolidines,M01AA05,MUSCULO-SKELETAL SYSTEM,C1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,308.374,3.9178,97.76100000000001,40.62,24,0,4,VYMDGNCVAMGZFE-UHFFFAOYSA-N,C19H20N2O2,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",-3.8299,-3.8225,-1.3107,-1.3088,-1.0362,-1.0328,0.6115,0.6129,0.6637,0.6683,0.9963,D07263_M01AA05,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000884000c009001700c003800e8090000004100000000000021020000002000000000002000060000000058000000000106400100,04000000003001,070000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000820008404e90120be4bd0612dee1f,0,12,31,2,0,5,43,45,-9.329,-0.34299999999999997,0,-1.0,0.25284540699999997,+,0.7661,-,0.7661,https://www.genome.jp/dbget-bin/www_bget?dr:D07263
3814,D07263, Clofezone (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA03,MUSCULO-SKELETAL SYSTEM,C1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,308.374,3.9178,97.76100000000001,40.62,24,0,4,VYMDGNCVAMGZFE-UHFFFAOYSA-N,C19H20N2O2,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",-3.8085,-3.8083,-1.3083,-1.3073,-1.0352,-1.034,0.6103,0.6127,0.6652,0.6661,0.9937,D07263_M02AA03,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030000884000c009001700c003800e8090000004100000000000021020000002000000000002000060000000058000000000106400100,04000000003001,070000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000820008404e90120be4bd0612dee1f,0,12,31,2,0,5,43,45,-9.329,-0.34299999999999997,0,-1.0,0.25284540699999997,+,0.7661,-,0.7661,https://www.genome.jp/dbget-bin/www_bget?dr:D07263
3815,D01567, Ketophenylbutazone (JAN), Butylpyrazolidines,M01AA06,MUSCULO-SKELETAL SYSTEM,C1(CCC(=O)C)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,322.358,3.0968,97.961,57.69,23,0,5,LGYTZKPVOAIUKX-UHFFFAOYSA-N,C19H18N2O3,CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",-3.8127,-3.8103,-2.9885,-1.3047,-1.3046,-1.0377,0.8206,0.8267,0.835,0.946,0.9909,D01567_M01AA06,080300000000000013000e00008000018000001000000004000000000000000010003000006800601006001c000010e0010020003420000c000000000000040040000000c0000220000030001884000c009001700c003800e8090200004100000000000021020000002000000000002000060000000058000000000106400100,14000000003001,070000000000010000008000000000000000000000000000000000000000000000000600402803,0000000000000820008404e90120bc4bd861afee1f,0,12,29,3,0,5,42,44,-9.389,-0.396,0,1.0,0.147539943,+,1.0452,-,1.0452,https://www.genome.jp/dbget-bin/www_bget?dr:D01567
3816,D00120, Sulindac (JP17/USP/INN), Acetic acid derivatives and related substances,M01AB02,MUSCULO-SKELETAL SYSTEM,c12c(C(=C(/C/1=C/c1ccc(cc1)[S@](=O)C)C)CC(=O)O)cc(cc2)F,356.411,5.2312,98.3473,73.58,19,1,3,MLKXDPUZXIRXEP-LQVWSKNFSA-N,C20H17FO3S,OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1",-4.5597,-4.4168,-1.335,-1.1632,-0.774,-0.6754,0.4248,0.4834,0.5926,1.2479,2.366,D00120_M01AB02,20060105400000040280020800005000210000400020408001000080000800011900400840c88001000a001810011080012810008800604080001002000400040e00080006002880001021000080000408900070000310084028b8004008000003040000c1100081132080000000006000029102810b92000012840000020800,0400000c00b103,130000000000000000008800000000000000000000080000000100000000000000004240402805,000000000002069c0409c190b405080ca8843bd61e,1,12,28,4,0,4,42,44,-4.57,1.087,0,-1.0,0.000407315,-,1.3666,-,1.3666,https://www.genome.jp/dbget-bin/www_bget?dr:D00120
3817,D02355, Tolmetin (USAN/INN), Acetic acid derivatives and related substances,M01AB03,MUSCULO-SKELETAL SYSTEM,c1(C(=O)c2ccc(cc2)C)n(c(cc1)CC(=O)O)C,257.284,2.1916,72.0793,59.3,17,1,4,UPSPUYADGBWSHF-UHFFFAOYSA-N,C15H15NO3,OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",-4.579,-4.3992,-3.803,-1.3321,-1.3243,-1.2302,0.8673,0.9141,1.1179,1.5034,2.376,D02355_M01AB03,000400200072008043000600840008000010004010000008800000e0000000001c04440000208021008a061800000000000000000000200005000002008000188c000c000004064000001000008000030098814024800808c008080000010000001110010000000000000800e00000000006015000110000004800000a000000,1400000c00b003,030000000000010000008800000000000001000000008800000000000000000000000640403800,0000000000000000010414d0814008078885bafe1f,0,11,22,2,0,4,34,35,-4.645,1.819,0,,3.79431e-05,+,0.8277,-,0.8277,https://www.genome.jp/dbget-bin/www_bget?dr:D02355
3818,D02355, Tolmetin (USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA21,MUSCULO-SKELETAL SYSTEM,c1(C(=O)c2ccc(cc2)C)n(c(cc1)CC(=O)O)C,257.284,2.1916,72.0793,59.3,17,1,4,UPSPUYADGBWSHF-UHFFFAOYSA-N,C15H15NO3,OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",-4.5579,-4.4372,-3.7952,-1.3365,-1.3234,-1.2393,0.9785,1.0147,1.0985,1.5056,2.3749,D02355_M02AA21,000400200072008043000600840008000010004010000008800000e0000000001c04440000208021008a061800000000000000000000200005000002008000188c000c000004064000001000008000030098814024800808c008080000010000001110010000000000000800e00000000006015000110000004800000a000000,1400000c00b003,030000000000010000008800000000000001000000008800000000000000000000000640403800,0000000000000000010414d0814008078885bafe1f,0,11,22,2,0,4,34,35,-4.645,1.819,0,,3.79431e-05,+,0.8277,-,0.8277,https://www.genome.jp/dbget-bin/www_bget?dr:D02355
3819,D00158, Tolmetin sodium (JAN/USP), Acetic acid derivatives and related substances,M01AB03,MUSCULO-SKELETAL SYSTEM,c1(C(=O)c2ccc(cc2)C)n(c(cc1)CC(=O)O)C,257.284,2.1916,72.0793,59.3,17,1,4,UPSPUYADGBWSHF-UHFFFAOYSA-N,C15H15NO3,OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",-4.5711,-4.407,-3.7915,-1.3357,-1.3266,-1.2363,0.8828,0.9247,1.1206,1.506,2.3789,D00158_M01AB03,000400200072008043000600840008000010004010000008800000e0000000001c04440000208021008a061800000000000000000000200005000002008000188c000c000004064000001000008000030098814024800808c008080000010000001110010000000000000800e00000000006015000110000004800000a000000,1400000c00b003,030000000000010000008800000000000001000000008800000000000000000000000640403800,0000000000000000010414d0814008078885bafe1f,0,11,22,2,0,4,34,35,-4.646,1.8159999999999998,0,0.0,3.79219e-05,-,0.7606,-,0.7606,https://www.genome.jp/dbget-bin/www_bget?dr:D00158
3820,D00158, Tolmetin sodium (JAN/USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA21,MUSCULO-SKELETAL SYSTEM,c1(C(=O)c2ccc(cc2)C)n(c(cc1)CC(=O)O)C,257.284,2.1916,72.0793,59.3,17,1,4,UPSPUYADGBWSHF-UHFFFAOYSA-N,C15H15NO3,OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",-4.5682,-4.38,-3.7908,-1.3308,-1.3192,-1.2416,0.9911,1.0529,1.099,1.5107,2.3682,D00158_M02AA21,000400200072008043000600840008000010004010000008800000e0000000001c04440000208021008a061800000000000000000000200005000002008000188c000c000004064000001000008000030098814024800808c008080000010000001110010000000000000800e00000000006015000110000004800000a000000,1400000c00b003,030000000000010000008800000000000001000000008800000000000000000000000640403800,0000000000000000010414d0814008078885bafe1f,0,11,22,2,0,4,34,35,-4.646,1.8159999999999998,0,0.0,3.79219e-05,-,0.7606,-,0.7606,https://www.genome.jp/dbget-bin/www_bget?dr:D00158
3821,D06382, Zomepirac sodium (USAN), Acetic acid derivatives and related substances,M01AB04,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)C(=O)c1n(c(cc1C)CC(=O)O)C)Cl,291.73,2.845,77.0893,59.3,16,1,4,ZXVNMYWKKDOREA-UHFFFAOYSA-N,C15H14ClNO3,OC(=O)Cc1cc(c(n1C)C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)",-4.5405,-4.4614,-3.8004,-1.339,-1.3131,-1.2423,0.9573,0.9713,1.1345,1.499,2.3804,D06382_M01AB04,200402200072008043000600840008020450004010000408800000e0002004001c04440000608021008b061800000000000000000000200005008082008000188c000c000004064000803000a48000030098814024800808d008080000010000001110010004000000800800e00000001006015000110000004800000a800000,1400000c00b003,030000000000010000008800000000000001000000048800000000000000000000000640403800,0000000000000000010454d0c14c0807a885bafe1f,0,11,22,2,0,4,34,35,-4.7010000000000005,1.47,0,0.0,0.000114196,-,0.9874,-,0.9874,https://www.genome.jp/dbget-bin/www_bget?dr:D06382
3822,D01252, Alclofenac (JAN/USP/INN), Acetic acid derivatives and related substances,M01AB06,MUSCULO-SKELETAL SYSTEM,c1(c(cc(cc1)CC(=O)O)Cl)OCC=C,226.65599999999998,2.5319,58.6288,46.53,13,1,3,ARHWPKZXBHOEEE-UHFFFAOYSA-N,C11H11ClO3,C=CCOc1ccc(cc1Cl)CC(=O)O,"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",-4.5559,-4.4629,-1.5259,-1.3341,-1.1597,-0.7879,0.6003,0.6275,0.9286,1.2792,2.3801,D01252_M01AB06,10040200002000040200020000020000000000000000120000880080002000001000500000000001000b0008000000000100020010000000000000020000000808000800090004c10000000006808003009800400000000840080800000000000004000000000406000000004010000000024100080100202800000400800004,0400000c50b003,120002000000000000008800000000000000000000040000000000000000000000000200402800,000000000200000000004000c414016428c4a2571e,0,6,18,2,0,5,26,26,-4.481,2.843,0,,3.47993e-05,-,0.1865,-,0.1865,https://www.genome.jp/dbget-bin/www_bget?dr:D01252
3823,D07264, Bumadizone (INN), Acetic acid derivatives and related substances,M01AB07,MUSCULO-SKELETAL SYSTEM,c1(NN(C(=O)[C@H](C(=O)O)CCCC)c2ccccc2)ccccc1,326.39,4.0107,95.4825,69.64,26,2,5,FLWFHHFTIRLFPV-QGZVFWFLSA-N,C19H22N2O3,CCCCC(C(=O)N(c1ccccc1)Nc1ccccc1)C(=O)O,"InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)/t17-/m1/s1",-4.5503,-4.5162,-3.7575,-2.9196,-1.7593,-1.7026,1.2128,1.2153,1.4229,2.0871,2.4165,D07264_M01AB07,080300000000000003000e0000800001800000100000000400000000000000001000300080290061100e001c000010c0010020003420c00c000000000000040048000800c0000220000090000884001c009003700c003800c0080000004100000000000020020000002000000000082000060000000058000000000106400100,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402805,00000000000008001000006f01203e0ed4244ffe1f,0,12,33,2,0,9,46,47,-4.588,2.384,1,0.0,0.00027319299999999997,+,0.539,-,0.539,https://www.genome.jp/dbget-bin/www_bget?dr:D07264
3824,D07549, Bumadizone calcium salt hemihydrate, Acetic acid derivatives and related substances,M01AB07,MUSCULO-SKELETAL SYSTEM,c1(NN(C(=O)[C@H](C(=O)O)CCCC)c2ccccc2)ccccc1,326.39,4.0107,95.4825,69.64,26,2,5,FLWFHHFTIRLFPV-QGZVFWFLSA-N,C19H22N2O3,CCCCC(C(=O)N(c1ccccc1)Nc1ccccc1)C(=O)O,"InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)/t17-/m1/s1",-4.6075,-4.4791,-3.7627,-2.9351,-1.9480000000000002,-1.9012,1.3219999999999998,1.6361,1.729,2.0903,2.4248,D07549_M01AB07,080300000000000003000e0000800001800000100000000400000000000000001000300080290061100e001c000010c0010020003420c00c000000000000040048000800c0000220000090000884001c009003700c003800c0080000004100000000000020020000002000000000082000060000000058000000000106400100,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402805,00000000000008001000006f01203e0ed4244ffe1f,0,12,33,2,0,9,46,47,-4.588,2.387,1,0.0,0.00027349,+,0.5072,-,0.5072,https://www.genome.jp/dbget-bin/www_bget?dr:D07549
3825,D00315, Etodolac (JP17/USP/INN), Acetic acid derivatives and related substances,M01AB08,MUSCULO-SKELETAL SYSTEM,c12CCO[C@@](c1[nH]c1c2cccc1CC)(CC(=O)O)CC,287.35400000000004,3.383,82.6645,62.32,23,2,3,NNYBQONXHNTVIJ-QGZVFWFLSA-N,C17H21NO3,CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1",-4.5581,-4.4145,-2.5319,-1.5671,-1.4559,-1.4096,1.0585,1.1065,1.1201,1.6825,2.3731,D00315_M01AB08,2004002000020440020c820005020000000000004000080801220080002c040010014080c25080a1688a000820010144010040001a04600504008006008000180c000c0240000e000080610080880014009881500480100850280801000b400041000000003000110240200071500c001002015000050002004800014a000100,0400000c30b003,038000000000000000008800000000000000000000008400000000000000000000004600402804,0000000000000001030004c79299aa850d85d7df1f,0,10,33,1,0,4,42,44,-4.442,2.537,1,1.0,0.000504951,+,0.6489,-,0.6489,https://www.genome.jp/dbget-bin/www_bget?dr:D00315
3826,D07265, Lonazolac (INN), Acetic acid derivatives and related substances,M01AB09,MUSCULO-SKELETAL SYSTEM,c1c(c(nn1c1ccccc1)c1ccc(cc1)Cl)CC(=O)O,312.75,3.8198,85.5548,55.12,15,1,4,XVUQHFRQHBLHQD-UHFFFAOYSA-N,C17H13ClN2O2,OC(=O)Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)",-4.5703,-4.4669,-4.4034,-1.8732,-1.7807,-1.4736,1.2764,1.3682,1.4812,1.5159,2.3794,D07265_M01AB09,a0040283002206400808461084410004600800000000061400010080002080001c40408300488031248b013800020040000022000001480400008082000002104c200c00400808a0000020201488000200b8006004000001c0080900040100000010000000204000026000004000080110060100800108a00902004216a00100,0400000c00b003,020000000000000000008800000000000000000000049800000000000000000000000600403800,0000000000000820018444a0c004800f78a5297e1f,0,17,19,1,0,4,35,37,-4.57,2.0580000000000003,0,0.0,0.000696102,+,0.619,-,0.619,https://www.genome.jp/dbget-bin/www_bget?dr:D07265
3827,D01975, Fentiazac (JAN/USAN/INN), Acetic acid derivatives and related substances,M01AB10,MUSCULO-SKELETAL SYSTEM,n1c(c(sc1c1ccccc1)CC(=O)O)c1ccc(cc1)Cl,329.801,4.7576,89.5408,78.43,14,1,4,JIEKMACRVQTPRC-UHFFFAOYSA-N,C17H12ClNO2S,OC(=O)Cc1sc(nc1c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)",-4.5712,-4.4034,-2.0086,-1.3317,-1.1692,-1.081,0.6989,0.8178,1.1851,1.5128,2.3783,D01975_M01AB10,0000030300281020001826040c40020044120000000a24000001108c003084021000411000400021800b0828000a0005010040801800000480600112000002100c000c00012042200100280014800006009a0050000a00005148481000044200c8c0190c8020404000000210404000001622011000090000010000000a800200,0400000c00b003,02000000000000000000880000000000000000000004d000000000000000000000000600403800,00000000084000200100c580c00480052885215e1f,0,17,18,1,0,4,34,36,-4.737,1.797,0,1.0,0.006676311,+,0.965,-,0.965,https://www.genome.jp/dbget-bin/www_bget?dr:D01975
3828,D01975, Fentiazac (JAN/USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA14,MUSCULO-SKELETAL SYSTEM,n1c(c(sc1c1ccccc1)CC(=O)O)c1ccc(cc1)Cl,329.801,4.7576,89.5408,78.43,14,1,4,JIEKMACRVQTPRC-UHFFFAOYSA-N,C17H12ClNO2S,OC(=O)Cc1sc(nc1c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)",-4.5428,-4.4285,-2.0094,-1.3271,-1.162,-1.1489,0.688,0.7903,1.2093,1.5015,2.3705,D01975_M02AA14,0000030300281020001826040c40020044120000000a24000001108c003084021000411000400021800b0828000a0005010040801800000480600112000002100c000c00012042200100280014800006009a0050000a00005148481000044200c8c0190c8020404000000210404000001622011000090000010000000a800200,0400000c00b003,02000000000000000000880000000000000000000004d000000000000000000000000600403800,00000000084000200100c580c00480052885215e1f,0,17,18,1,0,4,34,36,-4.737,1.797,0,1.0,0.006676311,+,0.965,-,0.965,https://www.genome.jp/dbget-bin/www_bget?dr:D01975
3829,D01582, Acemetacin (JP17/INN), Acetic acid derivatives and related substances,M01AB11,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OCC(=O)O,415.824,3.4705,107.02,94.83,23,1,7,FSQKKOOTNAMONP-UHFFFAOYSA-N,C21H18ClNO6,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,"InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",-4.5666,-4.399,-4.3888,-3.2837,-2.9969,-2.2499,1.8311,2.0067,2.0404,2.1319,2.3573,D01582_M01AB11,20040202002204804b080600040200042000001000001608000100c0002404001400508900408025188f021820000140000202000004280504008083000083180c800c0a41000ec1008060006688000300f8014004000008c0380800000050804010000000200c0600000000605004001807015088051020080a00000a800000,0400000c70b007,030002000000000000009800120000000001000000048800000000000000000000004640403801,000000000000000081045498d0351967a9cdbbff1f,0,16,30,3,0,8,47,49,-4.72,0.672,0,-1.0,0.002580677,+,1.6418,-,1.6418,https://www.genome.jp/dbget-bin/www_bget?dr:D01582
3830,D07266, Oxametacin (INN), Acetic acid derivatives and related substances,M01AB13,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)NO,372.80199999999996,3.739,98.0807,80.56,22,2,6,AJRNYCDWNITGHF-UHFFFAOYSA-N,C19H17ClN2O4,ONC(=O)Cc1c(C)n(c2c1cc(OC)cc2)C(=O)c1ccc(cc1)Cl,"InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)",-3.7880000000000003,-3.2552,-2.3563,-2.0709999999999997,-1.599,-1.506,1.348,1.4265,1.4321,1.4558,1.4713,D07266_M01AB13,20042600002204804f000600040200040000001000001608000100c0002004001400508101408020188702180000004000020600000428010c008083000081001c000402410002c1008060006688001300b8014004000008c0080900000050800010000000200c0600000000205004001807015188011060180a000002800000,0400000050b001,030002000000000000008000122000000001000000048800000000000000000000004640403800,0000800000000000d90454baf065196bacedfbfe1f,0,16,27,2,0,6,43,45,-8.887,-0.833,0,2.0,0.38700950100000003,-,1.2234,-,1.2234,https://www.genome.jp/dbget-bin/www_bget?dr:D07266
3831,D08427, Proglumetacin (INN), Acetic acid derivatives and related substances,M01AB14,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OCC[N@@H+]1CC[N@@H+](CC1)CCCOC(=O)CC[C@@H](C(=O)N(CCC)CCC)NC(=O)c1ccccc1,846.45,6.8593,242.106,142.12,70,3,11,PTXGHCGBYMQQIG-FAIXQHPJSA-P,C46H60ClN5O8++,CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCC[NH+]1CC[NH+](CC1)CCOC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl)CCC,"InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)/p+2/t40-/m0/s1",-6.0288,-5.9768,-4.5599,-4.5495,-4.5238,-4.5178,2.2642,2.3484,2.3499,2.3609999999999998,2.6207,D08427_M01AB14,202e8200006204a04f0806000403000c0100009000021608000100c0012404101c005083a1408033188f063820000140010202000004e805040080830000a7180c100c0249141ec100a068017688000700b8014004002008c0380b00000050804810002200200c0600000000e0501c00180701d488031020083a00014a800300,0500000070f005,0300420204000000000090001a0000000001000000048800000000000000000000004640c03a05,0000000000002100014476dedb7dbfe7adfbffff1f,0,22,97,5,0,26,120,124,-11.855,-8.344,1,-2.0,6.332100000000001e-06,+,7.9704,-,7.9704,https://www.genome.jp/dbget-bin/www_bget?dr:D08427
3832,D01765, Proglumetacin maleate (JAN), Acetic acid derivatives and related substances,M01AB14,MUSCULO-SKELETAL SYSTEM,c1(c(C)n(c2c1cc(cc2)OC)C(=O)c1ccc(cc1)Cl)CC(=O)OCC[N@@H+]1CC[N@@H+](CC1)CCCOC(=O)CC[C@@H](C(=O)N(CCC)CCC)NC(=O)c1ccccc1,846.45,6.8593,242.106,142.12,70,3,11,PTXGHCGBYMQQIG-FAIXQHPJSA-P,C46H60ClN5O8++,CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCC[NH+]1CC[NH+](CC1)CCOC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl)CCC,"InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)/p+2/t40-/m0/s1",-6.0148,-6.0,-4.5548,-4.5502,-4.5467,-4.5315,2.2919,2.3528,2.3572,2.3653,2.5847,D01765_M01AB14,202e8200006204a04f0806000403000c0100009000021608000100c0012404101c005083a1408033188f063820000140010202000004e805040080830000a7180c100c0249141ec100a068017688000700b8014004002008c0380b00000050804810002200200c0600000000e0501c00180701d488031020083a00014a800300,0500000070f005,0300420204000000000090001a0000000001000000048800000000000000000000004640c03a05,0000000000002100014476dedb7dbfe7adfbffff1f,0,22,97,5,0,26,120,124,-11.850999999999999,-8.347000000000001,1,,2.5416100000000002e-05,+,7.9704,-,7.9704,https://www.genome.jp/dbget-bin/www_bget?dr:D01765
3833,D08104, Ketorolac (INN), Acetic acid derivatives and related substances,M01AB15,MUSCULO-SKELETAL SYSTEM,n12c([C@@H](CC2)C(=O)O)ccc1C(=O)c1ccccc1,255.269,2.291,69.8063,59.3,15,1,4,OZWKMVRBQXNZKK-LLVKDONJSA-N,C15H13NO3,OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1",-4.5653,-4.4038,-3.7933,-1.3342,-1.3324,-1.2491,0.8961,0.9611,1.1332,1.4994,2.381,D08104_M01AB15,00040020807200a04b008600840008000010005010000008800000e0000000001c04540000208029108a061800010000010000000800600885000006008000188c000c0000040ec000001000008000070098814024801808c008081000091000001110210000000000000800e00010000006015000111000005a00000a000200,1400000c00b003,060000000000010000008800000000000001000000008800000000000000000000004640403804,0000000000000000010014c61941200780858e7b1f,0,11,21,2,0,3,32,34,-4.758,1.8359999999999999,1,0.0,1.9770999999999998e-05,+,1.3906,-,1.3906,https://www.genome.jp/dbget-bin/www_bget?dr:D08104
3834,D08104, Ketorolac (INN)," Antiinflammatory agents, non-steroids",S01BC05,SENSORY ORGANS,n12c([C@@H](CC2)C(=O)O)ccc1C(=O)c1ccccc1,255.269,2.291,69.8063,59.3,15,1,4,OZWKMVRBQXNZKK-LLVKDONJSA-N,C15H13NO3,OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1",-4.5561,-4.4298,-3.7983,-1.3383,-1.33,-1.247,0.8824,0.9593,1.1073,1.4965,2.3819999999999997,D08104_S01BC05,00040020807200a04b008600840008000010005010000008800000e0000000001c04540000208029108a061800010000010000000800600885000006008000188c000c0000040ec000001000008000070098814024801808c008081000091000001110210000000000000800e00010000006015000111000005a00000a000200,1400000c00b003,060000000000010000008800000000000001000000008800000000000000000000004640403804,0000000000000000010014c61941200780858e7b1f,0,11,21,2,0,3,32,34,-4.758,1.8359999999999999,1,0.0,1.9770999999999998e-05,+,1.3906,-,1.3906,https://www.genome.jp/dbget-bin/www_bget?dr:D08104
3835,D00813, Ketorolac tromethamine (USP), Acetic acid derivatives and related substances,M01AB15,MUSCULO-SKELETAL SYSTEM,n12c([C@@H](CC2)C(=O)O)ccc1C(=O)c1ccccc1,255.269,2.291,69.8063,59.3,15,1,4,OZWKMVRBQXNZKK-LLVKDONJSA-N,C15H13NO3,OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1",-4.5652,-4.4062,-3.7929,-1.3345,-1.3336,-1.2454,0.9127,0.9739,1.1283,1.4991,2.3802,D00813_M01AB15,00040020807200a04b008600840008000010005010000008800000e0000000001c04540000208029108a061800010000010000000800600885000006008000188c000c0000040ec000001000008000070098814024801808c008081000091000001110210000000000000800e00010000006015000111000005a00000a000200,1400000c00b003,060000000000010000008800000000000001000000008800000000000000000000004640403804,0000000000000000010014c61941200780858e7b1f,0,11,21,2,0,3,32,34,-4.7589999999999995,1.838,1,-1.0,1.9765e-05,+,1.3906,-,1.3906,https://www.genome.jp/dbget-bin/www_bget?dr:D00813
3836,D00813, Ketorolac tromethamine (USP)," Antiinflammatory agents, non-steroids",S01BC05,SENSORY ORGANS,n12c([C@@H](CC2)C(=O)O)ccc1C(=O)c1ccccc1,255.269,2.291,69.8063,59.3,15,1,4,OZWKMVRBQXNZKK-LLVKDONJSA-N,C15H13NO3,OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1",-4.5638,-4.4126,-3.7979,-1.3333,-1.3329,-1.2462,0.9732,0.9895,1.1302,1.4984,2.3802,D00813_S01BC05,00040020807200a04b008600840008000010005010000008800000e0000000001c04540000208029108a061800010000010000000800600885000006008000188c000c0000040ec000001000008000070098814024801808c008081000091000001110210000000000000800e00010000006015000111000005a00000a000200,1400000c00b003,060000000000010000008800000000000001000000008800000000000000000000004640403804,0000000000000000010014c61941200780858e7b1f,0,11,21,2,0,3,32,34,-4.7589999999999995,1.838,1,-1.0,1.9765e-05,+,1.3906,-,1.3906,https://www.genome.jp/dbget-bin/www_bget?dr:D00813
3837,D01545, Aceclofenac (JAN/INN), Acetic acid derivatives and related substances,M01AB16,MUSCULO-SKELETAL SYSTEM,c1cc(c(c(c1)Cl)Nc1ccccc1CC(=O)OCC(=O)O)Cl,354.185,3.9803,88.4495,75.63,17,2,4,MNIPYSSQXLZQLJ-UHFFFAOYSA-N,C16H13Cl2NO4,OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",-4.5454,-4.4553,-4.4089,-3.4075,-3.0134,-2.2019,1.7444,2.0455,2.0748,2.1189,2.3676,D01545_M01AB16,00040222002000000210260008820000a01000000800000200060080002400001400400800000025000b004820040140000000000200000c00000082008006080880080840000640000400000480000300d800600400210841080800002000004000000810000000200000004000000000020100000500000000000002800000,0400000c30b027,020040100000000000009800000000000000000000040000000000000000000000000200402801,000000000000000080004002c0140024fd8c637f1f,0,12,23,2,0,7,36,37,-4.716,1.3330000000000002,0,,0.0009688969999999999,+,0.5521,-,0.5521,https://www.genome.jp/dbget-bin/www_bget?dr:D01545
3838,D01545, Aceclofenac (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA25,MUSCULO-SKELETAL SYSTEM,c1cc(c(c(c1)Cl)Nc1ccccc1CC(=O)OCC(=O)O)Cl,354.185,3.9803,88.4495,75.63,17,2,4,MNIPYSSQXLZQLJ-UHFFFAOYSA-N,C16H13Cl2NO4,OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",-4.5546,-4.4712,-4.4335,-3.3794,-2.9857,-1.9653,1.5745,1.9201,1.9626,2.1180000000000003,2.3711,D01545_M02AA25,00040222002000000210260008820000a01000000800000200060080002400001400400800000025000b004820040140000000000200000c00000082008006080880080840000640000400000480000300d800600400210841080800002000004000000810000000200000004000000000020100000500000000000002800000,0400000c30b027,020040100000000000009800000000000000000000040000000000000000000000000200402801,000000000000000080004002c0140024fd8c637f1f,0,12,23,2,0,7,36,37,-4.716,1.3330000000000002,0,,0.0009688969999999999,+,0.5521,-,0.5521,https://www.genome.jp/dbget-bin/www_bget?dr:D01545
3839,D01271, Bufexamac (JAN/INN), Acetic acid derivatives and related substances,M01AB17,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)CC(=O)NO)OCCCC,223.268,2.3043,60.8592,58.56,21,2,4,MXJWRABVEGLYDG-UHFFFAOYSA-N,C12H17NO3,CCCCOc1ccc(cc1)CC(=O)NO,"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",-3.8096,-2.3404,-2.0731,-1.6256,-1.5130000000000001,-1.2011,1.1,1.3603,1.4236,1.4451,1.4678,D01271_M01AB17,0004200000200000060006000002000400000000000012000000008000000000100040810000000100060018000000000100060000004000040000020000000018200800010000510000000002808001009000400000000840080800000000000000000000000402000000020010000000070100080100601800000000000004,0400000050b001,030002000000000000008000002000000000000000000000000000000000000000000200402800,0000800000000000d800002aa0703f680c44c6ff1f,0,6,26,1,0,7,33,33,-9.215,0.551,0,0.0,0.039469007,-,0.2284,-,0.2284,https://www.genome.jp/dbget-bin/www_bget?dr:D01271
3840,D01271, Bufexamac (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA09,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)CC(=O)NO)OCCCC,223.268,2.3043,60.8592,58.56,21,2,4,MXJWRABVEGLYDG-UHFFFAOYSA-N,C12H17NO3,CCCCOc1ccc(cc1)CC(=O)NO,"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",-3.8003,-2.3542,-2.0694,-1.5886,-1.5019999999999998,-1.2079,1.0994,1.3436,1.4252,1.4284,1.4495,D01271_M02AA09,0004200000200000060006000002000400000000000012000000008000000000100040810000000100060018000000000100060000004000040000020000000018200800010000510000000002808001009000400000000840080800000000000000000000000402000000020010000000070100080100601800000000000004,0400000050b001,030002000000000000008000002000000000000000000000000000000000000000000200402800,0000800000000000d800002aa0703f680c44c6ff1f,0,6,26,1,0,7,33,33,-9.215,0.551,0,0.0,0.039469007,-,0.2284,-,0.2284,https://www.genome.jp/dbget-bin/www_bget?dr:D01271
3841,D00127, Piroxicam (JP17/USP/INN), Oxicams,M01AC01,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3771,-9.3389,-8.316,-4.121,-3.5275,-2.8791,2.2612,2.4083,2.4943,2.5053,2.7501,D00127_M01AC01,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.198,-1.515,0,,0.078759939,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D00127
3842,D00127, Piroxicam (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA07,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3663,-9.3508,-8.3451,-4.133,-3.5089,-2.8827,2.2932,2.4074,2.496,2.5063,2.7468,D00127_M02AA07,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.198,-1.515,0,,0.078759939,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D00127
3843,D00127, Piroxicam (JP17/USP/INN)," Antiinflammatory agents, non-steroids",S01BC06,SENSORY ORGANS,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3664,-9.3263,-8.3281,-4.1205,-3.5251,-2.8799,2.2146,2.4055,2.489,2.5096,2.7489,D00127_S01BC06,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.198,-1.515,0,,0.078759939,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D00127
3844,D05511, Piroxicam betadex (USAN), Oxicams,M01AC01,MUSCULO-SKELETAL SYSTEM,[C@@H]12[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H](O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O2)CO)O)O)O)O)O)O)[C@@H]([C@H]1O)O)CO)CO,1134.98,-15.2306,226.68400000000003,554.05,105,21,35,WHGYBXFWUBPSRW-FOUAGVGXSA-N,C42H70O35,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",-3.1989,-3.1965,-3.1787,-3.1643,-3.1627,-3.157,2.3237,2.3499,2.4226,2.4298,2.4479,D05511_M01AC01,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,154,0,0,7,147,154,-9.885,0.618,35,-3.0,2.63198e-05,+,14.754000000000001,-,14.754000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D05511
3845,D05511, Piroxicam betadex (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA07,MUSCULO-SKELETAL SYSTEM,[C@@H]12[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H](O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O2)CO)O)O)O)O)O)O)[C@@H]([C@H]1O)O)CO)CO,1134.98,-15.2306,226.68400000000003,554.05,105,21,35,WHGYBXFWUBPSRW-FOUAGVGXSA-N,C42H70O35,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",-3.2019,-3.187,-3.1639,-3.1574,-3.157,-3.1559,2.3232,2.335,2.3409999999999997,2.4202,2.4793,D05511_M02AA07,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,154,0,0,7,147,154,-9.885,0.618,35,-3.0,2.63198e-05,+,14.754000000000001,-,14.754000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D05511
3846,D05511, Piroxicam betadex (USAN)," Antiinflammatory agents, non-steroids",S01BC06,SENSORY ORGANS,[C@@H]12[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H](O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O2)CO)O)O)O)O)O)O)[C@@H]([C@H]1O)O)CO)CO,1134.98,-15.2306,226.68400000000003,554.05,105,21,35,WHGYBXFWUBPSRW-FOUAGVGXSA-N,C42H70O35,OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",-3.2,-3.1731,-3.1724,-3.1716,-3.1691,-3.1674,2.2688,2.279,2.3054,2.3681,2.3881,D05511_S01BC06,000000000000a000000000000002000020000024000000000000000000040000100000080000000500000000200010000100000000a04011000000000000800008902a00000000000000800200000000008000400000000020000001002020004000000800280000000000004000288000018100000000000000000140000000,0000003c30a001,003800000001804000000000000000000000000000000000000000000000000000008401402004,000000000000200180000205021180440c4fa3551c,0,0,154,0,0,7,147,154,-9.885,0.618,35,-3.0,2.63198e-05,+,14.754000000000001,-,14.754000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D05511
3847,D05512, Piroxicam cinnamate (USAN), Oxicams,M01AC01,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1OC(=O)/C=C/c1ccccc1)C(=O)Nc1ncccc1)C)cccc2,461.49,4.3713,126.464,114.05,27,1,8,GPUVGQIASQNZET-CCEZHUSRSA-N,C24H19N3O5S,O=C(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C=Cc1ccccc1,"InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+",-9.3375,-9.3365,-8.4831,-4.755,-4.1022,-3.5316,2.4158,2.5162,2.533,2.7438,2.8046,D05512_M01AC01,f0033140025000560108162058d64208ac0505409130486005a0008c003400022a0260280068802021ce002e000014c00064e39018c067a801410012a02c06280c901c120200308203e11100008a00a408a0216004623840400a40e080858081006c8000900102824842000010800c000106f101204148010080808092426200,0400000030b005,1000000000000000000490000a0000014001000000009000000024000000000000004640436800,000000802910441e055d817937a3906fd2e9ebfa1f,0,18,31,6,0,7,52,55,-9.482999999999999,-1.645,0,1.0,0.892854333,-,1.694,-,1.694,https://www.genome.jp/dbget-bin/www_bget?dr:D05512
3848,D05512, Piroxicam cinnamate (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA07,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1OC(=O)/C=C/c1ccccc1)C(=O)Nc1ncccc1)C)cccc2,461.49,4.3713,126.464,114.05,27,1,8,GPUVGQIASQNZET-CCEZHUSRSA-N,C24H19N3O5S,O=C(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C=Cc1ccccc1,"InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+",-9.3932,-9.3921,-8.3562,-4.7439,-4.1295,-3.5135,2.4177,2.4945,2.5207,2.7423,3.0237,D05512_M02AA07,f0033140025000560108162058d64208ac0505409130486005a0008c003400022a0260280068802021ce002e000014c00064e39018c067a801410012a02c06280c901c120200308203e11100008a00a408a0216004623840400a40e080858081006c8000900102824842000010800c000106f101204148010080808092426200,0400000030b005,1000000000000000000490000a0000014001000000009000000024000000000000004640436800,000000802910441e055d817937a3906fd2e9ebfa1f,0,18,31,6,0,7,52,55,-9.482999999999999,-1.645,0,1.0,0.892854333,-,1.694,-,1.694,https://www.genome.jp/dbget-bin/www_bget?dr:D05512
3849,D05512, Piroxicam cinnamate (USAN)," Antiinflammatory agents, non-steroids",S01BC06,SENSORY ORGANS,c12c(S(=O)(=O)N(C(=C1OC(=O)/C=C/c1ccccc1)C(=O)Nc1ncccc1)C)cccc2,461.49,4.3713,126.464,114.05,27,1,8,GPUVGQIASQNZET-CCEZHUSRSA-N,C24H19N3O5S,O=C(OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2c1cccc2)C=Cc1ccccc1,"InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+",-9.4221,-9.3408,-8.3477,-4.7274,-4.1304,-3.4988,2.4131,2.4931,2.5193,2.7375,3.0257,D05512_S01BC06,f0033140025000560108162058d64208ac0505409130486005a0008c003400022a0260280068802021ce002e000014c00064e39018c067a801410012a02c06280c901c120200308203e11100008a00a408a0216004623840400a40e080858081006c8000900102824842000010800c000106f101204148010080808092426200,0400000030b005,1000000000000000000490000a0000014001000000009000000024000000000000004640436800,000000802910441e055d817937a3906fd2e9ebfa1f,0,18,31,6,0,7,52,55,-9.482999999999999,-1.645,0,1.0,0.892854333,-,1.694,-,1.694,https://www.genome.jp/dbget-bin/www_bget?dr:D05512
3850,D05513, Piroxicam olamine (USAN), Oxicams,M01AC01,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3705,-9.3444,-8.3563,-4.1183,-3.5234,-2.8794,2.0733,2.404,2.4821,2.4958,2.7807,D05513_M01AC01,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.195,-1.5119999999999998,0,0.0,0.078601122,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D05513
3851,D05513, Piroxicam olamine (USAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA07,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3718,-9.3404,-8.3567,-4.12,-3.5202,-2.8788,2.0889,2.4058,2.4851,2.5006,2.7874,D05513_M02AA07,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.195,-1.5119999999999998,0,0.0,0.078601122,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D05513
3852,D05513, Piroxicam olamine (USAN)," Antiinflammatory agents, non-steroids",S01BC06,SENSORY ORGANS,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncccc1)C)cccc2,331.346,2.6727,87.5245,107.98,20,2,7,QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",-9.3621,-9.3511,-8.3628,-4.1183,-3.5267,-2.8793,2.2541,2.4085,2.5104,2.5115,2.7507,D05513_S01BC06,e0033140025000540108162018d442088c010540902040400580008c002000022a006028006880202186002e000014c00064a3900080670801410012802c04200c901c000200308003a11100008800a008a0206004623800400a402080058081006c0000900002800840000000800c000106f101204148010080808092424200,0400000c00b001,0000000000000000800080000a000001c001000000009000000024000000000000004640407800,000000802910541e055d817937a3904bd6edebfa1f,0,12,22,4,0,3,36,38,-9.195,-1.5119999999999998,0,0.0,0.078601122,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D05513
3853,D01767, Tenoxicam (JAN/USAN/INN), Oxicams,M01AC02,MUSCULO-SKELETAL SYSTEM,S1(=O)(=O)N(C(=C(c2c1ccs2)O)C(=O)Nc1ncccc1)C,337.374,2.7342,85.4015,136.22,18,2,8,LZNWYQJJBLGYLT-UHFFFAOYSA-N,C13H11N3O4S2,O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)",-9.7382,-9.696,-8.7085,-4.1153,-3.5132,-2.8779,2.0858,2.3963,2.4807,2.489,2.898,D01767_M01AC02,e003f160025000540108162018d042088c0105c0802042400580000c00200002220060200068902081c6006e002014405064a3b00080678809418032a06c04220c901e000220108403a5150010a820a0a8202064646238004022442080058481006c0000904882800c40000000c12c000926f001204148000080408492424300,0400000c00b001,0000000000000000800080000a000001c00100000000d000000024000000000000004640407800,000000802910541e055d85f937a3904bd6edebfa1f,0,11,20,4,0,3,33,35,-9.0,-1.598,0,,0.114418164,-,1.3825,-,1.3825,https://www.genome.jp/dbget-bin/www_bget?dr:D01767
3854,D07267, Droxicam (INN), Oxicams,M01AC04,MUSCULO-SKELETAL SYSTEM,c1ccc2c(c1)c1c(N(S2(=O)=O)C)c(=O)n(c(=O)o1)c1ccccn1,357.341,2.137,92.314,110.86,17,0,8,OEHFRZLKGRKFAS-UHFFFAOYSA-N,C16H11N3O5S,O=c1oc2c(c(=O)n1c1ccccn1)N(C)S(=O)(=O)c1c2cccc1,"InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3",-9.3607,-9.3536,-8.3833,-5.2118,-4.1034,-2.8062,2.4998,2.5113,2.7808,2.8581,3.0965,D07267_M01AC04,6066010010581540c88046230944010edc181418a0850104010104e086201010080a78e9500880302088021ca10068c812602c4400067004026480828021060084020cc000003280a9016080018c0cc404b048600c212a04f008804048c109062014c80122841100286040a11600044024cef10205491801052ac06092204102,00000000003001,00000000000000000000800020000000404100010000b900000024000000000000004640402000,000040802900443f0555917933a3914fd2e9abea1f,0,18,17,4,0,1,36,39,-9.686,-1.7519999999999998,0,2.0,0.08526642599999999,-,1.3378,-,1.3378,https://www.genome.jp/dbget-bin/www_bget?dr:D07267
3855,D01866, Lornoxicam (JAN/USAN/INN), Oxicams,M01AC05,MUSCULO-SKELETAL SYSTEM,C1(=C(N(S(=O)(=O)c2c1sc(c2)Cl)C)C(=O)Nc1ccccn1)O,371.819,3.3876,90.4115,136.22,17,2,8,WLHQHAUOOXYABV-UHFFFAOYSA-N,C13H10ClN3O4S2,Clc1sc2c(c1)S(=O)(=O)N(C(=C2O)C(=O)Nc1ccccn1)C,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)",-9.7286,-9.7149,-8.7547,-4.1191,-3.5225,-2.8804,2.0482,2.3983,2.4955,2.4977,2.8986,D01866_M01AC05,e003f360025000540108162018d042088c0105c0803046400580100c00200006220060220068902083c7006e002014405064e3b00080678809418032a06c04220c901e000220108403a7150090b830a2a8282064646238004022466080058481006c0000904882800c40020000c12c000926f001204148000080408492c24300,0400000c00b001,0000000000000000800080000a000001c00100000004d000000024000000000000004640407800,000000802910541e055dc5f977a7904bf6edebfa1f,0,11,20,4,0,3,33,35,-9.174,-1.9340000000000002,0,,0.203199863,+,2.3795,-,2.3795,https://www.genome.jp/dbget-bin/www_bget?dr:D01866
3856,D00969, Meloxicam (JAN/USAN/INN), Oxicams,M01AC06,MUSCULO-SKELETAL SYSTEM,c12c(S(=O)(=O)N(C(=C1O)C(=O)Nc1ncc(s1)C)C)cccc2,351.401,3.0426,90.3675,136.22,20,2,8,ZRVUJXDFFKFLMG-UHFFFAOYSA-N,C14H13N3O4S2,Cc1cnc(s1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",-9.3797,-9.339,-8.3534,-4.1314,-3.1768,-2.7524,2.2852,2.4065,2.5017,2.5053,2.7408,D00969_M01AC06,e00321440250005401201e2038d442088c050540102040400588018c002004022840413800480060a116082a000004800064a3901080670081410012802c00200c901c000228308003a10100008000a800a42070006a3000420840208005808108cc02109081028008440000008008001306f101800148012080808092004300,0400000c00b001,0100000000000000800080000a000000c00120000000d000000024000000000000004640407800,000000800950541e055d85f937a3904bd6edfbfa1f,0,11,23,4,0,3,36,38,-9.111,-1.5619999999999998,0,,0.13902545,-,1.4651,-,1.4651,https://www.genome.jp/dbget-bin/www_bget?dr:D00969
3857,D00132, Ketoprofen (JP17/USP/INN), Propionic acid derivatives,M01AE03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5697,-4.3985,-2.6557,-1.3321,-0.7833,-0.7687,0.5922,0.6138,0.7998,1.2705,2.3801,D00132_M01AE03,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.488,1.714,1,0.0,9.065129999999999e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D00132
3858,D00132, Ketoprofen (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA10,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5542,-4.4408,-2.6542,-1.3345,-0.8858,-0.8237,0.626,0.6467,0.9167,1.2642,2.3857,D00132_M02AA10,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.488,1.714,1,0.0,9.065129999999999e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D00132
3859,D08102, Ketoprofen lysine, Propionic acid derivatives,M01AE03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5631,-4.4004,-2.6547,-1.3327,-0.9064,-0.8556,0.6346,0.6577,0.9448,1.2685,2.3796,D08102_M01AE03,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.522,1.681,1,1.0,9.13051e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D08102
3860,D08102, Ketoprofen lysine," Antiinflammatory preparations, non-steroids for topical use",M02AA10,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5765,-4.3807,-2.6491,-1.3311,-0.9538,-0.9405,0.6459999999999999,0.6759999999999999,1.0269,1.2711,2.3794,D08102_M02AA10,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.522,1.681,1,1.0,9.13051e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D08102
3861,D08103, Ketoprofen sodium, Propionic acid derivatives,M01AE03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5687,-4.3907,-2.6539,-1.3276,-0.8855,-0.8365,0.6234,0.6423,0.9208,1.2654,2.3731,D08103_M01AE03,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.522,1.682,1,1.0,9.123459999999999e-05,-,0.4259,-,0.4259,https://www.genome.jp/dbget-bin/www_bget?dr:D08103
3862,D08103, Ketoprofen sodium," Antiinflammatory preparations, non-steroids for topical use",M02AA10,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-LLVKDONJSA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1",-4.5596,-4.4438,-2.65,-1.3346,-0.9448,-0.9353,0.6446,0.674,1.0198,1.2712,2.3864,D08103_M02AA10,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.522,1.682,1,1.0,9.123459999999999e-05,-,0.4259,-,0.4259,https://www.genome.jp/dbget-bin/www_bget?dr:D08103
3863,D02350, Fenoprofen (USAN/INN), Propionic acid derivatives,M01AE04,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)Oc1cc(ccc1)[C@H](C(=O)O)C,242.27,3.667,69.3098,46.53,16,1,3,RDJGLLICXDHJDY-LLVKDONJSA-N,C15H14O3,OC(=O)C(c1cccc(c1)Oc1ccccc1)C,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1",-4.5474,-4.4373,-1.3345,-0.7912,-0.6864,-0.5351,0.4151,0.4831,0.6066,1.2647,2.3717,D02350_M01AE04,00040000002400000200020080020000000021000000000000000080000000001000400000000001000a0008000040000002020000200800000000020000000808000800010004410000002002800001009000400000000840080800000000000000000000000002000000004110000000020100080100200800004200000000,0400000c90b003,050004000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000000000000000164004483d21e,0,12,20,1,0,4,32,33,-4.393,2.229,1,,5.66601e-05,-,0.2423,-,0.2423,https://www.genome.jp/dbget-bin/www_bget?dr:D02350
3864,D00968, Fenoprofen calcium (JAN/USP), Propionic acid derivatives,M01AE04,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)Oc1cc(ccc1)[C@H](C(=O)O)C,242.27,3.667,69.3098,46.53,16,1,3,RDJGLLICXDHJDY-LLVKDONJSA-N,C15H14O3,OC(=O)C(c1cccc(c1)Oc1ccccc1)C,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1",-4.5486,-4.4357,-1.3353,-0.7941,-0.6882,-0.5406,0.4234,0.4261,0.6089,1.2728,2.3738,D00968_M01AE04,00040000002400000200020080020000000021000000000000000080000000001000400000000001000a0008000040000002020000200800000000020000000808000800010004410000002002800001009000400000000840080800000000000000000000000002000000004110000000020100080100200800004200000000,0400000c90b003,050004000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000000000000000164004483d21e,0,12,20,1,0,4,32,33,-4.393,2.229,1,,5.6721e-05,+,0.2029,-,0.2029,https://www.genome.jp/dbget-bin/www_bget?dr:D00968
3865,D01344, Fenbufen (JP17/USAN/INN), Propionic acid derivatives,M01AE05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)c1ccc(cc1)C(=O)CCC(=O)O,254.28099999999998,3.4011,73.4583,54.37,16,1,3,ZPAKPRAICRBAOD-UHFFFAOYSA-N,C16H14O3,O=C(c1ccc(cc1)c1ccccc1)CCC(=O)O,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",-4.5715,-4.4617,-2.8167,-2.678,-1.7677,-1.334,1.1012,1.2752,1.3125,2.1776,2.3838,D01344_M01AE05,00044000000000800200020002400000400000000000000000000080000000001400400000000011000a0208000100000100001000004004000000020000020008000800000000000000200000800004009800400000100840080800000900000000000000000000000000000000080000020140020100000008000100200500,1400000c00b003,020000000000010000008800000000000001000000000000000000000000000000000240402801,00000000000000200000000280002004880487561e,0,12,20,2,0,5,33,34,-4.397,1.4080000000000001,0,-2.0,0.000115805,-,0.5163,-,0.5163,https://www.genome.jp/dbget-bin/www_bget?dr:D01344
3866,D03080, Benoxaprofen (USAN/INN), Propionic acid derivatives,M01AE06,MUSCULO-SKELETAL SYSTEM,c1(ccc2c(c1)nc(o2)c1ccc(cc1)Cl)[C@H](C(=O)O)C,301.724,4.3363,80.8068,63.33,14,1,4,MITFXPHMIHQXPI-SECBINFHSA-N,C16H12ClNO3,OC(=O)C(c1ccc2c(c1)nc(o2)c1ccc(cc1)Cl)C,"InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m1/s1",-4.5489999999999995,-4.4367,-2.6156,-1.3461,-1.334,-1.2475,0.6555,0.8857,1.0057,1.2691,2.3724,D03080_M01AE06,20040206402814400204020104200000000000185401040400000080102000001000580400408023200b000a00002440000040408002200000280042004000080c000c0260000ec0008060010484014300b800402400000850080a10204108000002880000040000004000006002040000020150000108000008000002804000,0400000c00b003,05000000000000000000880000000000000000000004b000000000000000000000004600403804,0000000000000021010044c850259005200583da1f,0,16,18,1,0,3,33,35,-4.61,1.157,1,,9.44865e-06,+,57.5246,-,57.5246,https://www.genome.jp/dbget-bin/www_bget?dr:D03080
3867,D00452, Suprofen (JAN/USP/INN), Propionic acid derivatives,M01AE07,MUSCULO-SKELETAL SYSTEM,c1(C(=O)c2cccs2)ccc(cc1)[C@H](C(=O)O)C,260.308,3.1672,70.5453,82.61,14,1,4,MDKGKXOCJGEUJW-SECBINFHSA-N,C14H12O3S,OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m1/s1",-4.5561,-4.399,-3.7806,-1.3325,-0.8151,-0.7905,0.6965,0.7492,0.8102,1.2690000000000001,2.371,D00452_M01AE07,0004c1000020008002000200800100000400004000000000000000a4000000021400401000000001800a0a480008000004000000000010000a0000020008010908000800002004400000000010800001809800c00002000840084800000100000120000180000000000000004000000000020140000100000008000040000100,1400000c00b003,05000000000001000000880000000000000100000000c000000000000000000000000640402804,00000000080000000000858000000004800582d21e,0,11,18,2,0,4,30,31,-4.551,1.305,1,1.0,0.000114752,-,0.5713,-,0.5713,https://www.genome.jp/dbget-bin/www_bget?dr:D00452
3868,D05515, Pirprofen (USAN/INN), Propionic acid derivatives,M01AE08,MUSCULO-SKELETAL SYSTEM,c1(c(ccc(c1)[C@H](C(=O)O)C)N1CC=CC1)Cl,251.709,2.9693,71.9718,40.54,16,1,3,PIDSZXPFGCURGN-SECBINFHSA-N,C13H14ClNO2,CC(c1ccc(c(c1)Cl)N1CC=CC1)C(=O)O,"InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)/t9-/m1/s1",-4.5579,-4.4313,-4.1823,-4.1662,-1.4135,-1.4109,1.2690000000000001,1.5003,1.5022,1.5323,2.3829,D05515_M01AE08,00060200002000040200060000800000800000000000400000040080002000001000510000000021000b0008000010400100000000000008000100020000042808000800400004c08080010006800003089800600400200840080800000000000004000800000004000000084000000000060140000100000088000402c20000,0400000c00b023,150040000100000000008800000000000000000000040000000000000000000000000600432804,0000000000000020000474804c040007718728fb1f,0,6,24,2,0,3,31,32,-4.4319999999999995,3.035,1,1.0,2.57307e-05,+,11.1939,-,11.1939,https://www.genome.jp/dbget-bin/www_bget?dr:D05515
3869,D00330, Flurbiprofen (JP17/USP/INN), Propionic acid derivatives,M01AE09,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5514,-4.4164,-1.3341,-0.7929,-0.6873,-0.5376,0.4602,0.4725,0.6092,1.2713,2.3696,D00330_M01AE09,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.39,1,-1.0,0.000186199,-,0.4282,-,0.4282,https://www.genome.jp/dbget-bin/www_bget?dr:D00330
3870,D00330, Flurbiprofen (JP17/USP/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA19,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5502,-4.4339,-1.335,-0.7911,-0.6877,-0.5349,0.456,0.4742,0.6056,1.2681,2.3742,D00330_M02AA19,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.39,1,-1.0,0.000186199,-,0.4282,-,0.4282,https://www.genome.jp/dbget-bin/www_bget?dr:D00330
3871,D00330, Flurbiprofen (JP17/USP/INN), Other throat preparetions,R02AX01,RESPIRATORY SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5533,-4.4145,-1.3344,-0.7931,-0.6867,-0.5304,0.4482,0.5196,0.6101,1.2711,2.3704,D00330_R02AX01,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.39,1,-1.0,0.000186199,-,0.4282,-,0.4282,https://www.genome.jp/dbget-bin/www_bget?dr:D00330
3872,D00330, Flurbiprofen (JP17/USP/INN)," Antiinflammatory agents, non-steroids",S01BC04,SENSORY ORGANS,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5497,-4.4309,-1.3331,-0.7837,-0.6902,-0.5286,0.4721,0.4741,0.5938,1.2662,2.3794,D00330_S01BC04,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.39,1,-1.0,0.000186199,-,0.4282,-,0.4282,https://www.genome.jp/dbget-bin/www_bget?dr:D00330
3873,D01475, Flurbiprofen axetil (JAN), Propionic acid derivatives,M01AE09,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O[C@H](OC(=O)C)C)C)F,330.35,4.0485,88.214,52.6,23,0,4,ALIVXCSEERJYHU-OCCSQVGLSA-N,C19H19FO4,CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14+/m1/s1",-4.4364,-4.4191,-3.0035,-2.9923,-2.4166,-2.41,1.2667,1.5113,1.5379,1.5403,2.2389,D01475_M01AE09,00060000002000000280020000424000410000240000008000000080040400001000400000000011000a01082000010000000010008000440000000220020208080028000000044000100000008000010098005000000008602808000001200040200008000800001000000040000000000a0102000110000000000000200000,04000000303005,050000000000000000009000000000000000000000080000000000000000000000000200402805,00000000000200200000400100040024a09833d21e,1,12,30,2,0,7,43,44,-9.623,-0.23600000000000002,2,1.0,0.503404737,-,0.8059,-,0.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D01475
3874,D01475, Flurbiprofen axetil (JAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA19,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O[C@H](OC(=O)C)C)C)F,330.35,4.0485,88.214,52.6,23,0,4,ALIVXCSEERJYHU-OCCSQVGLSA-N,C19H19FO4,CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14+/m1/s1",-4.4264,-4.4044,-3.0063,-2.9933,-2.415,-2.4063,1.2753,1.5295,1.5364,1.5382,2.2534,D01475_M02AA19,00060000002000000280020000424000410000240000008000000080040400001000400000000011000a01082000010000000010008000440000000220020208080028000000044000100000008000010098005000000008602808000001200040200008000800001000000040000000000a0102000110000000000000200000,04000000303005,050000000000000000009000000000000000000000080000000000000000000000000200402805,00000000000200200000400100040024a09833d21e,1,12,30,2,0,7,43,44,-9.623,-0.23600000000000002,2,1.0,0.503404737,-,0.8059,-,0.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D01475
3875,D01475, Flurbiprofen axetil (JAN), Other throat preparetions,R02AX01,RESPIRATORY SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O[C@H](OC(=O)C)C)C)F,330.35,4.0485,88.214,52.6,23,0,4,ALIVXCSEERJYHU-OCCSQVGLSA-N,C19H19FO4,CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14+/m1/s1",-4.4246,-4.4124,-3.0146,-2.99,-2.4133,-2.4099,1.27,1.5245,1.5406,1.5442,2.2399,D01475_R02AX01,00060000002000000280020000424000410000240000008000000080040400001000400000000011000a01082000010000000010008000440000000220020208080028000000044000100000008000010098005000000008602808000001200040200008000800001000000040000000000a0102000110000000000000200000,04000000303005,050000000000000000009000000000000000000000080000000000000000000000000200402805,00000000000200200000400100040024a09833d21e,1,12,30,2,0,7,43,44,-9.623,-0.23600000000000002,2,1.0,0.503404737,-,0.8059,-,0.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D01475
3876,D01475, Flurbiprofen axetil (JAN)," Antiinflammatory agents, non-steroids",S01BC04,SENSORY ORGANS,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O[C@H](OC(=O)C)C)C)F,330.35,4.0485,88.214,52.6,23,0,4,ALIVXCSEERJYHU-OCCSQVGLSA-N,C19H19FO4,CC(=O)OC(OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C)C,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3/t12-,14+/m1/s1",-4.4382,-4.4064,-2.9973,-2.9933,-2.4141,-2.4064,1.2709,1.5369,1.5446,1.545,2.2575,D01475_S01BC04,00060000002000000280020000424000410000240000008000000080040400001000400000000011000a01082000010000000010008000440000000220020208080028000000044000100000008000010098005000000008602808000001200040200008000800001000000040000000000a0102000110000000000000200000,04000000303005,050000000000000000009000000000000000000000080000000000000000000000000200402805,00000000000200200000400100040024a09833d21e,1,12,30,2,0,7,43,44,-9.623,-0.23600000000000002,2,1.0,0.503404737,-,0.8059,-,0.8059,https://www.genome.jp/dbget-bin/www_bget?dr:D01475
3877,D02290, Flurbiprofen sodium (USP), Propionic acid derivatives,M01AE09,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5564,-4.4283,-1.3327,-0.7805,-0.691,-0.526,0.4623,0.4726,0.5874,1.2652,2.3854,D02290_M01AE09,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.387,1,,0.00018554700000000002,-,0.4043,-,0.4043,https://www.genome.jp/dbget-bin/www_bget?dr:D02290
3878,D02290, Flurbiprofen sodium (USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA19,MUSCULO-SKELETAL SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5613,-4.4099,-1.3338,-0.7909,-0.6877,-0.5356,0.4582,0.4683,0.6051,1.2717,2.3754,D02290_M02AA19,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.387,1,,0.00018554700000000002,-,0.4043,-,0.4043,https://www.genome.jp/dbget-bin/www_bget?dr:D02290
3879,D02290, Flurbiprofen sodium (USP), Other throat preparetions,R02AX01,RESPIRATORY SYSTEM,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5531,-4.4386,-1.3354,-0.7827,-0.6908,-0.5294,0.4696,0.4758,0.5932,1.265,2.3831,D02290_R02AX01,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.387,1,,0.00018554700000000002,-,0.4043,-,0.4043,https://www.genome.jp/dbget-bin/www_bget?dr:D02290
3880,D02290, Flurbiprofen sodium (USP)," Antiinflammatory agents, non-steroids",S01BC04,SENSORY ORGANS,c1c(cccc1)c1c(cc(cc1)[C@H](C(=O)O)C)F,244.261,3.6808,68.1878,37.3,14,1,2,SYTBZMRGLBWNTM-SNVBAGLBSA-N,C15H13FO2,OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",-4.5656,-4.4022,-1.3322,-0.7817,-0.6901,-0.5318,0.4289,0.47600000000000003,0.5905,1.2686,2.3846,D02290_S01BC04,00060000002000000280020000404000410000000000008000000080040000001000400000000011000a0008000000000000001000000004000000020002020808000800000004400010000000800001009800500000000840280800000100000000000000000000100000004000000000020102000110000000000000200000,0400000c00b003,050000000000000000008800000000000000000000080000000000000000000000000200402804,00000000000200200000400000040004208421d21e,1,12,19,1,0,3,31,32,-4.582,2.387,1,,0.00018554700000000002,-,0.4043,-,0.4043,https://www.genome.jp/dbget-bin/www_bget?dr:D02290
3881,D04530, Indoprofen (USAN/INN), Propionic acid derivatives,M01AE10,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)[C@H](C(=O)O)C)N1C(=O)c2c(C1)cccc2,281.306,3.1001,82.8893,57.61,18,1,4,RJMIEHBSYVWVIN-LLVKDONJSA-N,C17H15NO3,OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C,"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1",-4.5579,-4.4168,-3.6545,-2.6712,-2.0896,-1.3342,0.7206,1.2693,1.4738,1.6396,2.3804,D04530_M01AE10,000600002020048003000600008100008000008000000000000020c0000000001c00400000200121808e0208000012c0000000000000000800000002002004080800080040040440008030000288000100d000400400280840080800000000000010000280000000008000004000000000060150000100000008800002400000,0400000c00b003,050000000000000000008800200000000001000000000000000000000000000000004640403804,00000000000000200004148818211047d0c52bfb1f,0,12,24,2,0,3,36,38,-4.417,1.514,1,-1.0,8.86856e-05,-,0.6337,-,0.6337,https://www.genome.jp/dbget-bin/www_bget?dr:D04530
3882,D01325, Tiaprofenic acid (JAN/INN), Propionic acid derivatives,M01AE11,MUSCULO-SKELETAL SYSTEM,c1([C@H](C(=O)O)C)sc(cc1)C(=O)c1ccccc1,260.308,3.1672,70.5453,82.61,14,1,4,GUHPRPJDBZHYCJ-SECBINFHSA-N,C14H12O3S,OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)/t9-/m1/s1",-4.5516,-4.3884,-3.7865,-1.3294,-0.9356,-0.8558,0.7203,0.8327,0.8762,1.5034,2.3637,D01325_M01AE11,0004c100002000a0020002008001000004000040000a0000000000a4000000021400401000000001800a0a480208000004000000000010000a0001120008010908000800002004400000000010800001809800c00002000840084800000102000120000180100000000002004042000001120140000100000008800040000100,1400000c00b003,05000000000001000000880000000000000100000000c000000000000000000000000640402804,00000000080000000000858000000004800582d21e,0,11,18,2,0,4,30,31,-4.724,1.6780000000000002,1,1.0,0.000128285,-,0.7118,-,0.7118,https://www.genome.jp/dbget-bin/www_bget?dr:D01325
3883,D00463, Oxaprozin (JP17/USAN/INN), Propionic acid derivatives,M01AE12,MUSCULO-SKELETAL SYSTEM,c1(CCC(=O)O)nc(c(o1)c1ccccc1)c1ccccc1,293.317,4.0258,83.7268,63.33,17,1,4,OFPXSFXSNFPTHF-UHFFFAOYSA-N,C18H15NO3,OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",-4.6066,-4.3975,-2.5653,-1.8448,-1.7287,-1.3346,0.9134,1.0136,1.083,2.1118,2.3807,D00463_M01AE12,00000020a00804401000a302044000804010041808020004014208a0010004003002500480400021280a000800102004098000401802400400280007008002000c000d802000022008002000808400040298015081880000500802480041000044008c000004000008400010010000005002211000010880111000000a004000,0400000c00b003,02000000000000000000880000000000000000000000b000000000000000000000000600402800,0000000000000021010004ca8060b0050885a75e1f,0,17,21,1,0,5,37,39,-4.495,1.599,0,1.0,0.000483105,+,0.8856,-,0.8856,https://www.genome.jp/dbget-bin/www_bget?dr:D00463
3884,D07268, Ibuproxam (INN), Propionic acid derivatives,M01AE13,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)[C@H](C(=O)NO)C)CC(C)C,221.295,2.8849,64.1402,49.33,22,2,3,BYPIURIATSUHDW-SNVBAGLBSA-N,C13H19NO2,ONC(=O)C(c1ccc(cc1)CC(C)C)C,"InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)/t10-/m1/s1",-3.8080000000000003,-2.3391,-2.0739,-1.6238,-1.5113,-1.2027,1.0904,1.3597,1.4261,1.4442,1.4681,D07268_M01AE13,0004200000200000060006000000000400000000000000000000008000000000100040810000000000060018000100000100040000000000040000020000000010000000000000400000000000800001009800400000100840080800000900000000000000000000000000000000000000060100000100401000000000000000,0400000000b001,070000000000000000008000002000000000000000000000000000000000000000000200402804,0000800000000000d802002820201408041450ee1f,0,6,28,1,0,5,35,35,-9.665,0.467,1,1.0,0.059687674,-,0.7611,+,0.7611,https://www.genome.jp/dbget-bin/www_bget?dr:D07268
3885,D03715, Dexibuprofen (USAN/INN), Propionic acid derivatives,M01AE14,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-JTQLQIEISA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",-4.5446,-4.4357,-1.3363,-0.7939,-0.6875,-0.5326,0.4496,0.5166,0.6124,1.2707,2.3708,D03715_M01AE14,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.801,1,0.0,2.20491e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D03715
3886,D03718, Dexibuprofen lysine (USAN), Propionic acid derivatives,M01AE14,MUSCULO-SKELETAL SYSTEM,OC(=O)[C@H](c1ccc(cc1)CC(C)C)C,206.28099999999998,3.0732,62.1808,37.3,19,1,2,HEFNNWSXXWATRW-JTQLQIEISA-N,C13H18O2,CC(Cc1ccc(cc1)C(C(=O)O)C)C,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",-4.5662,-4.4387,-1.8736,-0.8002,-0.6831,-0.5397,0.3853,0.46,0.4658,1.2774,2.3981,D03718_M01AE14,00040000002000000200020000000000000000000000000000000080000000001000400000000001000a0008000100000100000000000000000000020000000808000800000004400000000000800001009800400000100840080800000900000000000000000000000000004000000000020100000100000000000000000000,0400000c00b003,070000000000000000008800000000000000000000000000000000000000000000000200402804,00000000000000000002000000000404001410d61e,0,6,26,1,0,4,33,33,-4.315,3.803,1,,2.20378e-05,+,0.7872,+,0.7872,https://www.genome.jp/dbget-bin/www_bget?dr:D03718
3887,D01513, Alminoprofen (JP17/INN), Propionic acid derivatives,M01AE16,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)[C@@H](C)C(=O)O)NCC(=C)C,219.28,2.9357,66.0465,49.33,19,2,3,FPHLBGOJWPEVME-SNVBAGLBSA-N,C13H17NO2,CC(=C)CNc1ccc(cc1)C(C(=O)O)C,"InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)/t10-/m1/s1",-4.9286,-4.5569999999999995,-4.401,-4.3516,-1.34,-1.3315,1.1567,1.2729,1.4128,1.4328,2.3657,D01513_M01AE16,00060000002000040200060000800000800000000000000000000080000000001000400000000021000a0018000010400000000000000008000100020000040808000800400006400080010000800001009000600400200840080800000000000004000000000000000000004000002000060140000110000008000002420000,0400000c00b023,150040800000000000008800000000000000000000000000000000000000000000000200402804,0000000002000200000802000c000404540450ff1f,0,6,25,2,0,5,33,33,-4.2780000000000005,2.802,1,1.0,2.473e-05,-,0.2157,-,0.2157,https://www.genome.jp/dbget-bin/www_bget?dr:D01513
3888,D07269, Dexketoprofen (INN), Propionic acid derivatives,M01AE17,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-NSHDSACASA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",-4.5693,-4.3909,-2.6522,-1.3298,-0.9666,-0.8978,0.66,0.7081,1.018,1.2703,2.381,D07269_M01AE17,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.4830000000000005,1.794,1,1.0,9.166139999999999e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D07269
3889,D07269, Dexketoprofen (INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA27,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(=O)c1cccc(c1)[C@@H](C(=O)O)C,254.28099999999998,3.1057,72.6683,54.37,16,1,3,DKYWVDODHFEZIM-NSHDSACASA-N,C16H14O3,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",-4.5708,-4.4006,-2.6532,-1.3298,-1.0347,-0.9597,0.6839,0.6865,1.085,1.2727,2.3774,D07269_M02AA27,000400000020008002000200800000000440804000000000000000a0000000001400400000000001000a02080000000000000000000000000000000200000008080008080000044000000000008000010092004000000008400a0800000000000000000100000000000000004100000000020100000100000008000000000000,1400000c00b003,050000000000010000008800000000000001000000000000000000000000000000000240402804,00000000000000000000000000000004800483d21e,0,12,20,2,0,4,33,34,-4.4830000000000005,1.794,1,1.0,9.166139999999999e-05,-,0.3966,-,0.3966,https://www.genome.jp/dbget-bin/www_bget?dr:D07269
3890,D09568, Naproxcinod (USAN/INN), Propionic acid derivatives,M01AE18,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)cc(cc2)[C@@H](C(=O)OCCCCO[N](=O)O)C)OC,348.37,3.8982,93.1425,94.42,28,1,3,WAMLSSRQGPNRQE-ZDUSSCGKSA-N,C18H22NO6,COc1ccc2c(c1)ccc(c2)C(C(=O)OCCCCO[N](=O)O)C,"InChI=1S/C18H22NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,22)/t13-/m0/s1",-6.1167,-5.0089999999999995,-4.3769,-3.8407,-2.9949,-1.6757,1.5119,1.5356,1.5649,1.6737,2.0881,D09568_M01AE18,00040000002000000200020000420004000000000000000000000080000400001000400110000001080a0008200001000100020000004034000000020000020818100804010004410000000002880181009080400200000840080800008000104000000008000002000000006010200000030100080100204800000040000000,0500000070f00d,070002000000000000009000000000000000000000000000000000000000000000004200c02a05,000080000080014070000036305b616e8b4e9fd71f,0,11,35,2,0,10,47,48,-8.718,-1.0859999999999999,1,1.0,0.709017873,+,0.6871,-,0.6871,https://www.genome.jp/dbget-bin/www_bget?dr:D09568
3891,D00151, Mefenamic acid (JP17/USP/INN), Fenamates,M01AG01,MUSCULO-SKELETAL SYSTEM,c1c(c(ccc1)C(=O)O)Nc1cccc(c1C)C,241.285,3.8182,72.877,49.33,17,2,2,HYYBABOKPJLUIN-UHFFFAOYSA-N,C15H15NO2,OC(=O)c1ccccc1Nc1cccc(c1C)C,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",-4.3955,-4.2704,-3.3785,-2.2678,-1.8349,-1.3349,1.158,1.1872,1.2206,2.1008,2.3345,D00151_M01AG01,00000000000000c00000260000804000801000000000000200000080000004000400400000000020200a020800000041000000000a800008000000020000040008000800400002000000200000800004009000400400200050084000002180004000000010000000004001000000000000020100000100000008000002000000,0400000c00b023,010040100000000000008800000000004003000000000000000000000000000000000240403800,00000000000010000000000001000004548471fa1f,0,12,21,1,0,3,33,34,-4.898,3.313,0,-2.0,0.00018492400000000002,-,0.2642,-,0.2642,https://www.genome.jp/dbget-bin/www_bget?dr:D00151
3892,D01183, Tolfenamic acid (JAN/INN), Fenamates,M01AG02,MUSCULO-SKELETAL SYSTEM,c1cccc(c1C(=O)O)Nc1ccc(c(c1)C)Cl,261.704,4.1632,72.921,49.33,14,2,2,QDNMBJXNLJFNHT-UHFFFAOYSA-N,C14H12ClNO2,OC(=O)c1ccccc1Nc1ccc(c(c1)C)Cl,"InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)",-4.3927,-4.2694,-3.3746,-2.2023,-1.8554,-1.3465,1.2025,1.2242,1.2312,2.0982,2.3332,D01183_M01AG02,00000202000000c00000260000804000801000000000080200020080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000000000004800006009800400400200050080000002180004000000010000000004001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-5.06,3.003,0,1.0,0.00033433,+,0.2434,-,0.2434,https://www.genome.jp/dbget-bin/www_bget?dr:D01183
3893,D01581, Flufenamic acid (JAN/USAN/INN), Fenamates,M01AG03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1C(=O)O)Nc1cccc(c1)C(F)(F)F,281.23,4.2202,67.947,49.33,12,2,2,LPEPZBJOKDYZAD-UHFFFAOYSA-N,C14H10F3NO2,OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",-4.3985,-4.2844,-4.1832,-4.1812,-4.1787,-3.3767,1.3439,1.4207,1.4451,1.7632,2.3822,D01581_M01AG03,00020000000010c00000260000804000801000900000000200000080000004000400400000000020200a020800000041100000000a800008000000020000040008000800400002000000000100800004049000400400200050080000002180004000000010040000004001000000000000020100000110000008000002000000,0400000c00b023,000140100000000000008800000000004003000000000000000000000000000000000240603800,000000000002100000000000018600047484617a1f,3,12,18,1,0,4,30,31,-5.1370000000000005,2.595,0,0.0,0.000306738,-,0.5234,-,0.5234,https://www.genome.jp/dbget-bin/www_bget?dr:D01581
3894,D01823, Ufenamate (JAN/INN), Fenamates,M01AG03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1C(=O)OCCCC)Nc1cc(ccc1)C(F)(F)F,337.336,5.4789,86.6882,38.33,21,1,2,JDLSRXWHEBFHNC-UHFFFAOYSA-N,C18H18F3NO2,CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3",-4.2727,-4.1831,-4.1806,-4.1791,-3.3598,-2.8884,1.0758,1.2862,1.389,1.4672,1.53,D01823_M01AG03,00020002000010c00204260000824000801000900000080200200080000404401401400000000021200a020820000041110000000a804008000000020000060008100802400002000000010100800004049000400400200050080000002180004000000010040000004001001000000000030100000110000008000002000000,0400000030b025,030140100000000000009000000000004003000000000000000000000000000000000240603000,00000000000200000000000001962e24788065ff1f,3,12,30,1,0,8,42,43,-9.156,-0.51,0,3.0,0.8537969590000001,-,0.6693,-,0.6693,https://www.genome.jp/dbget-bin/www_bget?dr:D01823
3895,D03254, Flufenamate aluminum (JAN), Fenamates,M01AG03,MUSCULO-SKELETAL SYSTEM,c1c(c(ccc1)C(=O)O)Nc1cccc(c1)C(F)(F)F,281.23,4.2202,67.947,49.33,12,2,2,LPEPZBJOKDYZAD-UHFFFAOYSA-N,C14H10F3NO2,OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",-4.4052,-4.2477,-4.1839,-4.1808,-4.1777,-3.3801,1.3397,1.4123,1.4186,1.7851,2.3824,D03254_M01AG03,00020000000010c00000260000804000801000900000000200000080000004000400400000000020200a020800000041100000000a800008000000020000040008000800400002000000000100800004049000400400200050080000002180004000000010040000004001000000000000020100000110000008000002000000,0400000c00b023,000140100000000000008800000000004003000000000000000000000000000000000240603800,000000000002100000000000018600047484617a1f,3,12,18,1,0,4,30,31,-5.138,2.595,0,,0.000306905,-,0.5138,-,0.5138,https://www.genome.jp/dbget-bin/www_bget?dr:D03254
3896,D02341, Meclofenamic acid (USAN/INN), Fenamates,M01AG04,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.399,-4.2465,-3.3537,-2.1777,-1.8582,-1.3336,1.1771,1.2036,1.2066,2.0834,2.3369999999999997,D02341_M01AG04,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.94,2.541,0,,0.0006570460000000001,+,0.2932,-,0.2932,https://www.genome.jp/dbget-bin/www_bget?dr:D02341
3897,D02341, Meclofenamic acid (USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA18,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.3875,-4.284,-3.3569999999999998,-2.227,-1.8495,-1.3369,1.1732,1.1858,1.1988,2.0978,2.3361,D02341_M02AA18,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.94,2.541,0,,0.0006570460000000001,+,0.2932,-,0.2932,https://www.genome.jp/dbget-bin/www_bget?dr:D02341
3898,D00169, Meclofenamate sodium (USP), Fenamates,M01AG04,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.3875,-4.284,-3.3569999999999998,-2.227,-1.8495,-1.3369,1.1732,1.1858,1.1988,2.0978,2.3361,D00169_M01AG04,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.94,2.542,0,,0.0006571869999999999,-,0.2903,-,0.2903,https://www.genome.jp/dbget-bin/www_bget?dr:D00169
3899,D00169, Meclofenamate sodium (USP)," Antiinflammatory preparations, non-steroids for topical use",M02AA18,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.3848,-4.2895,-3.3557,-2.137,-1.8556,-1.3361,1.1103,1.1668,1.209,2.0656,2.3311,D00169_M02AA18,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.94,2.542,0,,0.0006571869999999999,-,0.2903,-,0.2903,https://www.genome.jp/dbget-bin/www_bget?dr:D00169
3900,D08162, Meclofenamate sodium, Fenamates,M01AG04,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.368,-4.3388,-3.3819,-1.9807,-1.7857,-1.345,0.9328,1.0834,1.1825,1.9498,2.3433,D08162_M01AG04,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.939,2.539,0,0.0,0.00065746,-,0.2903,-,0.2903,https://www.genome.jp/dbget-bin/www_bget?dr:D08162
3901,D08162, Meclofenamate sodium," Antiinflammatory preparations, non-steroids for topical use",M02AA18,MUSCULO-SKELETAL SYSTEM,c1(Nc2c(cccc2)C(=O)O)c(c(ccc1Cl)C)Cl,296.149,4.8166,77.931,49.33,13,2,2,SBDNJUWAMKYJOX-UHFFFAOYSA-N,C14H11Cl2NO2,OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",-4.397,-4.2855,-3.3719,-1.9261,-1.8744,-1.8445,1.0294,1.1972,1.3935,2.0695,2.3921,D08162_M02AA18,00000200000000c00000260008804000801000000000040200060080002004000400400000000020200b020800000041000000000a800008000000020000040008000800400002000004000004800006009800400400210051080000002180004000000810000000204001000000000000020100000100000008000002800000,0400000c00b023,010040100000000000008800000000004003000000040000000000000000000000000240403800,00000000000010000000400041040004748461fa1f,0,12,18,1,0,3,30,31,-4.939,2.539,0,0.0,0.00065746,-,0.2903,-,0.2903,https://www.genome.jp/dbget-bin/www_bget?dr:D08162
3902,D00568, Rofecoxib (JAN/USAN/INN), Coxibs,M01AH02,MUSCULO-SKELETAL SYSTEM,O1CC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)C,314.356,3.6385,83.691,68.82,18,0,4,RZJQGNCSTQAWON-UHFFFAOYSA-N,C17H14O4S,O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C,"InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3",-7.7686,-7.7647,-4.7437,-3.2207,-1.8209,-1.0481,1.0286,1.048,1.4706,1.5471,1.8795,D00568_M01AH02,30048100002000040200020000024000200400400020400000000080001400001900400800008001000a0418200001800020000018800144000000021004020c08000800020024c00000010000800005009000600021004840080800000080014004000080000080000000004000100000029100000102000012800040000000,04000000303105,10000000000000000000a000000000000001000000000000800000000000000000000640407801,00000000000046bf040985902490004c82492bd31e,0,12,22,4,0,3,36,38,-9.785,-1.59,0,0.0,0.35918247700000006,+,0.9516,-,0.9516,https://www.genome.jp/dbget-bin/www_bget?dr:D00568
3903,D02709, Valdecoxib (USAN/INN), Coxibs,M01AH03,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)c1c(c2ccccc2)noc1C)S(=O)(=O)N,314.35900000000004,4.7455,83.3354,94.57,18,1,5,LNPDTQAFDNKSHK-UHFFFAOYSA-N,C16H14N2O3S,Cc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1,"InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)",-12.1295,-9.3997,-9.3556,-5.7981,-5.7906,-1.6085,1.4883,2.4004,3.6576,3.6769,3.9066,D02709_M01AH03,20000140000000000000022204400008690040082000000000000080010000008800480c080280100000000800208080002010000000000400140002000202008e004480200020a041102000008000008080406080200000402a000000010202040000200010000088001000090002001902b12200011a050110800010200000,0000000000b001,01000000000000000000000000000000000000000000b000000024000000000000000640403800,00000080010044bf55018da02182900982a1ebc81f,0,17,19,2,0,3,36,38,-10.049,-1.089,0,,0.6020378470000001,+,0.7418,-,0.7418,https://www.genome.jp/dbget-bin/www_bget?dr:D02709
3904,D03716, Parecoxib (USAN/INN), Coxibs,M01AH04,MUSCULO-SKELETAL SYSTEM,c1(c(noc1C)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=O)CC,370.42199999999997,5.0036,98.0507,97.65,23,1,6,TZRHLKRLEZJVIJ-UHFFFAOYSA-N,C19H18N2O4S,CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1,"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)",-9.949,-9.4043,-9.3212,-6.0864,-5.0105,-4.7378,2.4184,2.8279,2.9194,3.0088,3.8688,D03716_M01AH04,600201400000000000000622044400086d0040082000000004000080010000029800481c080280100006001800208080006410000000400400140002002202028e004480200020a041102000008000008090406080200000402a40000001020204100020001000008800100009000a001906b12300011a050110800010200000,0400000000b001,03000000000000000000800000000000000000000000b000000020000000000000000640403800,00000080010044bf550185a9a1e292098aa9fbee1f,0,17,26,3,0,6,44,46,-10.009,-1.555,0,,0.481449842,+,0.9972,-,0.9972,https://www.genome.jp/dbget-bin/www_bget?dr:D03716
3905,D03717, Parecoxib sodium (USAN), Coxibs,M01AH04,MUSCULO-SKELETAL SYSTEM,c1(c(noc1C)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=O)CC,370.42199999999997,5.0036,98.0507,97.65,22,1,6,TZRHLKRLEZJVIJ-UHFFFAOYSA-N,C19H18N2O4S,CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1,"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)",-9.9286,-9.372,-9.341000000000001,-6.0795,-4.9966,-4.7365,2.4194,2.8267,2.9133,2.9852,3.8593,D03717_M01AH04,600201400000000000000622044400086d0040082000000004000080010000029800481c080280100006001800208080006410000000400400140002002202028e004480200020a041102000008000008090406080200000402a40000001020204100020001000008800100009000a001906b12300011a050110800010200000,0400000000b001,03000000000000000000800000000000000000000000b000000020000000000000000640403800,00000080010044bf550185a9a1e292098aa9fbee1f,0,17,26,3,0,6,44,46,-10.055,-8.038,0,,0.23171459100000003,+,0.9988,-,0.9988,https://www.genome.jp/dbget-bin/www_bget?dr:D03717
3906,D03710, Etoricoxib (USAN/INN), Coxibs,M01AH05,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)S(=O)(=O)C)c1c(ncc(c1)Cl)c1ccc(nc1)C,358.842,5.2567,95.97399999999999,68.3,19,0,4,MNJVRJDLRVPLFE-UHFFFAOYSA-N,C18H15ClN2O2S,Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",-7.7798,-7.7575,-2.0169,-1.2808,-1.2288,-1.1037,0.7605,0.893,0.8982,1.0283,1.3521,D03710_M01AH05,20000301200800000004020004c0400060000000400204080002088003080400090040080000803100810008000000c00620401008002004043000020000020404000c82000022a000002100084800061088006084a0000050080010000100000400480001000001080000042010040010029110004102000112810002a00200,00000000003101,010000000000000000000000000000000000000000049000800000000000000000000640402801,00000000000044be0581c11062848009a2a139c81f,0,18,21,2,0,3,39,41,-9.83,-1.4140000000000001,0,,0.798674166,-,1.6463,-,1.6463,https://www.genome.jp/dbget-bin/www_bget?dr:D03710
3907,D03714, Lumiracoxib (USAN/INN), Coxibs,M01AH06,MUSCULO-SKELETAL SYSTEM,c1(cc(c(cc1)Nc1c(cccc1Cl)F)CC(=O)O)C,293.721,4.2312,77.4645,49.33,15,2,2,KHPKQFYUPIUARC-UHFFFAOYSA-N,C15H13ClFNO2,OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",-4.5638,-4.3883,-3.3952,-1.7661,-1.3339,-1.2756,0.98,1.2670000000000001,1.2843,1.6034,2.3686,D03714_M01AH06,00060220002000000290260008800000855000000800000200060080002000001000400000000021000b0048000400400000000002000008000000020084040808000c00400006400490000004800003009800400400210841080800002000004000000810000020100000004100000000020102040310000408000002800000,0400000c00b023,0300401000000000000088000000000000000000000c0000000000000000000000000200402800,000000000002000000004002c00c00047c8461fe1f,1,12,21,1,0,4,33,34,-4.409,2.089,0,,0.000680861,-,0.6579,-,0.6579,https://www.genome.jp/dbget-bin/www_bget?dr:D03714
3908,D00425, Nabumetone (JP17/USP/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX01,MUSCULO-SKELETAL SYSTEM,c12c(cc(cc2)OC)ccc(c1)CCC(=O)C,228.28599999999997,3.37,70.027,26.3,18,0,2,BLXXJMDCKKHMKV-UHFFFAOYSA-N,C15H16O2,COc1ccc2c(c1)ccc(c2)CCC(=O)C,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",-2.9815,-1.0272,-0.4263,-0.3146,-0.311,-0.2988,0.2615,0.2763,0.2804,0.3187,0.3355,D00425_M01AX01,00040000000000000200020000020000000000000000000000000080000800001000400000000000080200080001000001000200080000000000000200000000080000000100000100002000028000040090004000001008400808000008000000000000000000020000000000100000000201000a0100200800000100000000,14000000503001,030002000000010000000000000000000000000000000000000000000000000000004200402801,00000000000000000000001010012d60084095d61e,0,11,22,1,0,4,33,34,-8.596,-0.37200000000000005,0,0.0,0.268683732,+,0.4156,-,0.4156,https://www.genome.jp/dbget-bin/www_bget?dr:D00425
3909,D08275, Niflumic acid (INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX02,MUSCULO-SKELETAL SYSTEM,c1c(cc(cc1)Nc1c(cccn1)C(=O)O)C(F)(F)F,282.218,3.6152,65.742,62.22,12,2,3,JZFPYUNJRRFVQU-UHFFFAOYSA-N,C13H9F3N2O2,OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",-4.3866,-4.2989999999999995,-4.1817,-4.1783,-4.1781,-3.3817,1.4661,1.482,1.7748,2.2559,2.3835,D08275_M01AX02,00020000000010c00008260008804000801001908000000a00000080000004000c00600000088020408a040c000000c11000a0100a80200804400012000004000c000c00400002000000000100880004049800400400200050080000002180004000000010040000004001000010040010020100004110000008800002000000,0400000c00b023,000100000000000000008800000000014003000000009000000000000000000000000640603800,0000000020021000011000000386000574a5617a1f,3,12,17,1,0,4,29,30,-5.3,2.641,0,2.0,0.000169668,-,0.5432,-,0.5432,https://www.genome.jp/dbget-bin/www_bget?dr:D08275
3910,D08275, Niflumic acid (INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA17,MUSCULO-SKELETAL SYSTEM,c1c(cc(cc1)Nc1c(cccn1)C(=O)O)C(F)(F)F,282.218,3.6152,65.742,62.22,12,2,3,JZFPYUNJRRFVQU-UHFFFAOYSA-N,C13H9F3N2O2,OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",-4.3964,-4.2733,-4.1804,-4.1801,-4.1783,-3.3819999999999997,1.4949,1.4961,1.8054,2.2333,2.3801,D08275_M02AA17,00020000000010c00008260008804000801001908000000a00000080000004000c00600000088020408a040c000000c11000a0100a80200804400012000004000c000c00400002000000000100880004049800400400200050080000002180004000000010040000004001000010040010020100004110000008800002000000,0400000c00b023,000100000000000000008800000000014003000000009000000000000000000000000640603800,0000000020021000011000000386000574a5617a1f,3,12,17,1,0,4,29,30,-5.3,2.641,0,2.0,0.000169668,-,0.5432,-,0.5432,https://www.genome.jp/dbget-bin/www_bget?dr:D08275
3911,D02966, Apazone (USAN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX04,MUSCULO-SKELETAL SYSTEM,c12[nH]c(n3n(c1cc(cc2)C)C(=O)[C@H](C3=O)CCC)N(C)C,301.36400000000003,2.6989,87.1537,63.03,24,1,5,DMORUDMUHQGWPE-LLVKDONJSA-N,C16H21N4O2,CCCC1C(=O)n2n(C1=O)c1cc(C)ccc1[nH]c2N(C)C,"InChI=1S/C16H21N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11,17H,5-6H2,1-4H3/t11-/m1/s1",-7.565,-6.2983,-5.7546,-5.2285,-4.9266,-4.5887,2.2149,2.5416,2.9566,2.9804,3.0567,D02966_M01AX04,08a3150000001a0013008c0000000009000000100000020000000000003021001800100201c0004010060530000100800102000070201006000000001000000008000000800200200020600002b0000c0012016018003000a8050280000100020a200020050001000000000000004000000c000440001000003400010c000100,0400000000a001,070000000000000000008000000000000000000000000000000000000000000000004400402807,000000010000080000d234fb9363becb91717dee1d,0,0,50,2,0,3,50,52,-12.69,-5.447,1,1.0,0.001273917,+,0.9895,-,0.9895,https://www.genome.jp/dbget-bin/www_bget?dr:D02966
3912,D04334, Glucosamine (USAN/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX05,MUSCULO-SKELETAL SYSTEM,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O)[NH3+])O)O)CO,180.179,-3.9718,38.5393,117.79,19,5,5,MSWZFWKMSRAUBD-QZABAPFNSA-O,C6H14NO5+,OCC1OC(O)C(C(C1O)O)[NH3+],"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4-,5-,6-/m1/s1",-5.3903,-5.3643,-5.3612,-4.1332,-3.8701,-3.1910000000000003,1.9047,2.334,2.3702,2.6452,2.9339999999999997,D04334_M01AX05,000000000000a00000000400000200002000002000020000000000000004001010000008000000070000001020000000010000000020c0110000000000000000089029000010000000008003000000000080014000000000a0000001000000000000000000280000000000004000388000050180000000000000000100000000,0100003c30e001,0038c000040100410000000000000000000000000000000000000000000000000000043fc02204,000000000000310180000247031000441c4de27d1d,0,0,26,0,0,1,26,26,-14.267000000000001,-4.534,5,,2.5567900000000002e-08,-,0.4128,-,0.4128,https://www.genome.jp/dbget-bin/www_bget?dr:D04334
3913,D08022, Glucosamine hydrochloride," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX05,MUSCULO-SKELETAL SYSTEM,C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)[NH3+],180.179,-4.1292,39.7683,125.63,19,5,5,FZHXIRIBWMQPQF-SLPGGIOYSA-O,C6H14NO5+,OCC(C(C(C(C=O)[NH3+])O)O)O,"InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/p+1/t3-,4+,5+,6+/m0/s1",-5.4018,-5.3528,-5.3439,-4.5901,-3.0186,-2.5599,2.3894,2.4362,2.6418,2.7487,3.1621,D08022_M01AX05,000000000000000000000400000000000000000000000000000000000000000010000000000000070002001000000000010000000020c001000000000000000008000800000000000000800128800014003001400000000080000000000000000000000000000000000000000000380000040000000000000000000100000500,0d00003c00e000,0038c0000481000000000000000000000000000000000000000000000000000000000000c02a04,000000000000310080000247811000000c0cc27f09,0,0,24,1,0,5,26,25,-13.724,-5.106,4,1.0,,+,0.5839,-,0.5839,https://www.genome.jp/dbget-bin/www_bget?dr:D08022
3914,D08023, Glucosamine sulfate," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX05,MUSCULO-SKELETAL SYSTEM,[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O)[NH3+])O)O)CO,180.179,-3.9718,38.5393,117.79,19,5,5,MSWZFWKMSRAUBD-QZABAPFNSA-O,C6H14NO5+,OCC1OC(O)C(C(C1O)O)[NH3+],"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4-,5-,6-/m1/s1",-5.3904,-5.3643,-5.3616,-4.1329,-3.8701,-3.1911,1.9045,2.3341,2.3702,2.6452,2.9337,D08023_M01AX05,000000000000a00000000400000200002000002000020000000000000004001010000008000000070000001020000000010000000020c0110000000000000000089029000010000000008003000000000080014000000000a0000001000000000000000000280000000000004000388000050180000000000000000100000000,0100003c30e001,0038c000040100410000000000000000000000000000000000000000000000000000043fc02204,000000000000310180000247031000441c4de27d1d,0,0,26,0,0,1,26,26,-14.662,-3.925,5,1.0,9.415389999999999e-08,-,0.4128,-,0.4128,https://www.genome.jp/dbget-bin/www_bget?dr:D08023
3915,D05638, Proquazone (USAN/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX13,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)c(nc(=O)n2C(C)C)c1ccccc1)C,278.348,3.9528,87.281,34.89,20,0,3,JTIGKVIOEQASGT-UHFFFAOYSA-N,C18H18N2O,Cc1ccc2c(c1)n(C(C)C)c(=O)nc2c1ccccc1,"InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3",-5.8605,-5.5991,-4.124,-2.0397,-1.392,-0.8909999999999999,0.5785,1.4379,1.4657,1.7041,1.8976,D05638_M01AX13,a80000000008084000004600054000005000000040000000000000c002000000180170004120803138000218000000c00000000000006004002080022000020004000c00c00032000000d00000900002008801600c000005e00800000001000400000800000a00000060000001000c0000060500000100000008000002a00000,00000000003001,010000000000000000000000000000000040000000009900000000000000000000004640402000,0000000010000020019610001223914300f139aa1f,0,17,23,1,0,2,39,41,-9.355,-0.855,0,1.0,0.5373842120000001,+,0.515,-,0.515,https://www.genome.jp/dbget-bin/www_bget?dr:D05638
3916,D01049, Nimesulide (JAN/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX17,MUSCULO-SKELETAL SYSTEM,c1(cc(ccc1NS(=O)(=O)C)[N](=O)O)Oc1ccccc1,309.318,4.327,78.4692,113.44,19,2,4,SCBSZAMRBSFFKN-UHFFFAOYSA-N,C13H13N2O5S,O[N](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C,"InChI=1S/C13H13N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3,(H,16,17)",-8.6652,-8.5616,-8.5427,-5.3003,-4.4883,-4.2958,2.2286,2.3525,2.4087,2.7534,2.7998,D01049_M01AX17,600001040004000000000600200200022c802000000000100000004080000000003080000000002000080008000042410044020000200000000000080000080038400200410118a101000008020401000080000004200004600800000040001420000200000000020000000000100080000230000a0000201810008002000000,0100000090f001,000004000000000000000000000000000000000000000000000024000000000000000240c02a00,000080800100c55a740180702182516ad6ecebf81f,0,12,20,3,0,5,34,35,-9.827,-1.8840000000000001,0,,0.34757366799999995,+,0.5914,-,0.5914,https://www.genome.jp/dbget-bin/www_bget?dr:D01049
3917,D01049, Nimesulide (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA26,MUSCULO-SKELETAL SYSTEM,c1(cc(ccc1NS(=O)(=O)C)[N](=O)O)Oc1ccccc1,309.318,4.327,78.4692,113.44,19,2,4,SCBSZAMRBSFFKN-UHFFFAOYSA-N,C13H13N2O5S,O[N](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C,"InChI=1S/C13H13N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3,(H,16,17)",-8.7217,-8.6928,-8.4974,-5.2929,-4.4243,-4.2919,2.2262,2.3432,2.4226,2.7638,2.8034,D01049_M02AA26,600001040004000000000600200200022c802000000000100000004080000000003080000000002000080008000042410044020000200000000000080000080038400200410118a101000008020401000080000004200004600800000040001420000200000000020000000000100080000230000a0000201810008002000000,0100000090f001,000004000000000000000000000000000000000000000000000024000000000000000240c02a00,000080800100c55a740180702182516ad6ecebf81f,0,12,20,3,0,5,34,35,-9.827,-1.8840000000000001,0,,0.34757366799999995,+,0.5914,-,0.5914,https://www.genome.jp/dbget-bin/www_bget?dr:D01049
3918,D01305, Feprazone (JAN/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX18,MUSCULO-SKELETAL SYSTEM,C1(CC=C(C)C)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,320.385,4.0839,102.094,40.62,24,0,4,RBBWCVQDXDFISW-UHFFFAOYSA-N,C20H20N2O2,CC(=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C,"InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3",-3.795,-3.7897,-1.3116,-1.3084,-1.0343,-1.0321,0.6673,0.6675,0.6778,0.8513,0.9949,D01305_M01AX18,080300000000000413000e8000800005800000900000400400000000000000001000200000e800600006001c000010e0010020023400000c00000000004004004000000040000220000030000084020c009008700c003800e8091000004100100004000021020000002000000000002000060000000058000000000006400000,04000000003001,170000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000a20008e04e90520984bd06139ee1f,0,12,31,3,0,4,44,46,-9.32,-0.271,0,0.0,0.327312231,+,0.8739,-,0.8739,https://www.genome.jp/dbget-bin/www_bget?dr:D01305
3919,D01305, Feprazone (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA16,MUSCULO-SKELETAL SYSTEM,C1(CC=C(C)C)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,320.385,4.0839,102.094,40.62,24,0,4,RBBWCVQDXDFISW-UHFFFAOYSA-N,C20H20N2O2,CC(=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C,"InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3",-3.8121,-3.8041,-1.3072,-1.3071,-1.0367,-1.0301,0.6646,0.6649,0.6809,0.8519,0.9927,D01305_M02AA16,080300000000000413000e8000800005800000900000400400000000000000001000200000e800600006001c000010e0010020023400000c00000000004004004000000040000220000030000084020c009008700c003800e8091000004100100004000021020000002000000000002000060000000058000000000006400000,04000000003001,170000000000000000008000000000000000000000000000000000000000000000000600402803,0000000000000a20008e04e90520984bd06139ee1f,0,12,31,3,0,4,44,46,-9.32,-0.271,0,0.0,0.327312231,+,0.8739,-,0.8739,https://www.genome.jp/dbget-bin/www_bget?dr:D01305
3920,D07270, Diacerein (INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX21,MUSCULO-SKELETAL SYSTEM,c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1)C(=O)O)OC(=O)C)OC(=O)C,368.29400000000004,2.0108,89.7063,124.04,19,1,8,TYNLGDBUJLVSMA-UHFFFAOYSA-N,C19H12O8,CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O,"InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",-4.4201,-4.4176,-4.4142,-4.225,-2.6675,-2.6659,1.1179,1.2013,1.2519,1.3343,2.3073,D07270_M01AX21,00040010000000c202000200800300020100004000080000000000e0000000001400420228400010600a020800000000000212400000180000800002000002000c200828054001018000202002828000208a004000000028400a080000010000010200014004801200c002800110000000020540080100200808004a00000004,1400000c50b007,010000000000010000009800000000004001000000000000000000000000000000004240402801,0000000000000000000000011001016480cc93d21e,0,12,24,5,0,5,39,41,-5.129,0.953,0,0.0,0.000379909,+,2.2757,-,2.2757,https://www.genome.jp/dbget-bin/www_bget?dr:D07270
3921,D05078, Morniflumate (USAN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX22,MUSCULO-SKELETAL SYSTEM,c1(cccc(c1)C(F)(F)F)Nc1ncccc1C(=O)OCC[NH+]1CCOCC1,396.384,3.5581,100.84200000000001,64.89,26,2,4,LDXSPUSKBDTEKA-UHFFFAOYSA-O,C19H21F3N3O3+,O=C(c1cccnc1Nc1cccc(c1)C(F)(F)F)OCC[NH+]1CCOCC1,"InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)/p+1",-6.0269,-4.5529,-4.5411,-4.5329,-4.2299,-4.1913,1.5657,1.9541,2.0472,2.1354,2.3019,D05078_M01AX22,00020000000010c0000c260008824004811001908000080a00200080000404400c01600000088032408a040c000000c11000a0100a80210804400012000006100c010c02481022000000010102880004049800400410200050080000002180104000000010040000004001009010040010060180004310000008800002000000,0500000030f025,008140020400000000009000000000014003000000009000000000000000000000000640e03a00,0000000020020101011432448bd6a0a77da36f7f1f,3,12,38,1,0,8,49,51,-10.72,-4.575,0,1.0,0.079797857,-,1.1354,-,1.1354,https://www.genome.jp/dbget-bin/www_bget?dr:D05078
3922,D06072, Tenidap (USAN/INN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX23,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)N(C(=O)/C/2=C(/c1cccs1)\O)C(=O)N)Cl,320.751,4.0184,84.7952,111.87,14,2,6,LXIKEPCNDFVJKC-QXMHVHEDSA-N,C14H9ClN2O3S,Clc1ccc2c(c1)C(=C(c1cccs1)O)C(=O)N2C(=O)N,"InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-",-5.8354,-4.6103,-4.2182,-4.1987,-4.1263,-2.528,1.6784,1.7662,1.8022,2.41,2.4619,D06072_M01AX23,0046c3220020004c0307060000c04004841701c01020482004020086002010021900498100201220800721580024124051008020008005880801802a08cc042008000800422102c0010411001490028388980060248328884008480100018001052c0200800080840640000440400020001e0100000110000090000402c20100,0400000d00b041,00000000000000008000800000000000c04104000004c000000000000000000000004640407800,0000000018000200001cdd8955279043e4e5ea7a1f,0,11,18,3,0,2,30,32,-8.942,-1.368,0,0.0,0.446555287,+,1.2623,-,1.2623,https://www.genome.jp/dbget-bin/www_bget?dr:D06072
3923,D06073, Tenidap sodium (USAN)," Other antiinflammatory and antirheumatic agents, non-steroids",M01AX23,MUSCULO-SKELETAL SYSTEM,c1c(cc2c(c1)N(C(=O)/C/2=C(\c1cccs1)/O)C(=O)N)Cl,320.751,4.0184,84.7952,111.87,13,2,6,LXIKEPCNDFVJKC-QXMHVHEDSA-N,C14H9ClN2O3S,Clc1ccc2c(c1)C(=C(c1cccs1)O)C(=O)N2C(=O)N,"InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-",-5.8231,-4.6139,-4.2198,-4.1926,-4.1039,-2.5140000000000002,1.3359,1.7819,1.8098,2.3897,2.4659,D06073_M01AX23,0046c3220020004c0307060000c04004841701c01020482004020086002010021900498100201220800721580024124051008020008005880801802a08cc042008000800422102c0010411001490028388980060248328884008480100018001052c0200800080840640000440400020001e0100000110000090000402c20100,0400000d00b041,00000000000000008000800000000000c04104000004c000000000000000000000004640407800,0000000018000200001cdd8955279043e4e5ea7a1f,0,11,18,3,0,2,30,32,-4.106,2.508,0,1.0,0.571020007,+,1.2439,-,1.2439,https://www.genome.jp/dbget-bin/www_bget?dr:D06073
3924,D07271, Oxycinchophen (INN), Quinolines,M01CA03,MUSCULO-SKELETAL SYSTEM,c1ccc2c(c1)nc(c(c2C(=O)O)O)c1ccccc1,265.263,3.3056,76.1613,70.42,14,2,4,XAPRFLSJBSXESP-UHFFFAOYSA-N,C16H11NO3,OC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1,"InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",-4.3834,-4.2748,-2.1519999999999997,-2.0646,-2.0452,-1.73,1.1646,1.1949,1.3013,1.9509999999999998,2.3354,D07271_M01CA03,20000000000a04c00004020004400110410000004000001000000080002400000440408000008030288a020800000040000042400000200400300002000002000c200c0a40000200008040000688008000800040040000004008001000014000040828000000000204c002002000040000020110004100600818000002200000,0400000c02b003,00000000000000000000880000000000c001000000019000000000000000000000004640403800,0000000000001020010000411201014504c5a35a1f,0,17,15,1,0,2,31,33,-5.433,2.3680000000000003,0,-1.0,0.000148489,-,0.4198,-,0.4198,https://www.genome.jp/dbget-bin/www_bget?dr:D07271
3925,D00496, Penicillamine (JAN/USP/INN), Penicillamine and similar agents,M01CC01,MUSCULO-SKELETAL SYSTEM,[C@@H](C(C)(C)S)(C(=O)O)[NH3+],150.219,-0.6101,39.8529,103.74,14,3,3,VVNCNSJFMMFHPL-VKHMYHEASA-O,C5H12NO2S+,[NH3+]C(C(S)(C)C)C(=O)O,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/p+1/t3-/m0/s1",-5.3773,-5.3652,-5.3512,-4.6077,-4.5447,-4.4138,1.778,2.1813,2.3402,2.367,2.6071,D00496_M01CC01,00000103000000000000040000000000000000000000000000000000000000001000000000040003000a0010000000000100400000004000000000000000000008000800000000000000040000800004003000400000000000000000000000000000000000000000000000000000000000041000000000000000000000000000,0500000c00e002,0100c0000c00000000008800000000100000000000000000000000000000000000000000c02a04,00000000000031000202814000800004040450fa09,0,0,19,1,0,2,21,20,-9.142000000000001,-0.188,1,,,-,0.39899999999999997,-,0.39899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D00496
3926,D08330, Penicillamine hydrochloride, Penicillamine and similar agents,M01CC01,MUSCULO-SKELETAL SYSTEM,[C@@H](C(C)(C)S)(C(=O)O)[NH3+],150.219,-0.6101,39.8529,103.74,14,3,3,VVNCNSJFMMFHPL-VKHMYHEASA-O,C5H12NO2S+,[NH3+]C(C(S)(C)C)C(=O)O,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/p+1/t3-/m0/s1",-5.377999999999999,-5.367000000000001,-5.3445,-4.6024,-4.5435,-4.4030000000000005,1.7758,2.1959,2.3415,2.3638,2.5811,D08330_M01CC01,00000103000000000000040000000000000000000000000000000000000000001000000000040003000a0010000000000100400000004000000000000000000008000800000000000000040000800004003000400000000000000000000000000000000000000000000000000000000000041000000000000000000000000000,0500000c00e002,0100c0000c00000000008800000000100000000000000000000000000000000000000000c02a04,00000000000031000202814000800004040450fa09,0,0,19,1,0,2,21,20,-9.142000000000001,-0.188,1,1.0,,-,0.39899999999999997,-,0.39899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D08330
3927,D01809, Bucillamine (JP17/INN), Penicillamine and similar agents,M01CC02,MUSCULO-SKELETAL SYSTEM,C(C(=O)N[C@@H](CS)C(=O)O)(C)(C)S,223.313,0.5849,56.4325,144.0,18,4,6,VUAFHZCUKUDDBC-BYPYZUCNSA-N,C7H13NO3S2,SCC(C(=O)O)NC(=O)C(S)(C)C,"InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1",-4.5705,-4.3939,-4.3399,-3.8356,-3.7915,-2.7837,2.1498,2.2254,2.2811,2.3764,2.4195,D01809_M01CC02,00020103004000200100040000000000400000000000000000000000000000001800000400040003000e0010000000000003400000000000000000000000001008000800000008800000040002800002003000400000200000000a0a000000000000000000000080000000008000000000041000000010000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000202834a80e01004840452ff09,0,0,23,2,0,5,26,25,-4.745,2.95,1,,,-,1.6176,-,1.6176,https://www.genome.jp/dbget-bin/www_bget?dr:D01809
3928,D04102, Etofenamate (USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA06,MUSCULO-SKELETAL SYSTEM,c1cccc(c1C(=O)OCCOCCO)Nc1cc(ccc1)C(F)(F)F,369.335,3.6877,88.935,67.79,23,2,4,XILVEPYQJIOVNB-UHFFFAOYSA-N,C18H18F3NO4,OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",-4.2757,-4.1839,-4.1815,-4.1791,-3.4055,-2.8789999999999996,1.341,1.3801,1.3962,1.4023,1.5319,D04102_M02AA06,00020000000010c00004260000824000a01000900000080200200080000404400401400800000024200a020800000041100000000a800008000000020000060008000a02400002000000010100800004049000400400200050080000002180004000000010040000004001001000000000020100080510800008000002000000,0400001c30b025,009940100000000000009000000000004003000000000000000000000000000000000240603000,000000000002000080002204819620a47d8e677f1f,3,12,32,1,0,10,44,45,-9.125,-0.523,0,1.0,0.711249232,-,0.8662,-,0.8662,https://www.genome.jp/dbget-bin/www_bget?dr:D04102
3929,D01675, Felbinac (JP17/USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA08,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)c1ccc(cc1)CC(=O)O,212.24400000000003,2.9807,63.4228,37.3,13,1,2,QRZAKQDHEVVFRX-UHFFFAOYSA-N,C14H12O2,OC(=O)Cc1ccc(cc1)c1ccccc1,"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)",-4.5636,-4.4081,-1.3328,-0.789,-0.696,-0.5362,0.4772,0.4775,0.6012,1.2818,2.3712,D01675_M02AA08,00040000002000000200020000400000400000000000000000000080000000001000400000000011000a0008000000000000001000000004000000020000020808000800000004400000000000800001009800400000000840080800000100000000000000000000000000004000000000020100000100000000000000200000,0400000c00b003,020000000000000000008800000000000000000000000000000000000000000000000200402800,00000000000000200000000080000004080401561e,0,12,16,1,0,3,28,29,-4.4239999999999995,2.4659999999999997,0,,2.56828e-05,+,0.4339,+,0.4339,https://www.genome.jp/dbget-bin/www_bget?dr:D01675
3930,D01841, Felbinac ethyl (JAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA08,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)CC(=O)OCC)c1ccccc1,240.297,3.4592,72.55,26.3,18,0,2,NPPJLSILDPVHCM-UHFFFAOYSA-N,C16H16O2,CCOC(=O)Cc1ccc(cc1)c1ccccc1,"InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3",-4.4131,-2.9916,-1.2098,-0.8576,-0.6883,-0.5398,0.4126,0.4134,0.4174,1.1258,1.2863,D01841_M02AA08,00040000002000000200020000420000400000000000000000000080000400001000400000000011000a0008200001000000001000000004000000020000020808000800000004400000000000800001009800400000000840080800000100004000000000000000000000004000000000020100000100000000000000200000,04000000303005,030000000000000000009000000000000000000000000000000000000000000000000200402801,00000000000000200000000000180224090001d71e,0,12,22,1,0,5,34,35,-9.302,-0.021,0,,0.500730455,+,0.32299999999999995,+,0.32299999999999995,https://www.genome.jp/dbget-bin/www_bget?dr:D01841
3931,D01594, Bendazac (JAN/USAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA11,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCC(=O)O,282.29400000000004,2.548,78.5528,64.35,17,1,5,BYFMCKSPFYVMOU-UHFFFAOYSA-N,C16H14N2O3,OC(=O)COc1nn(c2c1cccc2)Cc1ccccc1,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",-4.555,-4.4484,-3.2302,-2.6759,-2.3655,-2.2033,1.3624,1.5081,2.1162,2.3792,2.4655,D01594_M02AA11,2040400a000004000800060000020004000080000880000044000080400810000000608b01088005188a011c00000400000026000000600000080082082000081c001c020100e4410002e00006d8800000c0014008000c00c00800000002100000100000008000060000000040100c0000062100080100201806000204000004,0400000c50b003,000002000000000000008800000004000000000000009800000000000000000000004600402800,0000000000000800818404e89971916f08670b7f1f,0,16,20,1,0,5,35,37,-4.394,2.602,0,1.0,3.52461e-05,+,0.5027,-,0.5027,https://www.genome.jp/dbget-bin/www_bget?dr:D01594
3932,D01594, Bendazac (JAN/USAN/INN)," Antiinflammatory agents, non-steroids",S01BC07,SENSORY ORGANS,c1cccc2c1c(nn2Cc1ccccc1)OCC(=O)O,282.29400000000004,2.548,78.5528,64.35,17,1,5,BYFMCKSPFYVMOU-UHFFFAOYSA-N,C16H14N2O3,OC(=O)COc1nn(c2c1cccc2)Cc1ccccc1,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",-4.5687,-4.3962,-2.7012,-2.6794,-2.3509,-2.1731,1.3721,1.5086,2.1175,2.3689,2.4268,D01594_S01BC07,2040400a000004000800060000020004000080000880000044000080400810000000608b01088005188a011c00000400000026000000600000080082082000081c001c020100e4410002e00006d8800000c0014008000c00c00800000002100000100000008000060000000040100c0000062100080100201806000204000004,0400000c50b003,000002000000000000008800000004000000000000009800000000000000000000004600402800,0000000000000800818404e89971916f08670b7f1f,0,16,20,1,0,5,35,37,-4.394,2.602,0,1.0,3.52461e-05,+,0.5027,-,0.5027,https://www.genome.jp/dbget-bin/www_bget?dr:D01594
3933,D07503, Bendazac lysine (BAN)," Antiinflammatory preparations, non-steroids for topical use",M02AA11,MUSCULO-SKELETAL SYSTEM,c1cccc2c1c(nn2Cc1ccccc1)OCC(=O)O,282.29400000000004,2.548,78.5528,64.35,17,1,5,BYFMCKSPFYVMOU-UHFFFAOYSA-N,C16H14N2O3,OC(=O)COc1nn(c2c1cccc2)Cc1ccccc1,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",-4.5694,-4.3915,-3.1526,-2.6785,-2.3665,-2.1944,1.3543,1.5145,2.1156,2.3706,2.4608,D07503_M02AA11,2040400a000004000800060000020004000080000880000044000080400810000000608b01088005188a011c00000400000026000000600000080082082000081c001c020100e4410002e00006d8800000c0014008000c00c00800000002100000100000008000060000000040100c0000062100080100201806000204000004,0400000c50b003,000002000000000000008800000004000000000000009800000000000000000000004600402800,0000000000000800818404e89971916f08670b7f1f,0,16,20,1,0,5,35,37,-4.3919999999999995,2.605,0,1.0,3.5260300000000005e-05,+,0.4567,-,0.4567,https://www.genome.jp/dbget-bin/www_bget?dr:D07503
3934,D07503, Bendazac lysine (BAN)," Antiinflammatory agents, non-steroids",S01BC07,SENSORY ORGANS,c1cccc2c1c(nn2Cc1ccccc1)OCC(=O)O,282.29400000000004,2.548,78.5528,64.35,17,1,5,BYFMCKSPFYVMOU-UHFFFAOYSA-N,C16H14N2O3,OC(=O)COc1nn(c2c1cccc2)Cc1ccccc1,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",-4.551,-4.4483,-3.208,-2.6757,-2.358,-2.187,1.3551,1.5044,2.1163,2.3723,2.4529,D07503_S01BC07,2040400a000004000800060000020004000080000880000044000080400810000000608b01088005188a011c00000400000026000000600000080082082000081c001c020100e4410002e00006d8800000c0014008000c00c00800000002100000100000008000060000000040100c0000062100080100201806000204000004,0400000c50b003,000002000000000000008800000004000000000000009800000000000000000000004600402800,0000000000000800818404e89971916f08670b7f1f,0,16,20,1,0,5,35,37,-4.3919999999999995,2.605,0,1.0,3.5260300000000005e-05,+,0.4567,-,0.4567,https://www.genome.jp/dbget-bin/www_bget?dr:D07503
3935,D01289, Suxibuzone (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA22,MUSCULO-SKELETAL SYSTEM,C1(=O)N(N(C(=O)C1(CCCC)COC(=O)CCC(=O)O)c1ccccc1)c1ccccc1,438.473,3.696,124.59299999999999,104.22,33,1,8,ONWXNHPOAGOMTG-UHFFFAOYSA-N,C24H26N2O6,CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",-4.5652,-4.4351,-4.4297,-3.8205,-3.8175,-2.995,1.6421,1.6942,1.6976,1.9442,2.3676,D01289_M02AA22,080300000000000017000e0002820001800000100080000400000000000400001000300080690061100e001c200010e0011020003420c01c000100000000a60048100800c00002200000b8000884001c009003700c003800e80900000041000000000000210200000020200000002c2000070100000158000000000146400500,0400000c30b007,0b0000000000000000009800000000000000000000000000000000000000000000000600402801,0000000000000820028404eb81b0beefd96d2fff1f,0,12,44,4,0,11,58,60,-4.507,1.114,0,0.0,0.001982562,+,1.9136,-,1.9136,https://www.genome.jp/dbget-bin/www_bget?dr:D01289
3936,D01437, Nifenazone (JAN/INN)," Antiinflammatory preparations, non-steroids for topical use",M02AA24,MUSCULO-SKELETAL SYSTEM,n1(c2ccccc2)c(=O)c(c(n1C)C)NC(=O)c1cnccc1,308.335,2.2047,88.2662,68.92,20,1,6,BRZANEXCSZCZCI-UHFFFAOYSA-N,C17H16N4O2,O=C(c1cccnc1)Nc1c(=O)n(n(c1C)C)c1ccccc1,"InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)",-4.1018,-3.6421,-3.0591,-2.8349,-1.9249,-1.8977,1.2248,1.2811,1.2873,1.3984,1.5531,D01437_M02AA24,a0070280000006c00b004600060140048018088030800208000000c0020084000c00748300488120288e0518800010c0023022000000600104808002c00080040c200c0041000200000060000088800000c000400c002801c0080181040100060010000202c004004240000004100c013006010002410820088a808006000014,0400000000b001,0100000000000000000080002a0000004003000000009900000000000000000000000640403800,000000000000082001c404f80320914bd0e179ea1f,0,17,22,2,0,4,39,41,-8.469,-0.35,0,,0.112396717,+,1.3551,-,1.3551,https://www.genome.jp/dbget-bin/www_bget?dr:D01437
3937,D01437, Nifenazone (JAN/INN), Pyrazolones,N02BB05,NERVOUS SYSTEM,n1(c2ccccc2)c(=O)c(c(n1C)C)NC(=O)c1cnccc1,308.335,2.2047,88.2662,68.92,20,1,6,BRZANEXCSZCZCI-UHFFFAOYSA-N,C17H16N4O2,O=C(c1cccnc1)Nc1c(=O)n(n(c1C)C)c1ccccc1,"InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)",-4.1344,-3.6364,-3.0646,-2.8239,-1.9204,-1.8963,1.2441,1.264,1.2945,1.4034,1.5594,D01437_N02BB05,a0070280000006c00b004600060140048018088030800208000000c0020084000c00748300488120288e0518800010c0023022000000600104808002c00080040c200c0041000200000060000088800000c000400c002801c0080181040100060010000202c004004240000004100c013006010002410820088a808006000014,0400000000b001,0100000000000000000080002a0000004003000000009900000000000000000000000640403800,000000000000082001c404f80320914bd0e179ea1f,0,17,22,2,0,4,39,41,-8.469,-0.35,0,,0.112396717,+,1.3551,-,1.3551,https://www.genome.jp/dbget-bin/www_bget?dr:D01437
3938,D00250, Capsaicin (JAN/USP), Capsaicin and similar agents,M02AB01,MUSCULO-SKELETAL SYSTEM,c1(cc(c(cc1)O)OC)CNC(=O)CCCC/C=C/C(C)C,305.41200000000003,4.1805,90.5207,58.56,31,2,4,YKPUWZUDDOIDPM-SOFGYWHQSA-N,C18H27NO3,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",-4.3373,-3.8542,-3.8149,-3.2145,-1.3031,-1.0918,0.8905,1.0256,1.1139,1.4601,1.4767,D00250_M02AB01,000200000000042401000600000300000000009000406200000000c00000200018805400008000001086001800000080010202000020080000000002000000000880000001040001000000000ac802040090014000002000c0081000000000000214002200000002000000000010000000060100080110200800804500000100,0400000452b001,1700020000000000000080000a0000000000000000010000000000000000000000000200432800,00000000000000008002021e8c6831e00dd4f6ff1f,0,6,41,2,0,10,49,49,-9.443999999999999,0.013000000000000001,0,,0.344747484,-,0.4845,-,0.4845,https://www.genome.jp/dbget-bin/www_bget?dr:D00250
3939,D00250, Capsaicin (JAN/USP), Other local anesthetics,N01BX04,NERVOUS SYSTEM,c1(cc(c(cc1)O)OC)CNC(=O)CCCC/C=C/C(C)C,305.41200000000003,4.1805,90.5207,58.56,31,2,4,YKPUWZUDDOIDPM-SOFGYWHQSA-N,C18H27NO3,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",-4.3266,-3.853,-3.8451,-3.2243,-1.3105,-1.0783,0.8903,1.0183,1.1144,1.4588,1.4855,D00250_N01BX04,000200000000042401000600000300000000009000406200000000c00000200018805400008000001086001800000080010202000020080000000002000000000880000001040001000000000ac802040090014000002000c0081000000000000214002200000002000000000010000000060100080110200800804500000100,0400000452b001,1700020000000000000080000a0000000000000000010000000000000000000000000200432800,00000000000000008002021e8c6831e00dd4f6ff1f,0,6,41,2,0,10,49,49,-9.443999999999999,0.013000000000000001,0,,0.344747484,-,0.4845,-,0.4845,https://www.genome.jp/dbget-bin/www_bget?dr:D00250
3940,D06388, Zucapsaicin (USAN/INN), Capsaicin and similar agents,M02AB02,MUSCULO-SKELETAL SYSTEM,c1(cc(c(cc1)O)OC)CNC(=O)CCCC/C=C\C(C)C,305.41200000000003,4.1805,90.5207,58.56,31,2,4,YKPUWZUDDOIDPM-VURMDHGXSA-N,C18H27NO3,COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-",-4.3071,-3.8656,-3.8167,-3.2212,-1.2968,-1.1007,0.8894,1.0315,1.1108,1.4533,1.4774,D06388_M02AB02,000200000000042401000600000300000000009000406200000000c00000200018805400008000001086001800000080010202000020080000000002000000000880000001040001000000000ac802040090014000002000c0081000000000000214002200000002000000000010000000060100080110200800804500000100,0400000452b001,1700020000000000000080000a0000000000000000010000000000000000000000000200432800,00000000000000008002021e8c6831e00dd4f6ff1f,0,6,41,2,0,10,49,49,-9.443999999999999,0.008,0,0.0,0.35978919299999995,-,0.4845,-,0.4845,https://www.genome.jp/dbget-bin/www_bget?dr:D06388
3941,D08063, Idrocilamide (INN), Other topical products for joint and muscular pain,M02AX05,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)/C=C/C(=O)NCCO,191.226,1.1992,55.1175,49.33,16,2,3,OSCTXCOERRNGLW-VOTSOKGWSA-N,C11H13NO2,OCCNC(=O)C=Cc1ccccc1,"InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+",-4.6907,-4.1376,-3.8551,-2.1635,-1.9203,-1.6380000000000001,1.0667,1.0982,1.3648,1.5847,2.4156,D08063_M02AX05,0002000000000004010006000000400000000140002048000000008000000000080040000000000200060008000000000000800000800100000100020004003008000800020000000000010002800000008000c000002000400840000000800100040000800010800000000080000000000601000001000000c0000000000000,0400001c00b001,1018000000000000000080000a0000000001000000000000000000000000000000000240436800,0000000000002000000002488c7030000c06447f1f,0,6,19,2,0,5,27,27,-9.42,-0.672,0,0.0,0.038054176,-,0.2695,-,0.2695,https://www.genome.jp/dbget-bin/www_bget?dr:D08063
3942,D08617, Tolperisone (INN), Other topical products for joint and muscular pain,M02AX06,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)C(=O)[C@H](C[NH+]1CCCCC1)C)C,246.368,3.4518,80.9112,21.51,25,1,1,FSKFPVLPFLJRQB-AWEZNQCLSA-O,C16H24NO+,CC(C(=O)c1ccc(cc1)C)C[NH+]1CCCCC1,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3/p+1/t14-/m0/s1",-5.9725,-4.605,-4.5649,-4.5418,-2.8424,-1.9047,1.4462,1.4619,1.5625,1.5688,1.5912,D08617_M02AX06,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4824830103dda71f,0,6,36,1,0,4,42,43,-12.412,-3.841,1,-1.0,0.007931071999999999,+,0.4377,-,0.4377,https://www.genome.jp/dbget-bin/www_bget?dr:D08617
3943,D08617, Tolperisone (INN), Other centrally acting agents,M03BX04,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)C(=O)[C@H](C[NH+]1CCCCC1)C)C,246.368,3.4518,80.9112,21.51,25,1,1,FSKFPVLPFLJRQB-AWEZNQCLSA-O,C16H24NO+,CC(C(=O)c1ccc(cc1)C)C[NH+]1CCCCC1,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3/p+1/t14-/m0/s1",-5.9619,-4.6078,-4.5787,-4.5287,-2.7989,-1.946,1.4449,1.4614,1.5655,1.5697,1.5891,D08617_M03BX04,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4824830103dda71f,0,6,36,1,0,4,42,43,-12.412,-3.841,1,-1.0,0.007931071999999999,+,0.4377,-,0.4377,https://www.genome.jp/dbget-bin/www_bget?dr:D08617
3944,D01507, Tolperisone hydrochloride (JP17), Other topical products for joint and muscular pain,M02AX06,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)C(=O)[C@H](C[NH+]1CCCCC1)C)C,246.368,3.4518,80.9112,21.51,25,1,1,FSKFPVLPFLJRQB-AWEZNQCLSA-O,C16H24NO+,CC(C(=O)c1ccc(cc1)C)C[NH+]1CCCCC1,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3/p+1/t14-/m0/s1",-5.9639999999999995,-4.6078,-4.5858,-4.5639,-2.8148,-1.9388,1.4533,1.463,1.5664,1.5688,1.5923,D01507_M02AX06,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4824830103dda71f,0,6,36,1,0,4,42,43,-12.408,-3.84,1,,0.007932198,+,0.4377,-,0.4377,https://www.genome.jp/dbget-bin/www_bget?dr:D01507
3945,D01507, Tolperisone hydrochloride (JP17), Other centrally acting agents,M03BX04,MUSCULO-SKELETAL SYSTEM,c1c(ccc(c1)C(=O)[C@H](C[NH+]1CCCCC1)C)C,246.368,3.4518,80.9112,21.51,25,1,1,FSKFPVLPFLJRQB-AWEZNQCLSA-O,C16H24NO+,CC(C(=O)c1ccc(cc1)C)C[NH+]1CCCCC1,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3/p+1/t14-/m0/s1",-5.9706,-4.6065,-4.5723,-4.5252,-2.8327,-1.9219,1.4488,1.4583,1.5619,1.5719999999999998,1.5863,D01507_M03BX04,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4824830103dda71f,0,6,36,1,0,4,42,43,-12.408,-3.84,1,,0.007932198,+,0.4377,-,0.4377,https://www.genome.jp/dbget-bin/www_bget?dr:D01507
3946,D01215, Alcuronium chloride (JAN/USAN/INN), Curare alkaloids,M03AA01,MUSCULO-SKELETAL SYSTEM,[C@H]12C3=CN4[C@@H]5C(=CN1c1c([C@]62[C@H]2C[C@@H]3/C(=C\CO)/C[N@@+]2(CC6)CC=C)cccc1)[C@H]1C[C@@H]2[C@@]5(c3c4cccc3)CC[N@+]2(C/C/1=C/CO)CC=C,666.893,5.5232,215.924,46.94,54,2,4,MUQUYTSLDVKIOF-NVRGUAQOSA-N,C44H50N4O2++,C=CC[N+]12CCC34C2CC(C(=CCO)C1)C1=CN2c5ccccc5C56C2C(=CN(C31)c1c4cccc1)C1CC6[N+](CC1=CCO)(CC5)CC=C,"InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25-,34-26-/t31-,32?,39+,40+,41+,42+,43-,44-,47-,48-/m0/s1",-6.154,-6.0603,-5.8746,-5.7925,-4.9401,-4.8592,1.8286,1.8335,1.8619999999999999,1.9179,2.3165,D01215_M03AA01,002601e2800002261a08062002801884a015069010404800008c00800050800411095081008080203000201881011060010200011822010a0601000301c005244a000c004005020002002100020006000080037004003808e2091808800c20100004002820021003543018000000022080060100120110000186000102424000,0100001c00f021,1e1840040500000000080000000000000000000000000000000000000000000000006600c02204,0000002202100300028c36841ed1a08345a70d7d1f,0,12,92,6,0,6,100,110,-13.224,-5.364,10,1.0,0.0017541710000000001,+,9.0558,-,9.0558,https://www.genome.jp/dbget-bin/www_bget?dr:D01215
3947,D02207, Tubocurarine chloride (USP), Curare alkaloids,M03AA02,MUSCULO-SKELETAL SYSTEM,c12[C@@H]3[N+](CCc1cc(c(c2Oc1ccc(C[C@@H]2[N@H+](CCc4c2cc(c(c4)OC)Oc2cc(C3)ccc2O)C)cc1)O)OC)(C)C,610.739,6.8119,183.963,81.82,48,3,6,JFJZZMVDLULRGK-URLMMPGGSA-P,C37H42N2O6++,COc1cc2CC[NH+](C3c2cc1Oc1cc(ccc1O)CC1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1",-6.0453,-5.9925,-5.7895,-4.7922,-4.7896,-4.7611,1.8195,1.8259999999999998,1.8413,1.8478,1.8675,D02207_M03AA02,00270000000406240a000600800300040000208000003200010000e00000000010844481004040000081301800014200010a020000200800240000020002004008a00000010400010000202082480000408880400000300840081800840810000116400200000442020100c02010000000860110080110200800004609000000,01000004d2f001,02004606040000000000000000000000000000000001000000000000000000000000c600c02204,0000002000000101800632159bc1ade305fffff91f,0,24,69,0,0,2,87,93,-13.579,-5.353,3,,0.232183948,+,4.3824,-,4.3824,https://www.genome.jp/dbget-bin/www_bget?dr:D02207
3948,D08655, Tubocurarine chloride (INN), Curare alkaloids,M03AA02,MUSCULO-SKELETAL SYSTEM,c12[C@@H]3[N+](CCc1cc(c(c2Oc1ccc(C[C@@H]2[N@H+](CCc4c2cc(c(c4)OC)Oc2cc(C3)ccc2O)C)cc1)O)OC)(C)C,610.739,6.8119,183.963,81.82,48,3,6,JFJZZMVDLULRGK-URLMMPGGSA-P,C37H42N2O6++,COc1cc2CC[NH+](C3c2cc1Oc1cc(ccc1O)CC1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1",-6.0443,-5.9902,-5.7909,-4.7922,-4.7902,-4.7608,1.8189,1.8262,1.8416,1.8471,1.8673,D08655_M03AA02,00270000000406240a000600800300040000208000003200010000e00000000010844481004040000081301800014200010a020000200800240000020002004008a00000010400010000202082480000408880400000300840081800840810000116400200000442020100c02010000000860110080110200800004609000000,01000004d2f001,02004606040000000000000000000000000000000001000000000000000000000000c600c02204,0000002000000101800632159bc1ade305fffff91f,0,24,69,0,0,2,87,93,-13.376,-5.349,3,1.0,0.29904422199999997,+,4.3706,-,4.3706,https://www.genome.jp/dbget-bin/www_bget?dr:D08655
3949,D07272, Dimethyltubocurarine (BAN), Curare alkaloids,M03AA04,MUSCULO-SKELETAL SYSTEM,c12[C@@H]3[N+](CCc1cc(c(c2Oc1ccc(C[C@@H]2[N@H+](CCc4c2cc(c(c4)OC)Oc2cc(C3)ccc2OC)C)cc1)OC)OC)(C)C,638.7919999999999,7.4179,192.90099999999998,59.82,52,1,6,GMAJRXOYQVZSRJ-IOWSJCHKSA-O,C39H46N2O6++,COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C3Cc1ccc(Oc3c4C(C2)[N+](C)(C)CCc4cc(c3OC)OC)cc1)C,"InChI=1S/C39H45N2O6/c1-40-16-14-26-21-33(43-5)35-23-29(26)30(40)18-24-8-11-28(12-9-24)46-39-37-27(22-36(44-6)38(39)45-7)15-17-41(2,3)31(37)19-25-10-13-32(42-4)34(20-25)47-35/h8-13,20-23,30-31H,14-19H2,1-7H3/q+1/p+1/t30-,31+/m0/s1",-6.0447,-5.9715,-5.8,-4.7986,-4.7968,-4.7557,1.8144,1.8185,1.8395,1.8408,1.883,D07272_M03AA04,00270000000406240a000600800300040000208000003200010000e00000000010844481004040000081301800014200010a020000200800240000020002004008a00000010400010000202082480000408880400000300840081800840810000116400200000442020100c02010000000860110080110200800004609000000,01000000d0f001,02004606040000000000000000000000000000000000000000000000000000000000c600c02204,0000002000000101800632159bc1ade301fbfff91f,0,24,75,0,0,4,93,99,-13.489,-5.233,3,-1.0,0.764346898,+,5.0634,-,5.0634,https://www.genome.jp/dbget-bin/www_bget?dr:D07272
3950,D00766, Succinylcholine chloride (USP), Choline derivatives,M03AB01,MUSCULO-SKELETAL SYSTEM,[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C,290.399,0.2654,76.7308,52.6,34,0,4,AXOIZCJOOAYSMI-UHFFFAOYSA-N,C14H30N2O4++,O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",-4.8201,-4.8197,-4.8142,-4.8007,-4.7841,-4.7731,1.6094,1.6298,1.6327,1.9644,1.9748,D00766_M03AB01,00020000000000000000040002020000000000000000000000000000000400101000000000000013000a0000200000000100000000004010000100000000060008100800081000000000000000800004009000400000200000000000000000000000000000000000000000008000200000070180000200000000000000000400,0500000030e004,020040040400000000009000000000000000000000000000000000000000000000000000c02a01,00000020000001000002305008d02ca6893a1ef709,0,0,47,2,0,11,50,49,-16.105,-5.603,0,1.0,,+,1.8313,-,1.8313,https://www.genome.jp/dbget-bin/www_bget?dr:D00766
3951,D02275, Suxamethonium chloride hydrate (JP17), Choline derivatives,M03AB01,MUSCULO-SKELETAL SYSTEM,[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C,290.399,0.2654,76.7308,52.6,34,0,4,AXOIZCJOOAYSMI-UHFFFAOYSA-N,C14H30N2O4++,O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",-4.8163,-4.8061,-4.8049,-4.8018,-4.7914,-4.7814,1.6072,1.6248,1.6376,1.6526,1.9557,D02275_M03AB01,00020000000000000000040002020000000000000000000000000000000400101000000000000013000a0000200000000100000000004010000100000000060008100800081000000000000000800004009000400000200000000000000000000000000000000000000000008000200000070180000200000000000000000400,0500000030e004,020040040400000000009000000000000000000000000000000000000000000000000000c02a01,00000020000001000002305008d02ca6893a1ef709,0,0,47,2,0,11,50,49,-16.102,-5.603,0,0.0,,+,1.8313,-,1.8313,https://www.genome.jp/dbget-bin/www_bget?dr:D02275
3952,D00492, Pancuronium bromide (JP17/USAN/INN), Other quaternary ammonium compounds,M03AC01,MUSCULO-SKELETAL SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H]([C@H](C4)[N+]3(CCCCC3)C)OC(=O)C)C)CC[C@@]1([C@H]([C@H](C2)[N+]1(CCCCC1)C)OC(=O)C)C,572.862,6.0281,175.46099999999998,52.6,64,0,4,GVEAYVLWDAFXET-XGHATYIMSA-N,C35H60N2O4++,CC(=O)OC1CC2CCC3C(C2(CC1[N+]1(C)CCCCC1)C)CCC1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C,"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",-4.787,-4.7698,-4.7432,-4.7419,-4.7363,-4.7033,1.5558,1.7054,1.9391,1.9715,2.2168,D00492_M03AC01,00220000000002000200040100020000010000100000000000000000000400001000100000000013100a0010200000000102000000204002000000000000861008100800081008000000800102800000008001500000200080000000000000000000002000000000000000008000080000070180000310000000000100000000,0500000030e005,0f0040040400000000009000000000000000000000000000000000000000000000004400c02a05,0000002000000120020430d01ac9ace7997bbffb1d,0,0,104,2,0,6,101,106,-15.335,-5.175,10,,0.018497722,-,5.2332,-,5.2332,https://www.genome.jp/dbget-bin/www_bget?dr:D00492
3953,D02292, Gallamine triethiodide (USP), Other quaternary ammonium compounds,M03AC02,MUSCULO-SKELETAL SYSTEM,c1cc(c(c(c1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC,510.816,5.4525,153.988,27.69,63,0,3,OZLPUNFFCJDMJD-UHFFFAOYSA-N,C30H60N3O3+++,CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC,"InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3",-4.8211,-4.7385,-4.7233,-4.7163,-4.699,-4.6885,1.4509,1.4554,1.4557,1.473,1.5158,D02292_M03AC02,8002000000000000080006000002010001000000000000000000000000000000000000000000001200000408000000000008020000000000040000000000001008800802011000010000000002408000008000400000200040080000000000000000000000000042000000008010000002062000080000200800000001200004,0100000050f001,010042040400000000000000000000000000000000000000000000000000000000000200c02200,00000020000001008000304108d82b6209f2bef51f,0,6,90,0,0,21,96,96,-16.278,-8.309,0,,0.000218449,+,1.6322,-,1.6322,https://www.genome.jp/dbget-bin/www_bget?dr:D02292
3954,D00767, Vecuronium bromide (JAN/USAN/INN), Other quaternary ammonium compounds,M03AC03,MUSCULO-SKELETAL SYSTEM,[C@@]12([C@H]([C@H]3[C@H](CC2)[C@@]2([C@@H](CC3)C[C@@H]([C@H](C2)[NH+]2CCCCC2)OC(=O)C)C)C[C@@H]([C@@H]1OC(=O)C)[N+]1(CCCCC1)C)C,558.835,6.0768,170.56,57.04,62,1,4,BGSZAXLLHYERSY-XQIGCQGXSA-O,C34H58N2O4++,CC(=O)OC1CC2CCC3C(C2(CC1[NH+]1CCCCC1)C)CCC1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C,"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/p+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",-6.0755,-4.7818,-4.7413,-4.7004,-4.6216,-4.5487,1.5677,1.5892,1.5893,1.6105,1.9835,D00767_M03AC03,00220000000002000200040100020000010000100000000000000000000400001000100000000013100a0010200000000102000000204002000000000000861008100800081008000000800102800000008001500000200080000000000000000000002000000000000000008000080000070180000310000000000100000000,0500000030e005,0f0040060400000000009000000000000000000000000000000000000000000000004400c02a05,0000002000000120020432d69ac9ace7997bfffb1d,0,0,101,2,0,6,98,103,-15.447000000000001,-5.244,10,,0.007073141999999999,-,4.7748,-,4.7748,https://www.genome.jp/dbget-bin/www_bget?dr:D00767
3955,D00758, Atracurium besylate (USP), Other quaternary ammonium compounds,M03AC04,MUSCULO-SKELETAL SYSTEM,c12[C@@H]([N@@+](CCc1cc(c(c2)OC)OC)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1([C@@H](c2c(CC1)cc(c(c2)OC)OC)Cc1cc(c(cc1)OC)OC)C)C)Cc1cc(c(cc1)OC)OC,929.145,7.9831,267.341,126.44,84,0,12,YXSLJKQTIDHPOT-DQSWCWCPSA-N,C53H72N2O12++,COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43+,54-,55+",-6.0486,-5.8816,-4.7273,-4.7199,-4.6713,-4.5969,1.7473,1.8153,1.8399,1.845,1.8669,D00758_M03AC04,00270000000004200a000600000300040000008000403200010000c0011400001080448180404001008a301820010200010202001000c800200000020002a20008900800010400010000282282c80008009080400000300840080800800800000110000200000402020000c02010080000070110080110200800004748000000,0500000070f005,020042040400000000009000000000000000000000000000000000000000000000004600c02a05,0000002000000100800430101bd1ade789fbbfff1f,0,24,118,2,0,26,139,144,-12.399000000000001,-4.51,4,,0.26622599399999997,+,10.0702,-,10.0702,https://www.genome.jp/dbget-bin/www_bget?dr:D00758
3956,D04435, Hexafluorenium bromide (USAN), Other quaternary ammonium compounds,M03AC05,MUSCULO-SKELETAL SYSTEM,c12c3c(C(c1cccc2)[N+](C)(CCCCCC[N+](C)(C1c2c(c4c1cccc4)cccc2)C)C)cccc3,502.73199999999997,8.2396,160.483,0.0,42,0,0,HDZAQYPYABGTCL-UHFFFAOYSA-N,C36H42N2++,C[N+](C1c2ccccc2c2c1cccc2)(CCCCCC[N+](C1c2ccccc2c2c1cccc2)(C)C)C,"InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2",-7.0884,-6.5458,-4.8009,-4.7426,-4.7282,-4.6930000000000005,1.9477,2.1058,2.1212,2.1445,2.1822,D04435_M03AC05,00060000000004200200060080410002400000d000400000000000e0000080001000500030400010108000180000020001024000002000040000000200000200000000000004002000002000020800000080014000002008c0080810000000000010002300040000000000000000000000060190000110000100000100200000,0100000000f001,020040040400000000000000000000000000000000000000000000000000000000004200c02200,00000020000001000002309018c92c8211b21dad17,0,24,61,0,0,9,80,85,-13.762,-5.7379999999999995,0,-1.0,0.000164741,+,3.1742,-,3.1742,https://www.genome.jp/dbget-bin/www_bget?dr:D04435
3957,D00764, Pipecuronium bromide (USAN/INN), Other quaternary ammonium compounds,M03AC06,MUSCULO-SKELETAL SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H]([C@H](C4)[NH+]3CC[N+](CC3)(C)C)OC(=O)C)C)CC[C@@]1([C@H]([C@H](C2)[NH+]1CC[N+](CC1)(C)C)OC(=O)C)C,604.9069999999999,3.8553,191.00799999999998,61.48,68,2,4,OWWLUIWOFHMHOQ-XGHATYIMSA-P,C35H64N4O4++++,CC(=O)OC1CC2CCC3C(C2(CC1[NH+]1CC[N+](CC1)(C)C)C)CCC1(C3CC(C1OC(=O)C)[NH+]1CC[N+](CC1)(C)C)C,"InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/p+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",-6.0284,-6.0019,-4.7801,-4.7587,-4.7506,-4.7497,2.3482,2.3568,2.3574,2.3575,4.601,D00764_M03AC06,00020000000002000200040100020008010000100000000000000000000400001000100221000013100a0030200000000102000000204002000000000000861008100800081010000020800102800000008001400000200080000000000000000000002000000000000000008000080000070184000310000000000100000000,0500000030e005,0f0040060400000000009000000000000000000000000000000000000000000000004400c02a05,0000002000000120024632d69ac9ace79d7bfffb1d,0,0,110,2,0,6,107,112,-18.959,-10.270999999999999,10,,3.16015e-12,+,5.7265,-,5.7265,https://www.genome.jp/dbget-bin/www_bget?dr:D00764
3958,D00760, Doxacurium chloride (USAN/INN), Other quaternary ammonium compounds,M03AC07,MUSCULO-SKELETAL SYSTEM,c12[C@@H]([N@@+](CCc1cc(c(c2OC)OC)OC)(CCCOC(=O)CCC(=O)OCCC[N@@+]1([C@@H](c2c(CC1)cc(c(c2OC)OC)OC)Cc1cc(c(c(c1)OC)OC)OC)C)C)Cc1cc(c(c(c1)OC)OC)OC,1035.22,7.6274,288.502,163.36,94,0,16,GBLRQXKSCRCLBZ-JBSRGRPHSA-N,C56H78N2O16++,COc1c(OC)cc2c(c1OC)C(Cc1cc(OC)c(c(c1)OC)OC)[N+](CC2)(C)CCCOC(=O)CCC(=O)OCCC[N+]1(C)CCc2c(C1Cc1cc(OC)c(c(c1)OC)OC)c(OC)c(c(c2)OC)OC,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2/t39-,40+,57+,58-",-5.8473,-5.659,-4.9907,-4.8765,-4.7889,-4.7091,1.9293,2.0114,2.0385,2.1134,2.1284,D00760_M03AC07,00270000000004240e000600020300040000008000403200010000c0010400001084448180404001008a301820010200010a02000000c810240100020002224008b00800010400010000282082c80004409080400000300840081800800800000116000200000442020100c02010200000070110080110200800004649000400,0500000070f005,020042040400000000009000000000000000000000000000000000000000000000004600c02a05,0000002000000100800430111bd9ade789fbbfff1f,0,24,131,2,0,29,152,157,-12.470999999999998,-4.646,4,1.0,0.679443061,+,13.5765,-,13.5765,https://www.genome.jp/dbget-bin/www_bget?dr:D00760
3959,D07273, Fazadinium bromide (INN), Other quaternary ammonium compounds,M03AC08,MUSCULO-SKELETAL SYSTEM,c1ccn2c(c1)n(c(c2C)c1ccccc1)/N=N\n1c2n(c(c1c1ccccc1)C)cccc2,444.53,6.9866,136.04399999999998,43.4,26,0,4,JCSAPTSCKJTKPF-FLWNBWAVSA-N,C28H24N6,Cc1c(c2ccccc2)n(c2n1cccc2)N=Nn1c2ccccn2c(c1c1ccccc1)C,"InChI=1S/C28H24N6/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24/h3-20H,1-2H3/b30-29-",-4.5627,-4.5227,-3.0641,-3.0639,-2.3383,-2.3207,1.2197,1.2663,1.5233,1.5502,2.7421,D07273_M03AC08,8027008000001c200200ce000001200c0000009000030180002000c00000010010005083050000402080213800810180010200204000000000200003084003004c0000008004000000200000021800000080015018003009c0080800800c0000003000a2050201000000000000000000000f010480011000000000010c000000,0000000000b001,030000000000004203000000000000000000000000000000000000000000000000004600432004,000000002000082020d414a01a49e88b13233da917,0,12,64,1,0,4,72,77,-15.048,-8.162,0,-2.0,0.00133039,+,3.0322,-,3.0322,https://www.genome.jp/dbget-bin/www_bget?dr:D07273
3960,D00765, Rocuronium bromide (JAN/USAN/INN), Other quaternary ammonium compounds,M03AC09,MUSCULO-SKELETAL SYSTEM,[C@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@H](C2)[N+]1(CCCC1)CC=C)OC(=O)C)C)C)O)[NH+]1CCOCC1,530.7819999999999,4.5184,161.434,60.2,58,2,4,YXRDKMPIGHSVRX-OOJCLDBCSA-O,C32H54N2O4++,C=CC[N+]1(CCCC1)C1CC2C(C1OC(=O)C)(C)CCC1C2CCC2C1(C)CC(C(C2)O)[NH+]1CCOCC1,"InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/p+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1",-6.0288,-6.0138,-4.7675,-4.7053,-4.68,-4.5325,1.8132,1.8439,1.8519,2.0047,2.6689,D00765_M03AC09,00220002000002040200040100020000010000100000080000000000000400001000100000000013100a0010200000000102000000204002000100000000861008110800081028000000810102800000008001c00000200080000000000000000004002000000000100000008000080000070180000310000000000100000000,0500002c30e005,1fa840060400000000009000000000000000000000000000000000000000000000004400c02a05,0000002002002121020436c69ed9ace71d7fffff1d,0,0,95,2,0,6,92,97,-15.423,-5.577000000000001,10,-1.0,1.27454e-05,+,3.8274,-,3.8274,https://www.genome.jp/dbget-bin/www_bget?dr:D00765
3961,D00763, Mivacurium chloride (USAN/INN), Other quaternary ammonium compounds,M03AC10,MUSCULO-SKELETAL SYSTEM,[C@H]1(c2c(cc(c(c2)OC)OC)CC[N@@+]1(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N@+]1([C@@H](c2c(CC1)cc(c(c2)OC)OC)Cc1cc(c(c(c1)OC)OC)OC)C)C)Cc1cc(c(c(c1)OC)OC)OC,1029.26,8.9466,294.272,144.9,94,0,14,ILVYCEVXHALBSC-GZICNWBJSA-N,C58H80N2O14++,COc1cc2c(cc1OC)CC[N+](C2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCc2c(C1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC,"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59-,60+/m1/s1",-6.019,-5.0874,-4.7697,-4.7235,-4.6913,-4.6588,1.5779,1.6673,1.7424,1.837,1.8494,D00763_M03AC10,00270000000004240e000680000300040000008000407200010000c0010420001080448180c04001008a301820010200012a02020000c800240000020002220008900800010400010000282082c80204009080400000300840081800800800000314000200000442020000c0201000000007019008011020080000c649000000,0500000070f005,120042040400000000009000000000000000000000000000000000000000000000004600c32a05,0000002000000100800430111fd9ade789fbbfff1f,0,24,132,3,0,30,154,159,-12.595,-4.421,4,,0.8864539859999999,-,14.0978,-,14.0978,https://www.genome.jp/dbget-bin/www_bget?dr:D00763
3962,D00759, Cisatracurium besylate (USAN), Other quaternary ammonium compounds,M03AC11,MUSCULO-SKELETAL SYSTEM,c12[C@H]([N@+](CCc1cc(c(c2)OC)OC)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1([C@@H](c2c(CC1)cc(c(c2)OC)OC)Cc1cc(c(cc1)OC)OC)C)C)Cc1cc(c(cc1)OC)OC,929.145,7.9831,267.341,126.44,84,0,12,YXSLJKQTIDHPOT-LJCJQEJUSA-N,C53H72N2O12++,COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1",-5.6939,-5.6817,-4.9402,-4.8677,-4.8308,-4.8168,1.8368,1.8391,2.0173,2.0337,2.1361,D00759_M03AC11,00270000000004200a000600000300040000008000403200010000c0011400001080448180404001008a301820010200010202001000c800200000020002a20008900800010400010000282282c80008009080400000300840080800800800000110000200000402020000c02010080000070110080110200800004748000000,0500000070f005,020042040400000000009000000000000000000000000000000000000000000000004600c02a05,0000002000000100800430101bd1ade789fbbfff1f,0,24,118,2,0,26,139,144,-12.357999999999999,-4.515,4,,0.26923272,+,10.0702,-,10.0702,https://www.genome.jp/dbget-bin/www_bget?dr:D00759
3963,D01824, Phenprobamate (JAN/INN), Carbamic acid esters,M03BA01,MUSCULO-SKELETAL SYSTEM,NC(=O)OCCCc1ccccc1,179.21599999999998,2.4148,50.2104,52.32,16,1,3,CAMYKONBWHRPDD-UHFFFAOYSA-N,C10H13NO2,NC(=O)OCCCc1ccccc1,"InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)",-6.6621,-5.2381,-4.2287,-4.226,-3.574,-1.2138,1.3395,1.5357,2.0283,2.0433,2.233,D01824_M03BA01,00040000000000000200060000020000000000000000000002000080000000001000400040000001000c0008000100000100000000004000000000020000020008001800000000000001000000800000008000400000100840080800000800000000008000000000000000000000000000030100000100000800400000000000,0000000030b001,020000000000000000000000000000000040000100000000000000000000000000000200402800,000040000000000000000806003230240800447f1f,0,6,19,1,0,5,26,26,-9.898,0.5489999999999999,0,1.0,0.097208314,+,0.1888,-,0.1888,https://www.genome.jp/dbget-bin/www_bget?dr:D01824
3964,D00768, Carisoprodol (JAN/USP/INN), Carbamic acid esters,M03BA02,MUSCULO-SKELETAL SYSTEM,NC(=O)OC[C@](COC(=O)NC(C)C)(CCC)C,260.33,3.1139,68.3951,90.65,30,2,6,OFZCIYFFPZCNJE-GFCCVEGCSA-N,C12H24N2O4,CCCC(COC(=O)N)(COC(=O)NC(C)C)C,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)/t12-/m1/s1",-6.6619,-6.0042,-5.2396,-5.1869,-4.2584,-4.2209,2.0041,2.0703,2.1261,2.1878,2.6489,D00768_M03BA02,00020000000000800b00040000020000000020000000000002100000000000001800000000000001100c0010000000000100000000084001000000000000820008001a00000000000001000000800000008000400000200000000001000200000000008000000000000000008000080000070100000100000000400100000000,0000000030a000,0b0000000000000000000000000000000040000100000000000000000000000000000000402804,00004000000000000202080300ba3e24853a56ff09,0,0,39,2,0,10,42,41,-10.138,0.778,1,,,+,0.7169,-,0.7169,https://www.genome.jp/dbget-bin/www_bget?dr:D00768
3965,D00402, Methocarbamol (JAN/USP/INN), Carbamic acid esters,M03BA03,MUSCULO-SKELETAL SYSTEM,c1(c(cccc1)OC)OC[C@H](O)COC(=O)N,241.24,1.2305,59.3902,91.01,21,2,6,GNXFOGHNGIVQEH-QMMMGPOBSA-N,C11H15NO5,COc1ccccc1OCC(COC(=O)N)O,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1",-6.644,-5.3137,-4.2305,-4.2238,-3.5576,-1.919,1.4277,1.5355,2.0396,2.0580000000000003,2.2446,D00402_M03BA03,40010000000000000800060000020000400080000000000002000000000000001000000a00000005000c0018000000000000020000000001000000000000020008a01802010020010001000002c08000008000400000000040080001000000000000000000000002000000028010000000022100080500200800400000000004,0000002c70b001,002802000000000000000000000000000040000100000000000000000000000000000200402804,000040000000000080000813803211640ccee2ff1f,0,6,25,1,0,7,32,32,-8.845,0.56,1,,0.019580608,-,0.5045,-,0.5045,https://www.genome.jp/dbget-bin/www_bget?dr:D00402
3966,D07274, Styramate (INN), Carbamic acid esters,M03BA04,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)[C@H](COC(=O)N)O,181.18900000000002,1.5156,46.5652,72.55,15,2,4,OCSOHUROTFFTFO-QMMMGPOBSA-N,C9H11NO3,OC(c1ccccc1)COC(=O)N,"InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m0/s1",-6.6766,-5.2398,-4.2223,-4.2221,-3.5834,-2.8944,1.5398,1.7316,2.0433,2.0563,2.2391,D07274_M03BA04,00040000000000400200060000020000400000000000000002000480000000001000400800000005200c0008000000000000000000000004000000020000020808001800000004000001000000800000008000400000000840080800000100004000000000000000004000004000000000020100000500000000400000000000,0000002c30b001,002800000000000000000000000000000040000100000000000000000000000000000200402804,000040000000000080000802803210240c04c27f1f,0,6,17,1,0,4,24,24,-10.274000000000001,0.276,1,0.0,0.026595384,-,0.3046,-,0.3046,https://www.genome.jp/dbget-bin/www_bget?dr:D07274
3967,D07275, Febarbamate (INN), Carbamic acid esters,M03BA05,MUSCULO-SKELETAL SYSTEM,N1(C(=O)[C@](C(=O)NC1=O)(CC)c1ccccc1)C[C@@H](OC(=O)N)COCCCC,405.445,2.6604,111.65100000000001,128.03,36,2,9,QHZQILHUJDRDAI-FOIQADDNSA-N,C20H27N3O6,CCCCOCC(CN1C(=O)NC(=O)C(C1=O)(CC)c1ccccc1)OC(=O)N,"InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)/t15-,20-/m1/s1",-6.6611,-5.2577,-4.6162,-4.2385,-4.22,-3.7909,2.0485,2.0491,2.2457,2.3163,2.3949,D07275_M03BA05,00260000002008001302060000020004610000100000800002000880033401001800408980000017000e3d1820010200010200005000c00001000002080026300890180000100840000208000290000d1090004000003008e00908008029000044200020040000000000000080000000000f2100080710000054400150000000,0400000030b041,0b8000000000000000008000000000000040040100000000000000000000000000000600402804,00004000100000208294384f0bb2bee78d6bffff1f,0,6,47,4,0,11,56,57,-10.269,-0.488,2,0.0,0.44880369299999995,+,1.6273,-,1.6273,https://www.genome.jp/dbget-bin/www_bget?dr:D07275
3968,D00268, Chlormezanone (JAN/INN)," Oxazol, thiazine, and triazine derivatives",M03BB02,MUSCULO-SKELETAL SYSTEM,[C@H]1(c2ccc(cc2)Cl)S(=O)(=O)CCC(=O)N1C,273.736,2.6342,69.507,62.83,16,0,4,WEQAYVWKMWHEJO-LLVKDONJSA-N,C11H12ClNO3S,CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3/t11-/m1/s1",-7.032,-7.02,-3.9031,-3.7924,-3.6957,-3.5239999999999996,1.7831,1.8692,2.367,2.4219999999999997,2.8134,D00268_M03BB02,200203811000842021000600000100000000008000000400200000c000220408180044000003000002870018000000c008024000004000000003000208040004000000000004008000000c4046b8010200980440012020004c48000000004000001000020c000000000000000000000040061100086716006000800c02800000,0400000000b101,020000000000000000008000200000000000000000040000800000000000000000000600402805,000000000840443a0405d15862ecb84baa412feb1f,0,6,21,3,0,1,29,30,-10.253,-1.788,1,,0.129019365,-,0.3717,-,0.3717,https://www.genome.jp/dbget-bin/www_bget?dr:D00268
3969,D00771, Chlorzoxazone (JAN/USP/INN)," Oxazol, thiazine, and triazine derivatives",M03BB03,MUSCULO-SKELETAL SYSTEM,c12c(nc(o1)O)cc(cc2)Cl,169.565,2.1868,41.042,46.26,6,1,3,TZFWDZFKRBELIQ-UHFFFAOYSA-N,C7H4ClNO2,Clc1ccc2c(c1)nc(o2)O,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",-3.3674,-3.0475,-1.6207,-1.6119,-1.3454,-0.5997,0.5141,0.8486,0.9092,1.0009,1.796,D00771_M03BB03,000042040000140000000601002000000000001810000000000000000060000000009804000081200001000800000240000000408000200020000040000000000c00040640010020000060011404004200a800000500000050080000204408000002000004040000000000000002240000020000000008001000000002800100,0000000402b001,00000000000000000000000000000000000000000005b000000000000000000000004600400800,0000400000000001010044c050279145204580581f,0,10,6,0,0,0,15,16,-9.605,-0.46399999999999997,0,,0.026637686,+,0.2923,-,0.2923,https://www.genome.jp/dbget-bin/www_bget?dr:D00771
3970,D00774, Orphenadrine citrate (USP)," Ethers, chemically close to antihistamines",M03BC01,MUSCULO-SKELETAL SYSTEM,C[NH+](CCO[C@H](c1ccccc1)c1ccccc1C)C,270.389,2.2455,85.3277,13.67,25,1,1,QVYRGXJJSLMXQH-GOSISDBHSA-O,C18H24NO+,C[NH+](CCOC(c1ccccc1C)c1ccccc1)C,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.0497,-4.6167,-4.6061,-4.5489999999999995,-3.1521,-1.7901,1.4572,1.4717,1.571,1.5855,1.5862,D00774_M03BC01,000600000000004002000600810200020000004000000800002000a000040000100040000040001220000008000000000000000000000000000000020000000008000802081000000000210000000000008800400010200840080800000100000000000100041000004000009000000000060180000100000000000000000000,0100000030f001,018040020400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000002325088502c220892fdb51f,0,12,33,0,0,6,44,45,-11.939,-4.212,1,,0.011136046,+,0.3061,-,0.3061,https://www.genome.jp/dbget-bin/www_bget?dr:D00774
3971,D00241, Baclofen (JP17/USP/INN), Other centrally acting agents,M03BX01,MUSCULO-SKELETAL SYSTEM,c1([C@@H](CC(=O)O)C[NH3+])ccc(cc1)Cl,214.669,1.1402,56.5759,64.94,14,2,2,KPYSYYIEGFHWSV-QMMMGPOBSA-O,C10H13ClNO2+,[NH3+]CC(c1ccc(cc1)Cl)CC(=O)O,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/p+1/t8-/m0/s1",-5.3876,-5.3855,-5.3038,-4.6214,-4.3797,-4.1791,1.7691,1.775,1.7819,2.3823,2.3884,D00241_M03BX01,00040200000000000200060000000004000000000000040000000080002800001000408140000001000b00180001000001000000080040000000000200000000080008000000000000000000248000060098004000001008c0080800000800000000000000000000000000000000100000060100000100000000000000800200,0500000c00f003,0600c0000400000000008800000000000000000000040000000000000000000000000200c02a04,000000000000010000004206c80400042c0440771f,0,6,20,1,0,4,27,27,-7.282,-1.5719999999999998,1,0.0,3.29403e-06,-,0.3387,+,0.3387,https://www.genome.jp/dbget-bin/www_bget?dr:D00241
3972,D08611, Tizanidine (INN), Other centrally acting agents,M03BX02,MUSCULO-SKELETAL SYSTEM,c12c(NC3=[NH]CCN3)c(ccc1nsn2)Cl,254.71900000000002,1.7674,73.9211,101.93,14,3,5,IZYCUNGNQGYUIM-UHFFFAOYSA-N,C9H9ClN5S,Clc1ccc2c(c1NC1=[NH]CCN1)nsn2,"InChI=1S/C9H9ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2,11-13H,3-4H2",-8.5712,-8.4656,-6.537999999999999,-5.4108,-5.3668,-3.7414,2.7243,2.9369,2.9932,3.2704,3.2949,D08611_M03BX02,40430306014100020000060090a0000e8000004080000840000400008260100130000200000082210001212800012260004000001000200800004000000804000400140042020000090040001c20000200a800501401201046080a000010000001220009040402000080000000000400201e0002000000001000000006800100,0000000000b001,00004001000000000000000000000000004000000004d000000000000000000000004600403800,000000010904200205f0c6a6d847e00976a3642917,0,10,16,1,0,2,25,27,-12.475,-5.526,0,0.0,0.0013237479999999998,+,1.4101,-,1.4101,https://www.genome.jp/dbget-bin/www_bget?dr:D08611
3973,D00776, Tizanidine hydrochloride (JP17/USAN), Other centrally acting agents,M03BX02,MUSCULO-SKELETAL SYSTEM,c12c(NC3=[NH]CCN3)c(ccc1nsn2)Cl,254.71900000000002,1.7674,73.9211,101.93,14,3,5,IZYCUNGNQGYUIM-UHFFFAOYSA-N,C9H9ClN5S,Clc1ccc2c(c1NC1=[NH]CCN1)nsn2,"InChI=1S/C9H9ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2,11-13H,3-4H2",-8.5591,-8.4748,-6.5578,-5.4106,-5.3643,-3.7439,2.73,2.9417,2.9919,3.2665,3.3162,D00776_M03BX02,40430306014100020000060090a0000e8000004080000840000400008260100130000200000082210001212800012260004000001000200800004000000804000400140042020000090040001c20000200a800501401201046080a000010000001220009040402000080000000000400201e0002000000001000000006800100,0000000000b001,00004001000000000000000000000000004000000004d000000000000000000000004600403800,000000010904200205f0c6a6d847e00976a3642917,0,10,16,1,0,2,25,27,-12.472999999999999,-5.529,0,-2.0,0.00132318,+,1.4101,-,1.4101,https://www.genome.jp/dbget-bin/www_bget?dr:D00776
3974,D08418, Pridinol (INN), Other centrally acting agents,M03BX03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(c1ccccc1)(CC[NH+]1CCCCC1)O,296.427,3.9506,96.2485,24.67,27,2,1,RQXCLMGKHJWMOA-UHFFFAOYSA-O,C20H26NO+,OC(c1ccccc1)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/p+1",-6.0011,-4.5897,-4.5837,-4.5829,-3.8448,-2.4085,1.5474,1.5538,1.5874,1.5949,1.6727,D08418_M03BX03,00260000000000400a000600800000000000005000000000000000a001000000100050008000000120000018000100000102000000008000000000020000000008000c000000000000000000020000000080015000003008c0080800000900000000002100000000004000000000000000060100000110000002000100000000,0100004c00f001,024840020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000001100020432068bc020830d07cd351f,0,12,38,0,0,5,48,50,-12.283,-3.798,0,-1.0,0.0019499370000000001,-,0.7505,-,0.7505,https://www.genome.jp/dbget-bin/www_bget?dr:D08418
3975,D02064, Pridinol mesilate (JAN), Other centrally acting agents,M03BX03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(c1ccccc1)(CC[NH+]1CCCCC1)O,296.427,3.9506,96.2485,24.67,27,2,1,RQXCLMGKHJWMOA-UHFFFAOYSA-O,C20H26NO+,OC(c1ccccc1)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/p+1",-6.034,-4.5972,-4.5929,-4.5259,-3.8688,-1.9859,1.5899,1.5903,1.5913,1.5926,1.6778,D02064_M03BX03,00260000000000400a000600800000000000005000000000000000a001000000100050008000000120000018000100000102000000008000000000020000000008000c000000000000000000020000000080015000003008c0080800000900000000002100000000004000000000000000060100000110000002000100000000,0100004c00f001,024840020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000001100020432068bc020830d07cd351f,0,12,38,0,0,5,48,50,-12.282,-3.799,0,0.0,0.0019493520000000001,-,0.7505,-,0.7505,https://www.genome.jp/dbget-bin/www_bget?dr:D02064
3976,D08419, Pridinol hydrochloride, Other centrally acting agents,M03BX03,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)C(c1ccccc1)(CC[NH+]1CCCCC1)O,296.427,3.9506,96.2485,24.67,27,2,1,RQXCLMGKHJWMOA-UHFFFAOYSA-O,C20H26NO+,OC(c1ccccc1)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/p+1",-5.9886,-4.5901,-4.5815,-4.5672,-3.8393,-2.4125,1.5528,1.5671,1.5827,1.591,1.6754,D08419_M03BX03,00260000000000400a000600800000000000005000000000000000a001000000100050008000000120000018000100000102000000008000000000020000000008000c000000000000000000020000000080015000003008c0080800000900000000002100000000004000000000000000060100000110000002000100000000,0100004c00f001,024840020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000001100020432068bc020830d07cd351f,0,12,38,0,0,5,48,50,-12.28,-3.798,0,1.0,0.0019499089999999999,-,0.7505,-,0.7505,https://www.genome.jp/dbget-bin/www_bget?dr:D08419
3977,D07276, Thiocolchicoside (INN), Other centrally acting agents,M03BX05,MUSCULO-SKELETAL SYSTEM,c12c(c3c([C@H](CC1)NC(=O)C)cc(=O)c(cc3)SC)c(c(c(c2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)OC,563.617,1.1459,142.239,189.31,45,5,12,LEQAKWQJCITZNK-AXHKHJLKSA-N,C27H33NO10S,OCC1OC(Oc2cc3CCC(c4c(c3c(c2OC)OC)ccc(c(=O)c4)SC)NC(=O)C)C(C(C1O)O)O,"InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1",-4.3932,-3.8304,-3.7989,-3.7042,-3.1659,-3.1371,1.5132,1.5285,2.3197,2.3597,2.4494,D07276_M03BX05,600701000012e4000b00061600430501600080b420401210410000c0002480001940504a2050801508860c1820011680011a620006a04815040000824000820408b02e02a10420318000a12212c881000080006000003048e00808510008200204340022002804422008004a40152a810007b1100a0112200912804301300004,0400003c70b101,03380a0020018040000080000a0000000001000000000100000000000000000000004677403804,00000400000030858000831f927931649cddf7ff1f,0,13,60,2,0,8,72,75,-8.385,-1.465,6,-1.0,0.64719981,+,3.0991,-,3.0991,https://www.genome.jp/dbget-bin/www_bget?dr:D07276
3978,D02595, Mephenesin (INN), Other centrally acting agents,M03BX06,MUSCULO-SKELETAL SYSTEM,c1cccc(c1C)OC[C@@H](CO)O,182.21599999999998,0.727,49.8376,49.69,17,2,3,JWDYCNIAQWPBHD-SECBINFHSA-N,C10H14O3,OCC(COc1ccccc1C)O,"InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3/t9-/m1/s1",-1.9207,-1.9062,-1.6869,-1.143,-1.13,-1.1297,0.7382,0.8302,0.835,0.8368,1.2581,D02595_M03BX06,00000000000000000000020000030000000080000000000000000080000000001000400a0000000500000008000000000000020000000001008000220000000008200800010020010000000002008000008000400000000040080001100000000000000000000002000000020010000000020100080100200800000000000004,0000003c50b001,013802000001000000000000000000000000000000000000000000000000000000000200402004,000000000000200080000203801801600cc6a2d51e,0,6,21,0,0,4,27,27,-9.371,0.509,1,1.0,0.022406884,-,0.4021,-,0.4021,https://www.genome.jp/dbget-bin/www_bget?dr:D02595
3979,D07277, Tetrazepam (INN), Other centrally acting agents,M03BX07,MUSCULO-SKELETAL SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)C)C1=CCCCC1,288.772,3.1065,89.71799999999999,32.67,20,0,3,IQWYAQCHYZHJOS-UHFFFAOYSA-N,C16H17ClN2O,Clc1ccc2c(c1)C(=NCC(=O)N2C)C1=CCCCC1,"InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",-3.7824,-2.7914,-2.7128,-2.3443,-2.1092,-1.4149,0.9628,1.0116,1.5638,1.6522,1.6961,D07277_M03BX07,0406022280000244038406001a800808801840851040484000000080802020001008440000a0002040070128012110404108020008a02008200010020088240280801800400406800080300004c0120200ac004024003908430e9920210b000002242410010000154200800000000040000e0908220120000000040502c00000,04000000003001,120000000000080000008000200000000000000000040000000000000000000000004640407800,000004000000022000ec50585c65f8c369e12dab1f,0,6,30,3,0,1,37,39,-9.46,-0.7,0,1.0,0.6931697729999999,+,0.6441,-,0.6441,https://www.genome.jp/dbget-bin/www_bget?dr:D07277
3980,D07758, Cyclobenzaprine (INN), Other centrally acting agents,M03BX08,MUSCULO-SKELETAL SYSTEM,C1=Cc2c(/C(=C\CC[NH+](C)C)/c3c1cccc3)cccc2,276.395,3.1367,93.3297,4.44,22,1,0,JURKNVYFZMSNLP-UHFFFAOYSA-O,C20H22N+,C[NH+](CCC=C1c2ccccc2C=Cc2c1cccc2)C,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3/p+1",-6.0356,-4.6207,-4.6076,-4.5558,-0.8212,-0.7483,1.4299,1.4446,1.4709999999999999,1.5844,1.5877,D07758_M03BX08,0006000000000004020c0600800040020000004000204000000000a0000000011000400000c0000000000018000010000000000000000000400000020004000402000000030000000000200000000000088000400001200840081800000000040004000180040880000000000000002200060100000310000001000800020800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004240c32200,0000040000000300000a32109c412c0200805da517,0,12,31,2,0,3,43,45,-11.175999999999998,-3.911,0,-2.0,0.054399527999999996,+,0.5538,-,0.5538,https://www.genome.jp/dbget-bin/www_bget?dr:D07758
3981,D00772, Cyclobenzaprine hydrochloride (USP), Other centrally acting agents,M03BX08,MUSCULO-SKELETAL SYSTEM,C1=Cc2c(/C(=C\CC[NH+](C)C)/c3c1cccc3)cccc2,276.395,3.1367,93.3297,4.44,22,1,0,JURKNVYFZMSNLP-UHFFFAOYSA-O,C20H22N+,C[NH+](CCC=C1c2ccccc2C=Cc2c1cccc2)C,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3/p+1",-6.0207,-4.6242,-4.61,-4.5714,-0.8088,-0.7471,1.4380000000000002,1.4688,1.4691,1.577,1.578,D00772_M03BX08,0006000000000004020c0600800040020000004000204000000000a0000000011000400000c0000000000018000010000000000000000000400000020004000402000000030000000000200000000000088000400001200840081800000000040004000180040880000000000000002200060100000310000001000800020800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004240c32200,0000040000000300000a32109c412c0200805da517,0,12,31,2,0,3,43,45,-11.174000000000001,-3.911,0,1.0,0.05439141,+,0.5538,-,0.5538,https://www.genome.jp/dbget-bin/www_bget?dr:D00772
3982,D07898, Eperisone (INN), Other centrally acting agents,M03BX09,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)C(=O)[C@@H](C[NH+]1CCCCC1)C)CC,260.394,3.7058,85.7182,21.51,27,1,1,SQUNAWUMZGQQJD-CQSZACIVSA-O,C17H26NO+,CCc1ccc(cc1)C(=O)C(C[NH+]1CCCCC1)C,"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/p+1/t14-/m1/s1",-6.0377,-4.591,-4.5641,-4.5286,-2.8081,-1.5213,1.4455,1.4621,1.5603,1.5692,1.5812,D07898_M03BX09,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4826830103dda71f,0,6,39,1,0,5,45,46,-12.445,-3.937,1,0.0,0.017685108,-,0.4065,-,0.4065,https://www.genome.jp/dbget-bin/www_bget?dr:D07898
3983,D01671, Eperisone hydrochloride (JP17), Other centrally acting agents,M03BX09,MUSCULO-SKELETAL SYSTEM,c1(ccc(cc1)C(=O)[C@@H](C[NH+]1CCCCC1)C)CC,260.394,3.7058,85.7182,21.51,27,1,1,SQUNAWUMZGQQJD-CQSZACIVSA-O,C17H26NO+,CCc1ccc(cc1)C(=O)C(C[NH+]1CCCCC1)C,"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/p+1/t14-/m1/s1",-6.0411,-4.5898,-4.5542,-4.5201,-2.8044,-1.5228,1.4483,1.4581,1.5579,1.5699,1.5809,D01671_M03BX09,00260000000000800a00060000000000000000100000000000000080001000001400500000000000000202180001000001020000100000000000000200000000000004000000000000000000028000080098015000003008c008080000090000000000200000000000000000000000000006014000011000000a000100000000,1500000000f001,070040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100000432068b4826830103dda71f,0,6,39,1,0,5,45,46,-12.440999999999999,-3.938,1,,0.017684113,-,0.4065,-,0.4065,https://www.genome.jp/dbget-bin/www_bget?dr:D01671
3984,D07953, Fenyramidol (INN), Other centrally acting agents,M03BX30,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)[C@H](CNc1ccccn1)O,214.263,2.3001,63.9985,45.15,17,2,3,ZEAJXCPGHPJVNP-LBPRGKRZSA-N,C13H14N2O,OC(c1ccccc1)CNc1ccccn1,"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)/t12-/m0/s1",-4.9188,-3.6358,-3.1217,-2.8901,-2.7161,-2.1947,1.1943,1.2593,1.2612,1.4525,2.9749,D07953_M03BX30,000600000010004002080600088000048000000080000008000000800000000011006081000880222080201c000010400000a0000000200800400002000004000c000c00000002000000000000180000008000400400200840080820000100000000100000000000004000008000042000060100007110000000000002400000,0000002c00b021,002800008000000000000000000000010000000000009000000000000000000000000600402804,0000000020002000011002408a0000015c25c13d1f,0,12,19,0,0,4,30,31,-8.624,0.24,1,1.0,0.18457455899999997,-,0.293,-,0.293,https://www.genome.jp/dbget-bin/www_bget?dr:D07953
3985,D00755, Phenyramidol hydrochloride (USAN), Other centrally acting agents,M03BX30,MUSCULO-SKELETAL SYSTEM,c1cccc(c1)[C@H](CNc1ccccn1)O,214.263,2.3001,63.9985,45.15,17,2,3,ZEAJXCPGHPJVNP-LBPRGKRZSA-N,C13H14N2O,OC(c1ccccc1)CNc1ccccn1,"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)/t12-/m0/s1",-4.926,-3.6562,-3.1226,-2.8951,-2.7146,-2.1122,1.1914,1.2565,1.4482,2.0869999999999997,2.855,D00755_M03BX30,000600000010004002080600088000048000000080000008000000800000000011006081000880222080201c000010400000a0000000200800400002000004000c000c00000002000000000000180000008000400400200840080820000100000000100000000000004000008000042000060100007110000000000002400000,0000002c00b021,002800008000000000000000000000010000000000009000000000000000000000000600402804,0000000020002000011002408a0000015c25c13d1f,0,12,19,0,0,4,30,31,-8.624,0.24,1,1.0,0.18454656,-,0.293,-,0.293,https://www.genome.jp/dbget-bin/www_bget?dr:D00755
3986,D02347, Dantrolene (USAN/INN), Dantrolene and derivatives,M03CA01,MUSCULO-SKELETAL SYSTEM,c1(c2ccc(cc2)[N](=O)O)oc(cc1)/C=N/N1CC(=O)NC1=O,315.26099999999997,2.4218,86.6602,124.57,18,2,6,RGWJPCLIABVKCE-VIZOYTHASA-N,C14H11N4O5,O=C1CN(C(=O)N1)N=Cc1ccc(o1)c1ccc(cc1)[N](=O)O,"InChI=1S/C14H11N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,21,22)(H,16,19,20)/b15-7+",-5.2994,-4.6408,-4.2946,-3.8199,-3.5826,-2.96,1.7593,1.7730000000000001,1.9548,2.0517,2.3614,D02347_M03CA01,0003000440c8216003008e00084000095000000a10000044000840c00000000018004800000004702006032800012e4103880010001603040128004200400201100008406001102080000000008401c400a830407410200461080018004100151260ac41010041000040000000200000804e010000010800182820000e20c808,0500000000f041,00000000000000000000800000000000004000100000a000000000000000000000000640c32a00,000080001000896170f404eba962d04bde6dea6b1f,0,11,21,4,0,4,34,36,-9.717,-2.142,0,0.0,0.383560151,+,1.2963,-,1.2963,https://www.genome.jp/dbget-bin/www_bget?dr:D02347
3987,D02274, Dantrolene sodium (USAN), Dantrolene and derivatives,M03CA01,MUSCULO-SKELETAL SYSTEM,c1(c2ccc(cc2)[N](=O)O)oc(cc1)/C=N/N1CC(=O)NC1=O,315.26099999999997,2.4218,86.6602,124.57,17,2,6,RGWJPCLIABVKCE-VIZOYTHASA-N,C14H11N4O5,O=C1CN(C(=O)N1)N=Cc1ccc(o1)c1ccc(cc1)[N](=O)O,"InChI=1S/C14H11N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,21,22)(H,16,19,20)/b15-7+",-5.2998,-4.6336,-4.2935,-3.822,-3.583,-2.9597,1.7592,1.7714,1.9543,2.0515,2.3605,D02274_M03CA01,0003000440c8216003008e00084000095000000a10000044000840c00000000018004800000004702006032800012e4103880010001603040128004200400201100008406001102080000000008401c400a830407410200461080018004100151260ac41010041000040000000200000804e010000010800182820000e20c808,0500000000f041,00000000000000000000800000000000004000100000a000000000000000000000000640c32a00,000080001000896170f404eba962d04bde6dea6b1f,0,11,21,4,0,4,34,36,-9.898,-7.702999999999999,0,1.0,0.13414704800000002,+,1.266,-,1.266,https://www.genome.jp/dbget-bin/www_bget?dr:D02274
3988,D00224, Allopurinol (JP17/USP/INN), Preparations inhibiting uric acid production,M04AA01,MUSCULO-SKELETAL SYSTEM,c12c(ncnc1O)cn[nH]2,136.111,0.0585,33.7067,74.69,8,2,4,JFZSDNLQDTYVEE-UHFFFAOYSA-N,C5H4N4O,Oc1ncnc2c1[nH]nc2,"InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)",-3.1059,-2.8448,-2.6243,-2.2566,-2.2121,-1.8722,1.2371,1.3840000000000001,1.4026,1.5949,2.0752,D00224_M04AA01,a00420080000004000004200000000000000000000000208000000000040100000000000400880212000000800000240000026400000600008000000000000000c000c0000000000000000000600000000000008040000014000000000010000000000000000000408c00000400008000006000000100060180000000a400000,0000000402b001,000000000000000000000000000001000000000000019400000000000000000000004600401800,000000000000280011d004e813219149046540181f,0,10,5,0,0,0,14,15,-9.787,-0.635,0,,0.001664964,+,0.5378,-,0.5378,https://www.genome.jp/dbget-bin/www_bget?dr:D00224
3989,D07564, Allopurinol sodium, Preparations inhibiting uric acid production,M04AA01,MUSCULO-SKELETAL SYSTEM,c12c(ncnc1O)cn[nH]2,136.111,0.0585,33.7067,74.69,7,2,4,JFZSDNLQDTYVEE-UHFFFAOYSA-N,C5H4N4O,Oc1ncnc2c1[nH]nc2,"InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)",-3.1059,-2.8448,-2.6243,-2.2566,-2.2121,-1.8722,1.2371,1.3840000000000001,1.4026,1.5949,2.0752,D07564_M04AA01,a00420080000004000004200000000000000000000000208000000000040100000000000400880212000000800000240000026400000600008000000000000000c000c0000000000000000000600000000000008040000014000000000010000000000000000000408c00000400008000006000000100060180000000a400000,0000000402b001,000000000000000000000000000001000000000000019400000000000000000000004600401800,000000000000280011d004e813219149046540181f,0,10,5,0,0,0,14,15,-3.7569999999999997,4.54,0,0.0,0.0038168959999999997,+,0.486,-,0.486,https://www.genome.jp/dbget-bin/www_bget?dr:D07564
3990,D07278, Tisopurine (INN), Preparations inhibiting uric acid production,M04AA02,MUSCULO-SKELETAL SYSTEM,c1[nH]c(=S)c2c([nH]1)[nH]nc2,153.185,1.2297,40.0361,92.35,7,3,2,RCZYNFDZTWAVFU-UHFFFAOYSA-N,C5H5N4S,S=c1[nH]c[nH]c2c1cn[nH]2,"InChI=1S/C5H5N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2,7H,(H2,6,8,9,10)",-5.0825,-4.8598,-4.5868,-4.1393,-3.8336,-3.3687,1.6258,1.8956,2.2749,3.4007,3.8434,D07278_M04AA02,088201000100100010008c000020400700000040000000000c0000000000210010000000000000400000031000110040010b0000000000040000000000200000000000000002002000000000001000010000004008002002000100000000000002200020050000080000000000004000000c000000001000000000010c000000,2000000000a001,040000000000004003008000000400000000000000000000100000000000000000004400400804,000000082044388018d187a69a4180890423402915,0,0,20,1,0,0,20,21,-12.84,-6.39,0,0.0,3.72504e-06,+,0.6817,-,0.6817,https://www.genome.jp/dbget-bin/www_bget?dr:D07278
3991,D01206, Febuxostat (JAN/USAN/INN), Preparations inhibiting uric acid production,M04AA03,MUSCULO-SKELETAL SYSTEM,c1c(c(cc(c1)c1sc(c(n1)C)C(=O)O)C#N)OCC(C)C,316.375,3.72318,85.1033,111.45,20,1,6,BQSJTQLCZDPROO-UHFFFAOYSA-N,C16H16N2O3S,N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C,"InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)",-5.5392,-5.3996,-3.3449,-2.0123,-1.7533,-1.3383,0.8134,0.9765,1.0602,1.1379,2.3665,D01206_M04AA03,000001020008108020142604ac03080004120000010022000000008c001004021c00413000041021800a0808182000c1014042841000a00080e00022000040010c200c08812002010100200032808000008a0050008a0900510880100011000068c01b0c80004402008002022112000010020110080900200800000006000204,0400000c50b013,05000200000000000000880000000000500100000000d0000000000000000000000006c0403800,0000000008410020010285800110856500f5b2df1f,0,11,26,1,1,5,38,39,-5.181,1.8030000000000002,0,0.0,0.001028205,-,0.6777,-,0.6777,https://www.genome.jp/dbget-bin/www_bget?dr:D01206
3992,D00475, Probenecid (JP17/USP/INN), Preparations increasing uric acid excretion,M04AB01,MUSCULO-SKELETAL SYSTEM,c1(S(=O)(=O)N(CCC)CCC)ccc(cc1)C(=O)O,285.35900000000004,3.2763,73.4263,83.06,23,1,5,DBABZHXKTCFAPX-UHFFFAOYSA-N,C13H19NO4S,CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",-10.3776,-9.3941,-9.3178,-4.3957,-4.2727,-2.9184,2.3634,2.4176,2.6679,2.733,3.1061,D00475_M04AB01,60220100000000c000000620000400002c0000000000000004000080000000021c00401800000000200a121800000080006600000000400001000002002000000800080000002080010000000280000000800060002020004008400000010000000000000000000000400000080008000006b101000110010018800010000000,0400000c00b003,030000000000000000008800000000000001000000000000000024000000000000000240402800,000000800100449e0401a12028ca368e830e1eff1f,0,6,29,3,0,7,38,38,-5.0889999999999995,1.4409999999999998,0,0.0,4.78009e-05,-,0.2785,-,0.2785,https://www.genome.jp/dbget-bin/www_bget?dr:D00475
3993,D00449, Sulfinpyrazone (JAN/USP/INN), Preparations increasing uric acid excretion,M04AB02,MUSCULO-SKELETAL SYSTEM,C1(C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)CC[S@@](=O)c1ccccc1,404.48199999999997,4.7912,120.075,76.9,25,0,5,MBGGBVCUIVRRBF-GDLZYMKVSA-N,C23H20N2O3S,O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2/t29-/m1/s1",-3.8237,-3.8215,-1.3078,-1.3056,-1.1626,-1.037,0.6635,0.6644,0.7038,0.8396,0.9942,D00449_M04AB02,280301010000001013000e00008000018000001000060004000000000020000019002408006980600106001c000010e0012020003440000c000000000000040440000000400022a6000034000084010c009004700c007800e849000000410084000000002102000000210002000000200006900000007a000002800406400000,04000000003101,060000000000000000008000000000000000000000000000000100000000000000000640402807,0000000000000cbc048585e92120b04bda612f6f1f,0,18,31,3,0,6,49,52,-9.38,-0.35600000000000004,0,,0.157938212,+,1.2654,-,1.2654,https://www.genome.jp/dbget-bin/www_bget?dr:D00449
3994,D01056, Benzbromarone (JP17/USAN/INN), Preparations increasing uric acid excretion,M04AB03,MUSCULO-SKELETAL SYSTEM,c1ccc2c(c1)c(c(o2)CC)C(=O)c1cc(c(c(c1)Br)O)Br,424.083,5.4568,93.2845,50.44,14,1,3,WHQCHUCQKNIQEC-UHFFFAOYSA-N,C17H12Br2O3,CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2,"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",-3.8167,-0.7694,-0.6275,-0.5645,-0.4939,-0.4875,0.4487,0.4589,0.4721,0.5387,0.6095,D01056_M04AB03,000400080800008002200601802000021000804a14005204004000a01200000814004800004000404a020208000000000000020000001000000001022040000008000010a02000408100200013840840008c00c02000001c40080800004102400902204900040102008100000102000000020100010108a00888201000404000,1400000402b001,03000000000001000000000000000000400100000011a000000000000000000000004640403000,0000000000200001000044811005034028c5a3d61e,0,16,19,1,0,3,34,36,-9.316,-0.818,0,0.0,0.940068364,+,0.6051,-,0.6051,https://www.genome.jp/dbget-bin/www_bget?dr:D01056
3995,D07279, Isobromindione (INN), Preparations increasing uric acid excretion,M04AB04,MUSCULO-SKELETAL SYSTEM,c1(ccc2c(c1)C(=O)[C@@H](C2=O)c1ccccc1)Br,301.135,3.6119,72.097,34.14,11,0,2,QFLZIWVSQDZLNW-CYBMUJFWSA-N,C15H9BrO2,Brc1ccc2c(c1)C(=O)C(C2=O)c1ccccc1,"InChI=1S/C15H9BrO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H/t13-/m1/s1",-2.8486,-2.8483,-0.9707,-0.9705,-0.8825,-0.882,0.4125,0.4126,0.9848,1.06,1.0618,D07279_M04AB04,0005000808200080022006000000800000000000000012000100008000080000140040000040400040021208000140000100000008001000000400020000000000000200000000410010200010800005009000c00000100840080800000900400000000000000000008000000000000000020100020100000088001100400000,14000000003001,040000000000010000000000000000000001000000100000000000000000000000004240402807,00000000002000200000408110050040a0c0a1421e,0,12,15,2,0,1,27,29,-10.123,-1.252,1,1.0,0.645867944,+,0.6385,-,0.6385,https://www.genome.jp/dbget-bin/www_bget?dr:D07279
3996,D09921, Lesinurad (USAN), Preparations increasing uric acid excretion,M04AB05,MUSCULO-SKELETAL SYSTEM,c1cc(c2c(c1n1c(nnc1Br)SCC(=O)O)cccc2)C1CC1,404.281,4.2371,97.3308,93.31,18,1,6,FGQFOYHRJSUHMR-UHFFFAOYSA-N,C17H14BrN3O2S,OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br,"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)",-4.5842,-4.3611,-1.3330000000000002,-1.1143,-0.9931,-0.9657,0.8412,0.8743,1.2093,1.8328,2.3817,D09921_M04AB05,44052114084004800200060000000020400000000000120000040080002800221000480000033021088a000800010040410826000c004080040200020080000c0c000800400004000000040104882080008100400c10100940480800000906000030000801010001040000004000210002861140204108400889100006800400,0400000c00b103,060008002000000000008800000000000000000000109800000000000000000000004600402800,00002000006008a401d4d5a09007800f78a52d7f1f,0,16,24,1,0,5,38,41,-4.563,1.781,0,-2.0,0.0017788670000000002,+,1.3435,-,1.3435,https://www.genome.jp/dbget-bin/www_bget?dr:D09921
3997,D09922, Lesinurad sodium (USAN), Preparations increasing uric acid excretion,M04AB05,MUSCULO-SKELETAL SYSTEM,c1cc(c2c(c1n1c(nnc1Br)SCC(=O)O)cccc2)C1CC1,404.281,4.2371,97.3308,93.31,18,1,6,FGQFOYHRJSUHMR-UHFFFAOYSA-N,C17H14BrN3O2S,OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br,"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)",-4.5389,-4.4367,-1.3376,-1.1325,-0.9965,-0.9904,0.8719,0.8740000000000001,1.2009,1.8306,2.364,D09922_M04AB05,44052114084004800200060000000020400000000000120000040080002800221000480000033021088a000800010040410826000c004080040200020080000c0c000800400004000000040104882080008100400c10100940480800000906000030000801010001040000004000210002861140204108400889100006800400,0400000c00b103,060008002000000000008800000000000000000000109800000000000000000000004600402800,00002000006008a401d4d5a09007800f78a52d7f1f,0,16,24,1,0,5,38,41,-4.565,1.785,0,-1.0,0.001778206,+,1.3154,-,1.3154,https://www.genome.jp/dbget-bin/www_bget?dr:D09922
3998,D00570, Colchicine (JP17/USP), Preparations with no effect on uric acid metabolism,M04AC01,MUSCULO-SKELETAL SYSTEM,C1c2c(c(c(c(c2)OC)OC)OC)c2c([C@H](C1)NC(=O)C)cc(=O)c(cc2)OC,399.43699999999995,3.2625,109.35700000000001,83.09,32,1,7,IAKHMKGGTNLKSZ-INIZCTEOSA-N,C22H25NO6,COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)OC,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1",-4.3855,-3.8428,-3.7822,-3.6335,-3.1672,-1.3530000000000002,1.0271,1.094,1.3194,1.4406,1.4908,D00570_M04AC01,00060000001244000b000616004300004000009020403210010000c00000800018405040205000100886041800010280011a620006000804040000824000020008a00602a10400210000202012c801000080004000003008c00808500008000200340022000004422000004808140201000601100a0110200912804301300000,0400000050b001,0300020000000000000080000a0000000001000000000100000000000000000000004240403804,00000400000000008000001b9069316090d8f6fa1f,0,13,41,2,0,6,54,56,-8.758,-0.622,1,1.0,0.674511075,+,2.1405,-,2.1405,https://www.genome.jp/dbget-bin/www_bget?dr:D00570
3999,D07280, Cinchophen (BAN), Preparations with no effect on uric acid metabolism,M04AC02,MUSCULO-SKELETAL SYSTEM,c1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)O,249.264,3.6,74.1383,50.19,13,1,3,YTRMTPPVNRALON-UHFFFAOYSA-N,C16H11NO2,OC(=O)c1cc(nc2c1cccc2)c1ccccc1,"InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)",-4.3942,-4.279,-2.0621,-2.0418,-1.3362,-1.3319999999999999,0.7468,0.7616,1.0246,1.1685,2.3123,D07280_M04AC02,20000000000804c00004020004400110410000004000000000000080000000000400408000008030288a020800000040000040400000200400300002000002000c000c0a40000200008040000088008000800040040000004008001000014000040008000000000000c000002000040000020110004100000018000002200000,0400000c00b003,000000000000000000008800000000000001000000009000000000000000000000004640402800,000000000000002001000000120100050005015a1f,0,17,14,1,0,2,30,32,-5.0489999999999995,2.0869999999999997,0,2.0,0.000154659,-,0.3948,-,0.3948,https://www.genome.jp/dbget-bin/www_bget?dr:D07280
4000,D02373, Etidronic acid (USAN/INN), Bisphosphonates,M05BA01,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(C)O,206.028,-0.9922,34.902,154.91,11,5,7,DBVJJBKOTRCVKF-UHFFFAOYSA-N,C2H8O7P2,CC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",-8.4125,-8.4033,-8.1775,-8.1409,-7.9755,-7.9755,3.7195,4.0451,4.0472,4.0684,4.0705,D02373_M05BA01,058000000000000000000000000000200040010000000000000000000002000000000000000000000000500500000000000000000000000000000000280000000800080000000000000002000000000000000040000000000000000000000000000000000000000000000000000000000100000000004000000a040000100000,0000000c00a000,010000000000000000000000000000000000000000000000000000001004000000000000402800,00000010008430009000000120820008860c0ad008,0,0,16,2,0,2,19,18,7.934,19.247,0,1.0,,+,0.5941,-,0.5941,https://www.genome.jp/dbget-bin/www_bget?dr:D02373
4001,D00314, Etidronate disodium (JP17/USP), Bisphosphonates,M05BA01,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(C)O,206.028,-0.9922,34.902,154.91,11,5,7,DBVJJBKOTRCVKF-UHFFFAOYSA-N,C2H8O7P2,CC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",-8.6008,-8.5769,-8.5725,-8.5711,-8.4133,-8.404,3.5045,4.0885,4.0895,4.1043,4.1098,D00314_M05BA01,058000000000000000000000000000200040010000000000000000000002000000000000000000000000500500000000000000000000000000000000280000000800080000000000000002000000000000000040000000000000000000000000000000000000000000000000000000000100000000004000000a040000100000,0000000c00a000,010000000000000000000000000000000000000000000000000000001004000000000000402800,00000010008430009000000120820008860c0ad008,0,0,16,2,0,2,19,18,7.934,19.247,0,1.0,,+,0.5941,-,0.5941,https://www.genome.jp/dbget-bin/www_bget?dr:D00314
4002,D03545, Clodronic acid (USAN/INN), Bisphosphonates,M05BA02,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,244.892,0.4307,38.5252,134.68,6,4,6,ACSIXWWBWUQEHA-UHFFFAOYSA-N,CH4Cl2O6P2,ClC(P(=O)(O)O)(P(=O)(O)O)Cl,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",-8.589,-8.585,-8.5487,-8.5375,-8.3931,-8.3727,4.0231,4.1323,4.138,5.7395,5.7515,D03545_M05BA02,0080020000000000000000000000002000400100000000000000000050020000000000000000000000010005000000000000000000000000000000002800000000000000000000000000020000000000000000000000000000000000000000000000000000000001000000000000000001000000100040000000040000100000,0000000000a000,800000000000000000000000000000000000000000000000000000001004000000000000002800,00000010008410001000000160860008a60c0a4008,0,0,12,2,0,2,15,14,6.914,16.567999999999998,0,-2.0,,+,0.6656,-,0.6656,https://www.genome.jp/dbget-bin/www_bget?dr:D03545
4003,D03544, Clodronate disodium (USAN), Bisphosphonates,M05BA02,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,244.892,0.4307,38.5252,134.68,6,4,6,ACSIXWWBWUQEHA-UHFFFAOYSA-N,CH4Cl2O6P2,ClC(P(=O)(O)O)(P(=O)(O)O)Cl,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",-8.5869,-8.5825,-8.5813,-8.5461,-8.3704,-8.3547,4.0928,4.0971,4.0997,5.7546,5.7597,D03544_M05BA02,0080020000000000000000000000002000400100000000000000000050020000000000000000000000010005000000000000000000000000000000002800000000000000000000000000020000000000000000000000000000000000000000000000000000000001000000000000000001000000100040000000040000100000,0000000000a000,800000000000000000000000000000000000000000000000000000001004000000000000002800,00000010008410001000000160860008a60c0a4008,0,0,12,2,0,2,15,14,6.915,16.573,0,,,+,0.6656,-,0.6656,https://www.genome.jp/dbget-bin/www_bget?dr:D03544
4004,D07720, Clodronic acid disodium salt, Bisphosphonates,M05BA02,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,244.892,0.4307,38.5252,134.68,6,4,6,ACSIXWWBWUQEHA-UHFFFAOYSA-N,CH4Cl2O6P2,ClC(P(=O)(O)O)(P(=O)(O)O)Cl,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",-8.587,-8.5807,-8.5757,-8.5474,-8.381,-8.3559,4.0941,4.0973,4.0985,5.7556,5.7565,D07720_M05BA02,0080020000000000000000000000002000400100000000000000000050020000000000000000000000010005000000000000000000000000000000002800000000000000000000000000020000000000000000000000000000000000000000000000000000000001000000000000000001000000100040000000040000100000,0000000000a000,800000000000000000000000000000000000000000000000000000001004000000000000002800,00000010008410001000000160860008a60c0a4008,0,0,12,2,0,2,15,14,6.9110000000000005,16.565,0,0.0,,+,0.6656,-,0.6656,https://www.genome.jp/dbget-bin/www_bget?dr:D07720
4005,D07281, Pamidronic acid (INN), Bisphosphonates,M05BA03,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(CC[NH3+])O,236.077,-2.3801,43.6741,182.55,15,6,7,WRUUGTRCQOWXEG-UHFFFAOYSA-O,C3H12NO7P2+,[NH3+]CCC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)/p+1",-8.6524,-8.6476,-8.5937,-8.5354,-8.4084,-8.3876,3.4791,4.0751,4.0894,4.1011,4.1379,D07281_M05BA03,058000000000001000000400000004200040010000000000000000000002000010000000000040010000501500000000000000000000800000002000280000000800080000000004000006000000000000000040000000000000000000000000000000000000000000000000000000000104000000004000000a040000100000,0100000c00e000,0200c0000400000000000000000000000000000000000000000000001004000000000000c02a00,000000100084310090000207a9c220088e0c4e7509,0,0,22,2,0,4,25,24,4.0760000000000005,7.559,0,1.0,,-,0.4924,-,0.4924,https://www.genome.jp/dbget-bin/www_bget?dr:D07281
4006,D00941, Pamidronate disodium (USAN), Bisphosphonates,M05BA03,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(CC[NH3+])O,236.077,-2.3801,43.6741,182.55,15,6,7,WRUUGTRCQOWXEG-UHFFFAOYSA-O,C3H12NO7P2+,[NH3+]CCC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)/p+1",-8.6139,-8.5877,-8.4553,-8.4519,-8.1306,-7.9753,3.7236,4.0411,4.0836,4.0988,4.1162,D00941_M05BA03,058000000000001000000400000004200040010000000000000000000002000010000000000040010000501500000000000000000000800000002000280000000800080000000004000006000000000000000040000000000000000000000000000000000000000000000000000000000104000000004000000a040000100000,0100000c00e000,0200c0000400000000000000000000000000000000000000000000001004000000000000c02a00,000000100084310090000207a9c220088e0c4e7509,0,0,22,2,0,4,25,24,4.079,7.562,0,,,-,0.4924,-,0.4924,https://www.genome.jp/dbget-bin/www_bget?dr:D00941
4007,D07119, Alendronic acid (INN), Bisphosphonates,M05BA04,MUSCULO-SKELETAL SYSTEM,P(=O)(C(CCC[NH3+])(O)P(=O)(O)O)(O)O,250.104,-1.99,48.4811,182.55,17,6,7,OGSPWJRAVKPPFI-UHFFFAOYSA-O,C4H14NO7P2+,[NH3+]CCCC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p+1",-8.6952,-8.6426,-8.6324,-8.5989,-8.3905,-8.3195,3.5197,4.0353,4.0363,4.0918,4.1031,D07119_M05BA04,058000000000001000000400000004200040010000000000000000000002000010000000000040010000501500000000010000000080400000001000280000000800080000000002000002022000000000000040000000008000000000000000000000000000000000000000000010000104000000004000000a040000100000,0100000c00e000,0200c0000400000000000000000000000000000000000000000000001004000000000000c02a00,000000100084310090000207a8c220088e0c4e7509,0,0,25,2,0,5,28,27,4.063,6.8839999999999995,0,0.0,,-,0.4814,-,0.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D07119
4008,D00939, Alendronate sodium (USAN), Bisphosphonates,M05BA04,MUSCULO-SKELETAL SYSTEM,P(=O)(C(CCC[NH3+])(O)P(=O)(O)O)(O)O,250.104,-1.99,48.4811,182.55,17,6,7,OGSPWJRAVKPPFI-UHFFFAOYSA-O,C4H14NO7P2+,[NH3+]CCCC(P(=O)(O)O)(P(=O)(O)O)O,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p+1",-8.6933,-8.6198,-8.6104,-8.5857,-8.3864,-8.3373,3.4918,4.0295,4.0636,4.0907,4.0975,D00939_M05BA04,058000000000001000000400000004200040010000000000000000000002000010000000000040010000501500000000010000000080400000001000280000000800080000000002000002022000000000000040000000008000000000000000000000000000000000000000000010000104000000004000000a040000100000,0100000c00e000,0200c0000400000000000000000000000000000000000000000000001004000000000000c02a00,000000100084310090000207a8c220088e0c4e7509,0,0,25,2,0,5,28,27,3.905,6.656000000000001,0,0.0,,-,0.4814,-,0.4814,https://www.genome.jp/dbget-bin/www_bget?dr:D00939
4009,D08599, Tiludronic acid (INN), Bisphosphonates,M05BA05,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)Sc1ccc(cc1)Cl,318.608,2.0711,65.1472,159.98,12,4,7,DKJJVAGXPKPDRL-UHFFFAOYSA-N,C7H9ClO6P2S,Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",-8.6184,-8.5932,-8.5688,-8.5672,-8.406,-8.3623,3.5136,4.0955,4.103,4.1085,4.1085,D08599_M05BA05,208003000000000000000200000000200040010000000010000020000022000009000000000084040001040d000100800000000000000000000000002800000400000000001000000000020804000002008800200000000040080000000000000004000000000000000000180000200003021000000042000003840000900000,0000000000b101,000008000000000000000000000000000000000000040000000000001004000000000200402800,00000010008410841000c10160860008a60c0a401e,0,6,18,2,0,4,26,26,6.42,11.159,0,-1.0,0.0,-,0.474,-,0.474,https://www.genome.jp/dbget-bin/www_bget?dr:D08599
4010,D02285, Tiludronate disodium (USAN), Bisphosphonates,M05BA05,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)Sc1ccc(cc1)Cl,318.608,2.0711,65.1472,159.98,12,4,7,DKJJVAGXPKPDRL-UHFFFAOYSA-N,C7H9ClO6P2S,Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",-8.6076,-8.6025,-8.5878,-8.5858,-8.4304,-8.3988,3.5185,4.0963,4.1042,4.1149,4.1257,D02285_M05BA05,208003000000000000000200000000200040010000000010000020000022000009000000000084040001040d000100800000000000000000000000002800000400000000001000000000020804000002008800200000000040080000000000000004000000000000000000180000200003021000000042000003840000900000,0000000000b101,000008000000000000000000000000000000000000040000000000001004000000000200402800,00000010008410841000c10160860008a60c0a401e,0,6,18,2,0,4,26,26,6.435,11.177,0,-1.0,0.0,-,0.474,-,0.474,https://www.genome.jp/dbget-bin/www_bget?dr:D02285
4011,D08056, Ibandronic acid (INN), Bisphosphonates,M05BA06,MUSCULO-SKELETAL SYSTEM,P(=O)(O)(O)C(P(=O)(O)O)(CC[N@@H+](CCCCC)C)O,320.237,-0.9171,72.7047,159.35,27,6,7,MPBVHIBUJCELCL-UHFFFAOYSA-O,C9H24NO7P2+,CCCCC[NH+](CCC(P(=O)(O)O)(P(=O)(O)O)O)C,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/p+1",-8.6272,-8.6033,-8.5755,-8.5578,-8.4399,-8.4284,3.5167,4.0774,4.0871,4.1052,4.1201,D08056_M05BA06,05b200010000001000000400000804200040011000000000000000000102000010001000800040010000501500000000010200000000800000002000280000000800080000000004000006000200000000000140000020008000000000000000000000200000000000000080000000000104000000005000000a040100100000,0100000c00e000,030040020400000000000000000000000000000000000000000000001004000000000000c02a04,000000100084310090003217a9ca2e8a8f0e5ef509,0,0,40,2,0,9,43,42,3.9160000000000004,7.336,1,0.0,,-,0.6568,-,0.6568,https://www.genome.jp/dbget-bin/www_bget?dr:D08056
4012,D04486, Ibandronate sodium (USAN), Bisphosphonates,M05BA06,MUSCULO-SKELETAL SYSTEM,P(=O)(O)(O)C(P(=O)(O)O)(CC[N@@H+](CCCCC)C)O,320.237,-0.9171,72.7047,159.35,27,6,7,MPBVHIBUJCELCL-UHFFFAOYSA-O,C9H24NO7P2+,CCCCC[NH+](CCC(P(=O)(O)O)(P(=O)(O)O)O)C,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/p+1",-8.6626,-8.6509,-8.6239,-8.5869,-8.3789,-8.375,3.4839,4.0746,4.0775,4.099,4.1022,D04486_M05BA06,05b200010000001000000400000804200040011000000000000000000102000010001000800040010000501500000000010200000000800000002000280000000800080000000004000006000200000000000140000020008000000000000000000000200000000000000080000000000104000000005000000a040100100000,0100000c00e000,030040020400000000000000000000000000000000000000000000001004000000000000c02a04,000000100084310090003217a9ca2e8a8f0e5ef509,0,0,40,2,0,9,43,42,3.9139999999999997,7.334,1,0.0,,-,0.6568,-,0.6568,https://www.genome.jp/dbget-bin/www_bget?dr:D04486
4013,D08484, Risedronic acid (INN), Bisphosphonates,M05BA07,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cc1cnccc1)O,283.112,-0.3744,57.184,167.8,15,5,8,IIDJRNMFWXDHID-UHFFFAOYSA-N,C7H11NO7P2,OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",-8.6103,-8.5766,-8.5735,-8.5704,-8.4279,-8.4167,3.5180000000000002,4.0729,4.0865,4.0874,4.1038,D08484_M05BA07,158400000000c010020002000000442000400100000000080000000003320400100040000000c0210080500d00000040000000000004202004000002280000180c000c0000000400000002000008000000000040040000004000080000004000000000000020000000000000405004001102000000414000004a04000a120000,0000000c00b001,020000000000000000000000000000000000000000009000000000001004000000000600402800,000000100084300091000003a28200098e0d0a541f,0,6,20,2,0,4,28,28,7.15,11.799000000000001,0,1.0,0.0,-,0.3695,-,0.3695,https://www.genome.jp/dbget-bin/www_bget?dr:D08484
4014,D00942, Risedronate sodium (USP), Bisphosphonates,M05BA07,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cc1cnccc1)O,283.112,-0.3744,57.184,167.8,15,5,8,IIDJRNMFWXDHID-UHFFFAOYSA-N,C7H11NO7P2,OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",-8.6093,-8.5862,-8.4244,-8.3853,-8.1592,-7.975,3.6662,4.0726,4.0818,4.0885,4.1145,D00942_M05BA07,158400000000c010020002000000442000400100000000080000000003320400100040000000c0210080500d00000040000000000004202004000002280000180c000c0000000400000002000008000000000040040000004000080000004000000000000020000000000000405004001102000000414000004a04000a120000,0000000c00b001,020000000000000000000000000000000000000000009000000000001004000000000600402800,000000100084300091000003a28200098e0d0a541f,0,6,20,2,0,4,28,28,7.149,11.799000000000001,0,1.0,0.0,-,0.3695,-,0.3695,https://www.genome.jp/dbget-bin/www_bget?dr:D00942
4015,D03234, Sodium risedronate hydrate (JP17), Bisphosphonates,M05BA07,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cc1cnccc1)O,283.112,-0.3744,57.184,167.8,15,5,8,IIDJRNMFWXDHID-UHFFFAOYSA-N,C7H11NO7P2,OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",-8.6053,-8.5837,-8.5731,-8.5672,-8.4346,-8.4067,3.5154,4.0753,4.0858,4.0982,4.1075,D03234_M05BA07,158400000000c010020002000000442000400100000000080000000003320400100040000000c0210080500d00000040000000000004202004000002280000180c000c0000000400000002000008000000000040040000004000080000004000000000000020000000000000405004001102000000414000004a04000a120000,0000000c00b001,020000000000000000000000000000000000000000009000000000001004000000000600402800,000000100084300091000003a28200098e0d0a541f,0,6,20,2,0,4,28,28,7.152,11.802999999999999,0,,0.0,-,0.3695,-,0.3695,https://www.genome.jp/dbget-bin/www_bget?dr:D03234
4016,D08689, Zoledronic acid (INN), Bisphosphonates,M05BA08,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cn1cncc1)O,272.09,-1.1154,51.47,172.73,14,5,9,XRASPMIURGNCCH-UHFFFAOYSA-N,C5H10N2O7P2,OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",-8.6229,-8.5936,-8.5707,-8.5684,-8.4299,-8.408999999999999,3.513,4.0723,4.086,4.087,4.1075,D08689_M05BA08,058000000000086000004600000008203040010000000000000000000002000000000004000080230000501500000080000000240000600000000000280000000c800c0080000000000002000010000000000040088000308000000000010000000000000000000000040000c0000c000104000000004080000a040002100000,0000000c00b001,000000000000000000000000000000000000000000009800000000001004000000000600403800,0000001000843000915414c3a982800b8e2d0a751b,0,5,19,2,0,4,26,26,6.939,13.552,0,1.0,,+,0.5409,-,0.5409,https://www.genome.jp/dbget-bin/www_bget?dr:D08689
4017,D01968, Zoledronic acid (USAN), Bisphosphonates,M05BA08,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cn1cncc1)O,272.09,-1.1154,51.47,172.73,14,5,9,XRASPMIURGNCCH-UHFFFAOYSA-N,C5H10N2O7P2,OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",-8.6538,-8.5917,-8.5861,-8.585,-8.384,-8.3749,3.4995,4.0774,4.093,4.0949,4.103,D01968_M05BA08,058000000000086000004600000008203040010000000000000000000002000000000004000080230000501500000080000000240000600000000000280000000c800c0080000000000002000010000000000040088000308000000000010000000000000000000000040000c0000c000104000000004080000a040002100000,0000000c00b001,000000000000000000000000000000000000000000009800000000001004000000000600403800,0000001000843000915414c3a982800b8e2d0a751b,0,5,19,2,0,4,26,26,6.937,13.557,0,0.0,,+,0.5409,-,0.5409,https://www.genome.jp/dbget-bin/www_bget?dr:D01968
4018,D06378, Zoledronate disodium (USAN), Bisphosphonates,M05BA08,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cn1cncc1)O,272.09,-1.1154,51.47,172.73,14,5,9,XRASPMIURGNCCH-UHFFFAOYSA-N,C5H10N2O7P2,OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",-8.5576,-8.53,-8.3977,-8.3842,-8.1861,-7.9751,3.7045,4.0584,4.1015,4.1132,4.1187,D06378_M05BA08,058000000000086000004600000008203040010000000000000000000002000000000004000080230000501500000080000000240000600000000000280000000c800c0080000000000002000010000000000040088000308000000000010000000000000000000000040000c0000c000104000000004080000a040002100000,0000000c00b001,000000000000000000000000000000000000000000009800000000001004000000000600403800,0000001000843000915414c3a982800b8e2d0a751b,0,5,19,2,0,4,26,26,6.935,13.557,0,0.0,,+,0.5409,-,0.5409,https://www.genome.jp/dbget-bin/www_bget?dr:D06378
4019,D06379, Zoledronate trisodium (USAN), Bisphosphonates,M05BA08,MUSCULO-SKELETAL SYSTEM,C(P(=O)(O)O)(P(=O)(O)O)(Cn1cncc1)O,272.09,-1.1154,51.47,172.73,14,5,9,XRASPMIURGNCCH-UHFFFAOYSA-N,C5H10N2O7P2,OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",-8.6176,-8.6104,-8.6031,-8.5859,-8.3881,-8.3517,3.5159,4.077,4.0939,4.1003,4.1234,D06379_M05BA08,058000000000086000004600000008203040010000000000000000000002000000000004000080230000501500000080000000240000600000000000280000000c800c0080000000000002000010000000000040088000308000000000010000000000000000000000040000c0000c000104000000004080000a040002100000,0000000c00b001,000000000000000000000000000000000000000000009800000000001004000000000600403800,0000001000843000915414c3a982800b8e2d0a751b,0,5,19,2,0,4,26,26,6.935,13.542,0,-2.0,,+,0.5409,-,0.5409,https://www.genome.jp/dbget-bin/www_bget?dr:D06379
4020,D01338, Ipriflavone (JP17/INN), Other drugs affecting bone structure and mineralization,M05BX01,MUSCULO-SKELETAL SYSTEM,c1(=O)c(coc2c1ccc(c2)OC(C)C)c1ccccc1,280.318,4.2472,84.02600000000001,39.44,18,0,3,SFBODOKJTYAUCM-UHFFFAOYSA-N,C18H16O3,CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,"InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3",-3.1424,-1.0202,-0.5062,-0.49,-0.4347,-0.4062,0.358,0.373,0.395,0.4153,0.4402,D01338_M05BX01,000000000000200000088203006200004000900811000000004000800000000810005800000020100800000a00000000010882000000400c400000020000020008000800010000018802200002848040008010402000000040080040004008020402004000000002200100800312000000022100080108200810200040200004,00000000503001,01000200000000000000000000000000400100000000a100000000000000000000004640402000,0000000000000021000200011201016000c1b3d21e,0,17,21,1,0,3,37,39,-9.236,-0.363,0,,0.671280324,+,0.5506,-,0.5506,https://www.genome.jp/dbget-bin/www_bget?dr:D01338
4021,D08468, Strontium ranelate, Other drugs affecting bone structure and mineralization,M05BX03,MUSCULO-SKELETAL SYSTEM,c1(c(c(c(s1)N(CC(=O)O)CC(=O)O)C#N)CC(=O)O)C(=O)O,342.281,-0.07932,74.9027,204.47,16,4,11,DJSXNILVACEBLP-UHFFFAOYSA-N,C12H10N2O8S,N#Cc1c(sc(c1CC(=O)O)C(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",-5.556,-5.3913,-4.5714,-4.5668,-4.5524,-4.4225,2.3818,2.3966,2.4128,2.6532,2.6729,D08468_M05BX03,000ae100007002c002080e4040000000cc9404a00000010880030404814004021440401080451063c10a804800301005114000410000a22898000002100045190800080800346200038020009a800003803c0240042220001200880000216000500114108001180040c00000c004100000064884041900410008000462400100,0400000c00b033,02000000000000000000880000000000100100000000c0000000000000000000000006c0403800,00000000084100000080b5c488000006dcaf2a7f1b,0,5,23,4,1,8,33,33,3.5869999999999997,11.665,0,-1.0,7.7819e-29,-,2.4138,-,2.4138,https://www.genome.jp/dbget-bin/www_bget?dr:D08468
4022,D08267, Hydroquinine, Quinine and derivatives,M09AA01,MUSCULO-SKELETAL SYSTEM,c1(ccc2c(c1)c(ccn2)[C@H]([C@H]1[N@H+]2C[C@@H]([C@H](CC2)C1)CC)O)OC,327.441,3.5493,101.17200000000001,46.79,30,2,3,LJOQGZACKSYWCH-FOEVPDMQSA-O,C20H27N2O2+,CCC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0499,-4.5672,-4.5652,-4.4533,-2.8985,-2.2449,1.4815,1.5336,1.5589,1.5677,1.9438,D08267_M09AA01,202600000000064002000600020200040000001000005200000000800020000010005081000080233880201800010040010202000020600000000002000000100c000c00410008010000e000060800980080015004003008c0080800800940000000002000000c0200c0000080100c00000601400a4110200808000102000000,0100002c50f001,07284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000000002100010032569a49abe30567ddfd1f,0,11,43,0,0,4,51,54,-11.56,-3.804,5,-1.0,0.022947019,-,1.0847,-,1.0847,https://www.genome.jp/dbget-bin/www_bget?dr:D08267
4023,D08265, Hydroquinine hydrobromide, Quinine and derivatives,M09AA01,MUSCULO-SKELETAL SYSTEM,c1(ccc2c(c1)c(ccn2)[C@H]([C@H]1[N@H+]2C[C@@H]([C@H](CC2)C1)CC)O)OC,327.441,3.5493,101.17200000000001,46.79,30,2,3,LJOQGZACKSYWCH-FOEVPDMQSA-O,C20H27N2O2+,CCC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0267,-4.5798,-4.5712,-4.521,-2.9014,-2.2546,1.5492,1.56,1.5666,1.6473,1.9577,D08265_M09AA01,202600000000064002000600020200040000001000005200000000800020000010005081000080233880201800010040010202000020600000000002000000100c000c00410008010000e000060800980080015004003008c0080800800940000000002000000c0200c0000080100c00000601400a4110200808000102000000,0100002c50f001,07284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000000002100010032569a49abe30567ddfd1f,0,11,43,0,0,4,51,54,-11.559000000000001,-3.806,5,2.0,0.02295666,-,1.0847,-,1.0847,https://www.genome.jp/dbget-bin/www_bget?dr:D08265
4024,D09323, Ataluren (USAN/INN), Other drugs for disorders of the musculo-skeletal system,M09AX03,MUSCULO-SKELETAL SYSTEM,c1(noc(n1)c1ccccc1F)c1cc(ccc1)C(=O)O,284.242,3.2409,72.0873,76.22,12,1,5,OOUGLTULBSNHNF-UHFFFAOYSA-N,C15H9FN2O3,Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O,"InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)",-4.3984,-4.2584,-2.7257,-2.6264,-2.0324,-1.3303,0.8419,1.0343,1.3438,1.4615,2.3084,D09323_M09AX03,08020060000900c00080220006000221011040112000000000000080000000002410400000020030200a82080800a004000000400000000000200002000202000e000c084000020080100800008000028088004000e0000050080000000100004000084008080001104018100100020000020106050718000808000400800014,0400000c00b003,00000000000000000000880000000000000100000008b000000000000000000000000640402800,0000000020020021415044e82124900d20a5235a1f,1,17,14,1,0,3,30,32,-4.736000000000001,1.057,0,0.0,0.000169877,+,6.3761,-,6.3761,https://www.genome.jp/dbget-bin/www_bget?dr:D09323
4025,D01772, Ether (JP17/USP), Ethers,N01AA01,NERVOUS SYSTEM,CCOCC,74.1216,1.0428,22.427,9.23,11,0,1,RTZKZFJDLAIYFH-UHFFFAOYSA-N,C4H10O,CCOCC,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",-1.5839,-1.5838,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D01772_N01AA01,0000000000000000000000000002000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000302000,018000000000000000000000000000000000000000000000000000000000000000000000402000,00000000000000000000200000100a200002109508,0,0,14,0,0,2,15,14,-10.425,2.7089999999999996,0,0.0,,+,0.4972,+,0.4972,https://www.genome.jp/dbget-bin/www_bget?dr:D01772
4026,D00542, Halothane (JP17/USP/INN), Halogenated hydrocarbons,N01AB01,NERVOUS SYSTEM,C([C@@H](Cl)Br)(F)(F)F,197.382,2.5085,24.585,0.0,1,0,0,BCQZXOMGPXTTIC-PVQJCKRUSA-N,C2HBrClF3,ClC(C(F)(F)F)Br,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m1/s1",-3.6954,-3.6832,-3.6829,-1.5467,-1.218,-1.1745,0.4551,0.4606,0.7626,0.7629,0.7668,D00542_N01AB01,0002020008000000000000000000000000000090000000000000000800000000000000000000000000010000001000000000000000000000000000000000000000000000000000000000000000010800000000400000000000000000000000000000000000000000000000000000000000000000000010000080000000001000,00000000002000,800300000000000000000000000000000000000000000000000000000000000000000000202004,000000000022000000000000408600002000000000,3,0,7,0,0,1,8,7,-11.658,-0.775,1,-1.0,0.019329835,+,1.6414,+,1.6414,https://www.genome.jp/dbget-bin/www_bget?dr:D00542
4027,D00543, Enflurane (JP17/USP/INN), Halogenated hydrocarbons,N01AB04,NERVOUS SYSTEM,C([C@@H](F)Cl)(OC(F)F)(F)F,184.49200000000002,2.3528,22.709,9.23,3,0,1,JPGQOUSTVILISH-PVQJCKRUSA-N,C3H2ClF5O,FC(OC(C(Cl)F)(F)F)F,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H/t1-/m1/s1",-5.5133,-5.4757,-3.4817,-3.4645,-3.4635,-3.4629,1.2223,1.2276,1.2399,2.3632,5.6779,D00543_N01AB04,00061200000000000000000000020002000200d00000000000000048000000000000c0000000000000010000000000000000000000009000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000000000000200000000000010000000000000001800,00000000302000,800100000000006000000000000000000000000000000000000000000000000000000000402004,000000000002000000000000408600202000001008,5,0,11,0,0,3,12,11,-12.212,-0.228,1,,,+,2.6984,+,2.6984,https://www.genome.jp/dbget-bin/www_bget?dr:D00543
4028,D00545, Isoflurane (JP17/USP/INN), Halogenated hydrocarbons,N01AB06,NERVOUS SYSTEM,C([C@@H](OC(F)F)Cl)(F)(F)F,184.49200000000002,2.3528,22.709,9.23,3,0,1,PIWKPBJCKXDKJR-PVQJCKRUSA-N,C3H2ClF5O,FC(OC(C(F)(F)F)Cl)F,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1",-5.4879999999999995,-3.6945,-3.6884,-3.6812,-3.4899,-3.4752,0.9486,1.2202,1.2262,3.333,4.6878,D00545_N01AB06,00061200000000000000000000020002000000d0000000000000002800000000000040000002000000010000000000000000000000001000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000040000000000000000000000010000000000000001000,00000000302000,800100000000006000000000000000000000000000000000000000000000000000000000602004,000000000002000000000000408600202000001008,5,0,11,0,0,3,12,11,-12.235999999999999,-0.281,1,-1.0,,+,2.7189,+,2.7189,https://www.genome.jp/dbget-bin/www_bget?dr:D00545
4029,D00546, Desflurane (JAN/USP/INN), Halogenated hydrocarbons,N01AB07,NERVOUS SYSTEM,C([C@@H](OC(F)F)F)(F)(F)F,168.03799999999998,2.0835,17.964000000000002,9.23,3,0,1,DPYMFVXJLLWWEU-PVQJCKRUSA-N,C3H2F6O,FC(OC(C(F)(F)F)F)F,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1",-5.4905,-3.6955,-3.6913,-3.6855,-3.5131,-3.4845,1.2245,1.2295,1.2342,3.6598,4.7136,D00546_N01AB07,00061000000000000000000000020002000000d00000000000000000000000000000c0000000000000000000000000000000000000009000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000000000000000000000000010000000000000000000,00000000302000,000100000000006000000000000000000000000000000000000000000000000000000000602004,000000000002000000000000008600202000001008,6,0,11,0,0,3,12,11,-12.56,0.057,1,1.0,,+,2.9387,+,2.9387,https://www.genome.jp/dbget-bin/www_bget?dr:D00546
4030,D00547, Sevoflurane (JP17/USAN/INN), Halogenated hydrocarbons,N01AB08,NERVOUS SYSTEM,C(C(F)(F)F)(C(F)(F)F)OCF,200.055,2.4232,22.86,9.23,4,0,1,DFEYYRMXOJXZRJ-UHFFFAOYSA-N,C4H3F7O,FCOC(C(F)(F)F)C(F)(F)F,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",-3.7060000000000004,-3.7053,-3.6994,-3.6929,-3.6806,-3.6797,1.224,2.4509,2.7158,2.7168,2.9989,D00547_N01AB08,00061000000000000000000000020002000000d0000100000000000000000000100050000000000000000000000000000000000000001000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000000000000000000000000010000000000000000000,00000000302000,008100000000006000000000000000000000000000000000000000000000000000000000602000,000000080002000000000000009600202000801508,7,0,14,0,0,4,15,14,-11.879000000000001,0.132,0,,,-,2.1215,-,2.1215,https://www.genome.jp/dbget-bin/www_bget?dr:D00547
4031,D04985, Methohexital (USP/INN)," Barbiturates, plain",N01AF01,NERVOUS SYSTEM,[C@]1(C(=O)N(C(=O)NC1=O)C)([C@@H](C#CCC)C)CC=C,262.30400000000003,1.5733,79.2427,66.48,23,1,5,NZXKDOXHBHYTKP-QMTHXVAHSA-N,C14H18N2O3,CCC#CC(C1(CC=C)C(=O)NC(=O)N(C1=O)C)C,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)/t10-,14-/m1/s1",-4.605,-3.7953,-3.7859,-3.57,-3.0249,-2.9433,1.791,1.7963,1.8171,1.8449,2.3146,D04985_N01AF01,0002000000080804110204810000000000000090000020000088000000200100180000000008000000060d1008010200010000001000000201000000004000040000000000040000000000000090000d0810004080002000a00110000001001000240000040020000000000000214000000c0000002010000010000100020000,0400000000a041,3f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000100120000000294101b07aa9a4380717aee1d,0,0,32,4,1,3,37,37,-10.247,-0.377,2,2.0,0.12728025,-,0.7579,-,0.7579,https://www.genome.jp/dbget-bin/www_bget?dr:D04985
4032,D04985, Methohexital (USP/INN)," Barbiturates, plain",N05CA15,NERVOUS SYSTEM,[C@]1(C(=O)N(C(=O)NC1=O)C)([C@@H](C#CCC)C)CC=C,262.30400000000003,1.5733,79.2427,66.48,23,1,5,NZXKDOXHBHYTKP-QMTHXVAHSA-N,C14H18N2O3,CCC#CC(C1(CC=C)C(=O)NC(=O)N(C1=O)C)C,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)/t10-,14-/m1/s1",-4.6038,-3.7862,-3.7817,-3.5802,-3.0275,-2.9452,1.7926,1.8016,1.8237,1.8402,2.3169,D04985_N05CA15,0002000000080804110204810000000000000090000020000088000000200100180000000008000000060d1008010200010000001000000201000000004000040000000000040000000000000090000d0810004080002000a00110000001001000240000040020000000000000214000000c0000002010000010000100020000,0400000000a041,3f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000100120000000294101b07aa9a4380717aee1d,0,0,32,4,1,3,37,37,-10.247,-0.377,2,2.0,0.12728025,-,0.7579,-,0.7579,https://www.genome.jp/dbget-bin/www_bget?dr:D04985
4033,D00712, Methohexital sodium (USP)," Barbiturates, plain",N01AF01,NERVOUS SYSTEM,[C@]1(C(=O)N(C(=[NH]C1=O)O)C)([C@H](C#CCC)C)CC=C,263.312,1.0987,81.4825,81.46,23,2,4,WSGPPAQSSUSYDX-IINYFYTJSA-N,C14H19N2O3,CCC#CC(C1(CC=C)C(=O)[NH]=C(N(C1=O)C)O)C,"InChI=1S/C14H19N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10,15,19H,2,5,9H2,1,3-4H3/t10-,14+/m0/s1",-6.7425,-6.472,-6.4298,-6.2826,-5.996,-5.9670000000000005,2.7994,2.8924,3.1307,4.5392,4.5482,D00712_N01AF01,000240001808008c110004911000000a000000900010614000880000004000003020000200880000c006003208200100011008001000100218000000004800040800118000040000080000004080000c091000409000201082011200000300100004000000002100008000000021400000040000002010000000000140020000,0400000c00a001,3f0000000000000000008000000000000040000000000000000000000000000000000440403804,000001001204000002b4101b07aada4384757afe1d,0,0,33,4,1,3,38,38,-10.265999999999998,-0.34600000000000003,2,,0.0013006839999999999,-,0.5662,-,0.5662,https://www.genome.jp/dbget-bin/www_bget?dr:D00712
4034,D00712, Methohexital sodium (USP)," Barbiturates, plain",N05CA15,NERVOUS SYSTEM,[C@]1(C(=O)N(C(=[NH]C1=O)O)C)([C@H](C#CCC)C)CC=C,263.312,1.0987,81.4825,81.46,23,2,4,WSGPPAQSSUSYDX-IINYFYTJSA-N,C14H19N2O3,CCC#CC(C1(CC=C)C(=O)[NH]=C(N(C1=O)C)O)C,"InChI=1S/C14H19N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10,15,19H,2,5,9H2,1,3-4H3/t10-,14+/m0/s1",-6.7427,-6.471,-6.4322,-6.281000000000001,-5.996,-5.9675,2.7983,2.895,3.1308,4.539,4.5489,D00712_N05CA15,000240001808008c110004911000000a000000900010614000880000004000003020000200880000c006003208200100011008001000100218000000004800040800118000040000080000004080000c091000409000201082011200000300100004000000002100008000000021400000040000002010000000000140020000,0400000c00a001,3f0000000000000000008000000000000040000000000000000000000000000000000440403804,000001001204000002b4101b07aada4384757afe1d,0,0,33,4,1,3,38,38,-10.265999999999998,-0.34600000000000003,2,,0.0013006839999999999,-,0.5662,-,0.5662,https://www.genome.jp/dbget-bin/www_bget?dr:D00712
4035,D01071, Hexobarbital (JAN/INN)," Barbiturates, plain",N01AF02,NERVOUS SYSTEM,C1CCC=C(C1)[C@]1(C(=O)NC(=O)N(C1=O)C)C,236.267,1.4680000000000002,69.3527,66.48,21,1,5,UYXAWHWODHRRMR-LBPRGKRZSA-N,C12H16N2O3,O=C1NC(=O)C(C(=O)N1C)(C)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1",-4.6064,-3.7925,-3.7798,-3.5811,-3.0316,-2.9474,1.797,1.8027,1.8176,1.8218,2.3112,D01071_N01AF02,0002000000000a04110604000000000000000090004040000000000000202100180010000080000010060d1000010200010000001020004061000000000000000000000000040000000000000890020d0010014100002000a00110004001000002240000440008000000000000000000000c0000000090000010000900000100,0400000000a041,1b0000000000000000008000000000000040040000000000000000000000000000000400402804,0000000010000220029c101d07aab8c381617fea1d,0,0,30,4,0,1,33,34,-9.93,-0.303,1,1.0,0.054325905,-,1.1187,-,1.1187,https://www.genome.jp/dbget-bin/www_bget?dr:D01071
4036,D01071, Hexobarbital (JAN/INN)," Barbiturates, plain",N05CA16,NERVOUS SYSTEM,C1CCC=C(C1)[C@]1(C(=O)NC(=O)N(C1=O)C)C,236.267,1.4680000000000002,69.3527,66.48,21,1,5,UYXAWHWODHRRMR-LBPRGKRZSA-N,C12H16N2O3,O=C1NC(=O)C(C(=O)N1C)(C)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1",-4.6064,-3.7925,-3.7798,-3.5811,-3.0316,-2.9474,1.797,1.8027,1.8176,1.8218,2.3112,D01071_N05CA16,0002000000000a04110604000000000000000090004040000000000000202100180010000080000010060d1000010200010000001020004061000000000000000000000000040000000000000890020d0010014100002000a00110004001000002240000440008000000000000000000000c0000000090000010000900000100,0400000000a041,1b0000000000000000008000000000000040040000000000000000000000000000000400402804,0000000010000220029c101d07aab8c381617fea1d,0,0,30,4,0,1,33,34,-9.93,-0.303,1,1.0,0.054325905,-,1.1187,-,1.1187,https://www.genome.jp/dbget-bin/www_bget?dr:D01071
4037,D00714, Thiopental sodium (JP17/USP/INN)," Barbiturates, plain",N01AF03,NERVOUS SYSTEM,[C@@]1(C(=O)NC(=[NH]C1=O)S)([C@@H](CCC)C)CC,243.34599999999998,1.7398,75.6364,108.82,23,3,4,GQNJPSGCYWNAEI-HQJQHLMTSA-N,C11H19N2O2S,CCCC(C1(CC)C(=O)NC(=[NH]C1=O)S)C,"InChI=1S/C11H19N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t7-,11+/m1/s1",-6.3772,-6.3659,-6.2643,-6.1905,-6.0203,-5.9946,2.7681,2.7728,3.0031,4.4648,4.4917,D00714_N01AF03,0002018008000284110004101000000a000000900010414000000000000000803020100201800000100600320020090001000000102010000002000030080000000011000000000008000c000ea0000c001001401000209082811000000300000000000000000300000000000000000000041000004010000000000140000100,0400000000a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000000044108002b0810f03aafec1857174ee1d,0,0,32,3,0,4,35,35,-13.994000000000002,-12.705,1,,0.00018998799999999998,-,1.0366,-,1.0366,https://www.genome.jp/dbget-bin/www_bget?dr:D00714
4038,D00714, Thiopental sodium (JP17/USP/INN)," Barbiturates, plain",N05CA19,NERVOUS SYSTEM,[C@@]1(C(=O)NC(=[NH]C1=O)S)([C@@H](CCC)C)CC,243.34599999999998,1.7398,75.6364,108.82,23,3,4,GQNJPSGCYWNAEI-HQJQHLMTSA-N,C11H19N2O2S,CCCC(C1(CC)C(=O)NC(=[NH]C1=O)S)C,"InChI=1S/C11H19N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t7-,11+/m1/s1",-6.3817,-6.3725,-6.2561,-6.2161,-6.017,-6.0128,2.775,2.7759,3.0036,4.4806,4.4854,D00714_N05CA19,0002018008000284110004101000000a000000900010414000000000000000803020100201800000100600320020090001000000102010000002000030080000000011000000000008000c000ea0000c001001401000209082811000000300000000000000000300000000000000000000041000004010000000000140000100,0400000000a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000000044108002b0810f03aafec1857174ee1d,0,0,32,3,0,4,35,35,-13.994000000000002,-12.705,1,,0.00018998799999999998,-,1.0366,-,1.0366,https://www.genome.jp/dbget-bin/www_bget?dr:D00714
4039,D00320, Fentanyl (JAN/USAN/INN), Opioid anesthetics,N01AH01,NERVOUS SYSTEM,N([C@@H]1CC[N@@H+](CC1)CCc1ccccc1)(c1ccccc1)C(=O)CC,337.478,4.2888,109.45200000000001,24.75,31,1,2,PJMPHNIQZUBGLI-UHFFFAOYSA-O,C22H29N2O+,CCC(=O)N(c1ccccc1)C1CC[NH+](CC1)CCc1ccccc1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1",-6.0381,-4.5784,-4.561,-4.5128,-3.7193,-2.7578,1.5582,1.5686,1.5739,1.6774,1.7978,D00320_N01AH01,00260000000000001300060000800004800000100000000000000080000000001800508100200020000628180000106001020000000000080000000200000400000000004000020000001000028000000090015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102400000,0500000000f001,030040020400000000008000120000000000000000000000000000000000000000000600c02a05,00000000000001000084320c8a60328359234daf1f,0,12,43,1,0,7,54,56,-12.365,-3.825,0,1.0,0.063495465,+,1.1102,-,1.1102,https://www.genome.jp/dbget-bin/www_bget?dr:D00320
4040,D00320, Fentanyl (JAN/USAN/INN), Phenylpiperidine derivatives,N02AB03,NERVOUS SYSTEM,N([C@@H]1CC[N@@H+](CC1)CCc1ccccc1)(c1ccccc1)C(=O)CC,337.478,4.2888,109.45200000000001,24.75,31,1,2,PJMPHNIQZUBGLI-UHFFFAOYSA-O,C22H29N2O+,CCC(=O)N(c1ccccc1)C1CC[NH+](CC1)CCc1ccccc1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1",-6.0378,-4.598,-4.5665,-4.4878,-3.8318,-2.7576,1.5607,1.5764,1.5882,1.6896,1.7519999999999998,D00320_N02AB03,00260000000000001300060000800004800000100000000000000080000000001800508100200020000628180000106001020000000000080000000200000400000000004000020000001000028000000090015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102400000,0500000000f001,030040020400000000008000120000000000000000000000000000000000000000000600c02a05,00000000000001000084320c8a60328359234daf1f,0,12,43,1,0,7,54,56,-12.365,-3.825,0,1.0,0.063495465,+,1.1102,-,1.1102,https://www.genome.jp/dbget-bin/www_bget?dr:D00320
4041,D01399, Fentanyl citrate (JP17/USP), Opioid anesthetics,N01AH01,NERVOUS SYSTEM,N([C@@H]1CC[N@@H+](CC1)CCc1ccccc1)(c1ccccc1)C(=O)CC,337.478,4.2888,109.45200000000001,24.75,31,1,2,PJMPHNIQZUBGLI-UHFFFAOYSA-O,C22H29N2O+,CCC(=O)N(c1ccccc1)C1CC[NH+](CC1)CCc1ccccc1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1",-6.0329999999999995,-4.5826,-4.5708,-4.4777,-3.8316,-2.7357,1.5574,1.5776,1.589,1.6169,1.686,D01399_N01AH01,00260000000000001300060000800004800000100000000000000080000000001800508100200020000628180000106001020000000000080000000200000400000000004000020000001000028000000090015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102400000,0500000000f001,030040020400000000008000120000000000000000000000000000000000000000000600c02a05,00000000000001000084320c8a60328359234daf1f,0,12,43,1,0,7,54,56,-12.355,-3.826,0,0.0,0.063491225,+,1.1102,-,1.1102,https://www.genome.jp/dbget-bin/www_bget?dr:D01399
4042,D01399, Fentanyl citrate (JP17/USP), Phenylpiperidine derivatives,N02AB03,NERVOUS SYSTEM,N([C@@H]1CC[N@@H+](CC1)CCc1ccccc1)(c1ccccc1)C(=O)CC,337.478,4.2888,109.45200000000001,24.75,31,1,2,PJMPHNIQZUBGLI-UHFFFAOYSA-O,C22H29N2O+,CCC(=O)N(c1ccccc1)C1CC[NH+](CC1)CCc1ccccc1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1",-6.0297,-4.5876,-4.5426,-4.4785,-3.8684,-2.7605,1.5704,1.5804,1.5836,1.7035,1.7575,D01399_N02AB03,00260000000000001300060000800004800000100000000000000080000000001800508100200020000628180000106001020000000000080000000200000400000000004000020000001000028000000090015004002808e0090800800000000000002000000000000000000000002000060100000110000014000102400000,0500000000f001,030040020400000000008000120000000000000000000000000000000000000000000600c02a05,00000000000001000084320c8a60328359234daf1f,0,12,43,1,0,7,54,56,-12.355,-3.826,0,0.0,0.063491225,+,1.1102,-,1.1102,https://www.genome.jp/dbget-bin/www_bget?dr:D01399
4043,D07122, Alfentanil (INN), Opioid anesthetics,N01AH02,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCn1nnn(c1=O)CC)COC)C(=O)CC,417.525,1.536,120.39399999999999,86.69,39,1,8,IDBPHNDTYPBSNI-UHFFFAOYSA-O,C21H33N6O3+,COCC1(CC[NH+](CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3/p+1",-6.0253,-4.5874,-4.5403,-4.5232,-4.5114,-3.7859,1.5781,1.5864,1.5891,1.6857,1.7436,D07122_N01AH02,002a00080000008011000600008200088100001400028008040000000140041418003002812000330006083800001660010204000000c00800080000002004100c100800401e0a40000050000e8000000090015004002c00e0090000010020040000002000000008080000008000102000070100001010401854000102400000,0500000030f001,038040020400000000008000120000000040000000009900000000000000000000000640c03a05,000000001000090023d436fc8bfab7ebdbf37fff1f,0,11,52,2,0,10,63,65,-12.353,-3.741,0,1.0,0.0038052059999999998,+,1.5292,-,1.5292,https://www.genome.jp/dbget-bin/www_bget?dr:D07122
4044,D00835, Alfentanil hydrochloride (USP), Opioid anesthetics,N01AH02,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCn1nnn(c1=O)CC)COC)C(=O)CC,417.525,1.536,120.39399999999999,86.69,39,1,8,IDBPHNDTYPBSNI-UHFFFAOYSA-O,C21H33N6O3+,COCC1(CC[NH+](CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3/p+1",-6.0335,-4.7341,-4.6104,-4.5714,-4.5611,-3.7921,1.6449,1.6943,1.7077,1.7127,1.7642,D00835_N01AH02,002a00080000008011000600008200088100001400028008040000000140041418003002812000330006083800001660010204000000c00800080000002004100c100800401e0a40000050000e8000000090015004002c00e0090000010020040000002000000008080000008000102000070100001010401854000102400000,0500000030f001,038040020400000000008000120000000040000000009900000000000000000000000640c03a05,000000001000090023d436fc8bfab7ebdbf37fff1f,0,11,52,2,0,10,63,65,-12.34,-3.737,0,0.0,0.003806998,+,1.5292,-,1.5292,https://www.genome.jp/dbget-bin/www_bget?dr:D00835
4045,D05938, Sufentanil (USAN/INN), Opioid anesthetics,N01AH03,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCc1cccs1)COC)C(=O)CC,387.559,4.3669,118.066,62.22,34,1,4,GGCSSNBKKAUURC-UHFFFAOYSA-O,C22H31N2O2S+,COCC1(CC[NH+](CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3/p+1",-6.0382,-4.5947,-4.5671,-4.5663,-3.818,-2.7671,1.5989,1.6144,1.7005,1.7159,1.7462,D05938_N01AH03,002ec1000000001013000600008200048500001000028008000000040020000218005081002000338006285800081060050200000040400808000002000004100840080040300a020000100012a00000809001d004022c00e0094800800000000000002080000000000000008000102000070100001110000054000102400100,0500000030f001,03804002040000000000800012000000000000000000c000000000000000000000000600c02a05,00000000080001000284b7dc8af8b6a359235dff1f,0,11,48,1,0,9,58,60,-11.997,-3.409,0,0.0,0.004948348,+,0.8857,-,0.8857,https://www.genome.jp/dbget-bin/www_bget?dr:D05938
4046,D00845, Sufentanil citrate (USP), Opioid anesthetics,N01AH03,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCc1cccs1)COC)C(=O)CC,387.559,4.3669,118.066,62.22,34,1,4,GGCSSNBKKAUURC-UHFFFAOYSA-O,C22H31N2O2S+,COCC1(CC[NH+](CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3/p+1",-6.0306,-4.5968,-4.565,-4.5569,-3.8061,-2.7868,1.5936,1.6132,1.7011,1.7077,1.7464,D00845_N01AH03,002ec1000000001013000600008200048500001000028008000000040020000218005081002000338006285800081060050200000040400808000002000004100840080040300a020000100012a00000809001d004022c00e0094800800000000000002080000000000000008000102000070100001110000054000102400100,0500000030f001,03804002040000000000800012000000000000000000c000000000000000000000000600c02a05,00000000080001000284b7dc8af8b6a359235dff1f,0,11,48,1,0,9,58,60,-12.034,-3.4619999999999997,0,1.0,0.004766391,+,0.8857,-,0.8857,https://www.genome.jp/dbget-bin/www_bget?dr:D00845
4047,D02611, Phenoperidine (INN), Opioid anesthetics,N01AH04,NERVOUS SYSTEM,c1c(cccc1)[C@@]1(CC[N@@H+](CC1)CC[C@H](c1ccccc1)O)C(=O)OCC,368.48900000000003,3.8591,111.954,50.97,33,2,3,IPOPQVVNCFQFRK-OAQYLSRUSA-O,C23H30NO3+,CCOC(=O)C1(CC[NH+](CC1)CCC(c1ccccc1)O)c1ccccc1,"InChI=1S/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3/p+1/t21-/m1/s1",-6.0348,-4.6165,-4.5922,-4.4811,-4.3762,-3.0204,1.541,1.5561,1.5585,1.5756,1.5919999999999999,D02611_N01AH04,002e8000002000400a00060000020000000000100002000000000080010400001000500080000001200a001820010100010200000000c004000000020000020808100c000000044000000000028000050090015000003008c0080800000900004000002000000000004000004000100000070100000110000002000100000200,0500002c30f005,0b2840020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000001120020432068bd022a70d07cff71f,0,12,46,1,0,8,57,59,-12.3,-3.745,1,1.0,0.153408021,-,0.8913,-,0.8913,https://www.genome.jp/dbget-bin/www_bget?dr:D02611
4048,D02941, Anileridine (USP/INN), Opioid anesthetics,N01AH05,NERVOUS SYSTEM,c1c(cccc1)[C@@]1(CC[N@@H+](CC1)CCc1ccc(cc1)N)C(=O)OCC,353.478,4.1415,110.39,56.76,32,2,3,LKYQLAWMNBFNJT-UHFFFAOYSA-O,C22H29N2O2+,CCOC(=O)C1(CC[NH+](CC1)CCc1ccc(cc1)N)c1ccccc1,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3/p+1",-6.0326,-5.1061,-5.1058,-4.5976,-4.5958,-4.5291,1.5353,1.546,1.5586,1.5625,1.5719999999999998,D02941_N01AH05,002e8000002000000a00060000020004000000100002000000000080000400001000508100000021000a2018200101400102000000004004000000020000020808100c004000044000000000028000050090015004003008c008080080080000400000200000000000000000400010000007014000011000000a000102000200,0500000030f025,0b00400a0400000000009000000000000000000000000000000000000000000000000600c02204,000000000000012002043a048ad022a755234dff1f,0,12,44,1,0,7,55,57,-10.944,-3.503,0,1.0,0.101961039,+,0.7004,-,0.7004,https://www.genome.jp/dbget-bin/www_bget?dr:D02941
4049,D02942, Anileridine hydrochloride (USP), Opioid anesthetics,N01AH05,NERVOUS SYSTEM,c1c(cccc1)[C@@]1(CC[N@@H+](CC1)CCc1ccc(cc1)N)C(=O)OCC,353.478,4.1415,110.39,56.76,32,2,3,LKYQLAWMNBFNJT-UHFFFAOYSA-O,C22H29N2O2+,CCOC(=O)C1(CC[NH+](CC1)CCc1ccc(cc1)N)c1ccccc1,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3/p+1",-6.0332,-5.1063,-5.1054,-4.6117,-4.5789,-4.5126,1.5353,1.5364,1.5463,1.5593,1.5753,D02942_N01AH05,002e8000002000000a00060000020004000000100002000000000080000400001000508100000021000a2018200101400102000000004004000000020000020808100c004000044000000000028000050090015004003008c008080080080000400000200000000000000000400010000007014000011000000a000102000200,0500000030f025,0b00400a0400000000009000000000000000000000000000000000000000000000000600c02204,000000000000012002043a048ad022a755234dff1f,0,12,44,1,0,7,55,57,-10.940999999999999,-3.5010000000000003,0,0.0,0.10198988,+,0.7004,-,0.7004,https://www.genome.jp/dbget-bin/www_bget?dr:D02942
4050,D08473, Remifentanil (INN), Opioid anesthetics,N01AH06,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCC(=O)OC)C(=O)OC)C(=O)CC,377.455,2.1524,106.801,77.35,35,1,6,ZTVQQQVZCWLTDF-UHFFFAOYSA-O,C20H29N2O5+,COC(=O)C1(CC[NH+](CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3/p+1",-5.9704,-4.6182,-4.5826,-4.4830000000000005,-4.4814,-4.447,1.7,1.7272,1.7867,1.9223,2.1725,D08473_N01AH06,002a8000005000201100060000820000810000100002800880000000011000001800100080200033000e081800001060010200001000c00800000000000026100800080040100a80000010000280000e00b0015004002c00e0090000000000000000002000000000000000008000102000070100001110000054000102400200,0500000030f005,030040020400000000009000120000000000000000000000000000000000000000000600c02a05,00000000000001000284325c8be83aa7d93b5fff1f,0,6,48,3,0,10,56,57,-12.448,-4.15,0,-3.0,0.005109115,-,1.0478,-,1.0478,https://www.genome.jp/dbget-bin/www_bget?dr:D08473
4051,D01177, Remifentanil hydrochloride (JAN/USAN), Opioid anesthetics,N01AH06,NERVOUS SYSTEM,c1cccc(c1)N([C@@]1(CC[N@@H+](CC1)CCC(=O)OC)C(=O)OC)C(=O)CC,377.455,2.1524,106.801,77.35,35,1,6,ZTVQQQVZCWLTDF-UHFFFAOYSA-O,C20H29N2O5+,COC(=O)C1(CC[NH+](CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3/p+1",-5.962999999999999,-4.6142,-4.5925,-4.4809,-4.4555,-4.4373,1.6988,1.7361,1.8136,1.9492,2.1724,D01177_N01AH06,002a8000005000201100060000820000810000100002800880000000011000001800100080200033000e081800001060010200001000c00800000000000026100800080040100a80000010000280000e00b0015004002c00e0090000000000000000002000000000000000008000102000070100001110000054000102400200,0500000030f005,030040020400000000009000120000000000000000000000000000000000000000000600c02a05,00000000000001000284325c8be83aa7d93b5fff1f,0,6,48,3,0,10,56,57,-12.447000000000001,-4.151,0,0.0,0.0049399629999999995,-,1.0478,-,1.0478,https://www.genome.jp/dbget-bin/www_bget?dr:D01177
4052,D03852, Droperidol - fentanyl citrate mixt, Opioid anesthetics,N01AH51,NERVOUS SYSTEM,n1(c2c([nH]c1=O)cccc2)C1=CC[N@@H+](CC1)CCCC(=O)c1ccc(cc1)F,380.435,3.8305,113.12100000000001,59.3,25,2,3,RMEDXOLNCUSCGS-UHFFFAOYSA-O,C22H23FN3O2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(=CC1)n1c(=O)[nH]c2c1cccc2,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)/p+1",-6.0461,-5.861000000000001,-4.6574,-4.5939,-4.5432,-3.8744,1.7241,1.8355,1.8831,1.8945,1.9336,D03852_N01AH51,80268082000008c41284460000000004010004d000004800000000c000000000140170000180802130020238000100c00122100002006100c00100020008102004002c00c40030000010e50102910004009009400c82300dec0918800009301400044020000018009041000040000c000006010202111002008c008912004200,1500000000f001,020040020400010000000000000000000041040000088d00000000000000000000004640c02a05,000000001012012001dc76869e67b1c3bde3ed6f1f,1,16,35,3,0,6,51,54,-11.724,-3.9419999999999997,1,,0.065590225,-,1.5011,-,1.5011,https://www.genome.jp/dbget-bin/www_bget?dr:D03852
4053,D08098, Ketamine (INN), Other general anesthetics,N01AX03,NERVOUS SYSTEM,[C@]1(c2c(cccc2)Cl)(C(=O)CCCC1)[NH2+]C,238.733,1.8716,67.2884,33.68,18,1,1,YQEZLKZALYSWHR-ZDUSSCGKSA-O,C13H17ClNO+,C[NH2+]C1(CCCCC1=O)c1ccccc1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1/t13-/m0/s1",-5.9633,-5.7238,-5.6772,-4.4032,-2.9881,-2.3482,1.7848,1.9707,2.1361,2.1398,2.2035,D08098_N01AX03,0006020000600608020006000201000000000090000000000002008000200000100050000000000010830018000d0000010000000020000200000002000000800000000000000040000020000c88000780b8014000003008c0080800000820000010000200000000000000000000000000060100020110000000000100800100,1500000000f001,020040010400010000000000000000000000000000040000000000000000000000000200c02a05,000000000000012002004856c0cc28c039c0e5aa1f,0,6,27,1,0,2,33,34,-13.363,-4.322,1,1.0,0.001312381,-,0.4658,-,0.4658,https://www.genome.jp/dbget-bin/www_bget?dr:D08098
4054,D00711, Ketamine hydrochloride (JP17/USP), Other general anesthetics,N01AX03,NERVOUS SYSTEM,[C@@]1(c2c(cccc2)Cl)(C(=O)CCCC1)[NH2+]C,238.733,1.8716,67.2884,33.68,18,1,1,YQEZLKZALYSWHR-CYBMUJFWSA-O,C13H17ClNO+,C[NH2+]C1(CCCCC1=O)c1ccccc1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1/t13-/m1/s1",-5.9681,-5.6976,-5.6707,-4.4298,-2.9695,-2.3989,1.8136,1.9674,2.1745,2.2042,2.7878,D00711_N01AX03,0006020000600608020006000201000000000090000000000002008000200000100050000000000010830018000d0000010000000020000200000002000000800000000000000040000020000c88000780b8014000003008c0080800000820000010000200000000000000000000000000060100020110000000000100800100,1500000000f001,020040010400010000000000000000000000000000040000000000000000000000000200c02a05,000000000000012002004856c0cc28c039c0e5aa1f,0,6,27,1,0,2,33,34,-13.46,-4.285,1,,0.002183917,-,0.4658,-,0.4658,https://www.genome.jp/dbget-bin/www_bget?dr:D00711
4055,D05626, Propanidid (USAN/INN), Other general anesthetics,N01AX04,NERVOUS SYSTEM,c1(c(ccc(c1)CC(=O)OCCC)OCC(=O)N(CC)CC)OC,337.411,2.4381,92.036,65.07,33,0,6,KEJXLQUPYHWCNM-UHFFFAOYSA-N,C18H27NO5,CCCOC(=O)Cc1ccc(c(c1)OC)OCC(=O)N(CC)CC,"InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3",-4.398,-3.8681,-3.7844,-3.0258,-1.9521,-1.9432,1.0204,1.1175,1.2952,1.5433,1.7951,D05626_N01AX04,80060000002000000b00060000020000010001000800120000000080000400001800400000000013000e0408200001000002020000000804000000820000021808800802011004410000002002c0800100d00040000024084008080000000400400000000000040200000000c110000002062100080100200800004240200004,0400000070b005,030002000000000000009000120000000000000000000000000000000000000000000200402801,00000000000000008000305808783fe689dabeff1f,0,6,43,2,0,12,51,51,-9.077,0.4,0,1.0,0.19820590300000002,-,0.7011,-,0.7011,https://www.genome.jp/dbget-bin/www_bget?dr:D05626
4056,D07282, Alfaxalone (INN), Other general anesthetics,N01AX05,NERVOUS SYSTEM,[C@@]12([C@@H](CC[C@@H]1C(=O)C)[C@H]1[C@H](C(=O)C2)[C@@]2([C@@H](CC1)C[C@@H](CC2)O)C)C,332.477,3.7742,95.6468,54.37,35,1,3,DUHUCHOQIDJXAT-OLVMNOGESA-N,C21H32O3,OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2C(=O)C)C)C,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1",-2.9915,-2.9784,-1.9219,-1.0876,-0.9176,-0.8190000000000001,0.6065,0.6561,0.6598,0.818,0.8797,D07282_N01AX05,0000000000000200000000010000000000000000000000000000000000000000100000000000000100020000000000000100000000204002000000000000000008000800000000000000800008800004001000400000000000000200000000000000000000000000000000000000080000000000000000000000000100000100,1400002c00a001,0f2800000000010000000000000000000000000000000000000000000000000000004000402805,00000000000000000200008690892cc08954b7d21c,0,0,57,2,0,1,56,59,-10.115,0.564,8,0.0,0.44841402799999996,-,1.858,-,1.858,https://www.genome.jp/dbget-bin/www_bget?dr:D07282
4057,D00548, Etomidate (USAN/INN), Other general anesthetics,N01AX07,NERVOUS SYSTEM,n1(c(cnc1)C(=O)OCC)[C@@H](c1ccccc1)C,244.28900000000002,2.6691,68.8695,44.12,19,0,4,NPUKDXXFDDZOKR-LLVKDONJSA-N,C14H16N2O2,CCOC(=O)c1cncn1C(c1ccccc1)C,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",-5.3796,-3.6539,-1.9076,-1.7844,-1.2095,-1.0692,0.845,0.8509,0.9989,1.3708,1.4542,D00548_N01AX07,0004000404000cc00b044600040200040000000000000800008000c0000404001c014081400000a1008a001800000080000040400000490000000803008002000c000e008000020000003100009800000088004008800808c0080c40000340900410000000000000008000004000080010060100000110000012800102000000,04000000303005,010000000000000000009000000000004000000000009800000000000000000000000640403004,0000000000000000015414c00110822700a138ff1f,0,11,23,1,0,5,34,35,-9.863999999999999,-0.14,1,,0.076627739,+,0.3117,-,0.3117,https://www.genome.jp/dbget-bin/www_bget?dr:D00548
4058,D00549, Propofol (JAN/USAN/INN), Other general anesthetics,N01AX10,NERVOUS SYSTEM,c1(c(c(C(C)C)ccc1)O)C(C)C,178.271,3.639,57.625,20.23,19,1,1,OLBCVFGFOZPWHH-UHFFFAOYSA-N,C12H18O,CC(c1cccc(c1O)C(C)C)C,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",-0.462,-0.3881,-0.3758,-0.3725,-0.301,-0.2981,0.2811,0.3133,0.3154,0.3576,0.456,D00549_N01AX10,0004000000000000020002000000000000008000000000000000008000000000100040000000000000000008000000000000020000000000000000020000000008200800000000000000000002000000008000400000000840080800000000000002000000000002000000000100000000020100000100200800000000000000,0000000402b001,050000000000000000000000000000000000000000010000000000000000000000000200402000,0000000000000000000200000000014000d4b0901e,0,6,25,0,0,2,31,31,-9.166,0.597,0,1.0,0.108358681,-,0.2361,-,0.2361,https://www.genome.jp/dbget-bin/www_bget?dr:D00549
4059,D04257, Fospropofol disodium (USAN), Other general anesthetics,N01AX10,NERVOUS SYSTEM,c1(c(c(C(C)C)ccc1)OCOP(=O)(O)O)C(C)C,288.277,3.3789999999999996,74.1661,85.8,24,2,5,QVNNONOFASOXQV-UHFFFAOYSA-N,C13H21O5P,CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C,"InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)",-10.5252,-10.4963,-10.3023,-7.5217,-3.1333,-2.0954,3.0032,3.0126,3.4634,4.8144,5.0747,D04257_N01AX10,088401000000000102000200000300010000812000000002000000c00000020010004000000000000020400c004000000801020000000800000000022001000008202800010000018008020002000000008000400000000840080800000020000202000000400002000000000510000000020100080100200800000000000000,0000000050b001,050000000000004003000000000000000000000000000000000000000010200000000200402800,0000001800840000100200032092016c06dcbad51e,0,6,33,1,0,6,40,40,0.272,5.008,0,,3.51272e-15,-,0.9570000000000001,-,0.9570000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D04257
4060,D05866, Sodium oxybate (USAN), Other general anesthetics,N01AX11,NERVOUS SYSTEM,OCCCC(=O)O,104.105,-0.1565,24.2756,57.53,10,2,3,SJZRECIVHVDYJC-UHFFFAOYSA-N,C4H8O3,OCCCC(=O)O,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",-4.5551,-4.4032,-1.9281,-1.8765,-1.8126,-1.3294,0.8765,0.9063,1.1977,1.9113,2.355,D05866_N01AX11,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000004000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000400,0400001c00a002,021800000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000000206801020040c04065708,0,0,13,1,0,3,15,14,-4.21,6.276,0,0.0,,-,0.5089,-,0.5089,https://www.genome.jp/dbget-bin/www_bget?dr:D05866
4061,D05866, Sodium oxybate (USAN), Other nervous system drugs,N07XX04,NERVOUS SYSTEM,OCCCC(=O)O,104.105,-0.1565,24.2756,57.53,10,2,3,SJZRECIVHVDYJC-UHFFFAOYSA-N,C4H8O3,OCCCC(=O)O,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",-4.6287,-4.3844,-3.2014,-2.1255,-1.929,-1.3392,0.9889,1.2155,1.3398,2.3923,2.4297,D05866_N07XX04,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000004000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000400,0400001c00a002,021800000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000000206801020040c04065708,0,0,13,1,0,3,15,14,-4.21,6.276,0,0.0,,-,0.5089,-,0.5089,https://www.genome.jp/dbget-bin/www_bget?dr:D05866
4062,D00102, Nitrous oxide (JP17/USP), Other general anesthetics,N01AX13,NERVOUS SYSTEM,[N](=N)=O,45.0207,-0.0493,8.8917,40.92,3,1,2,GCSMFBHRGGAVQC-UHFFFAOYSA-N,HN2O,N=[N]=O,InChI=1S/HN2O/c1-2-3/h1H,-7.9923,-7.2685,-4.0462,-1.2564,2.6976,2.9926,-7.9923,-7.2685,-4.0462,-1.2564,2.6976,D00102_N01AX13,0000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000000000000000000000000,000000000000084070000020200050080220400009,0,0,1,2,0,0,4,3,-21.015,-16.76,0,-1.0,6.12429e-17,+,0.9371,-,0.9371,https://www.genome.jp/dbget-bin/www_bget?dr:D00102
4063,D07283, Esketamine (INN), Other general anesthetics,N01AX14,NERVOUS SYSTEM,[C@@]1(c2c(cccc2)Cl)(C(=O)CCCC1)[NH2+]C,238.733,1.8716,67.2884,33.68,18,1,1,YQEZLKZALYSWHR-CYBMUJFWSA-O,C13H17ClNO+,C[NH2+]C1(CCCCC1=O)c1ccccc1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1/t13-/m1/s1",-5.9597,-5.7005,-5.6684,-4.4295,-2.9755,-2.3972,1.8142,1.9669,2.1737,2.1995,2.7825,D07283_N01AX14,0006020000600608020006000201000000000090000000000002008000200000100050000000000010830018000d0000010000000020000200000002000000800000000000000040000020000c88000780b8014000003008c0080800000820000010000200000000000000000000000000060100020110000000000100800100,1500000000f001,020040010400010000000000000000000000000000040000000000000000000000000200c02a05,000000000000012002004856c0cc28c039c0e5aa1f,0,6,27,1,0,2,33,34,-13.365,-4.323,1,0.0,0.001312381,-,0.4658,-,0.4658,https://www.genome.jp/dbget-bin/www_bget?dr:D07283
4064,D07678, Chloroprocaine (INN), Esters of aminobenzoic acid,N01BA04,NERVOUS SYSTEM,c1(c(cc(cc1)N)Cl)C(=O)OCC[NH+](CC)CC,271.763,1.5849,75.3246,56.76,23,2,3,VDANGULDQQJODZ-UHFFFAOYSA-O,C13H20ClN2O2+,CC[NH+](CCOC(=O)c1ccc(cc1Cl)N)CC,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3/p+1",-6.0281,-5.098,-5.0945,-4.5680000000000005,-4.5615,-4.546,1.5516,1.581,1.5858,1.5915,1.9813,D07678_N01BA04,00020200000000c00000060000020000010000000000080000220080002400000400400000000032200b0208001000400000000000000000000000030010061008000802481000000100010006800002008800400410200040080000000100000040000000000008004000009000000000060980000300000008000002800000,0500000030f025,0100400a0400000000009000000000004005000000040000000000000000000000000240c02200,000000000000010000007a40c85c2a267da27cff1f,0,6,31,1,0,7,38,38,-11.118,-4.072,0,1.0,0.002871038,+,0.2186,-,0.2186,https://www.genome.jp/dbget-bin/www_bget?dr:D07678
4065,D00732, Chloroprocaine hydrochloride (USP), Esters of aminobenzoic acid,N01BA04,NERVOUS SYSTEM,c1(c(cc(cc1)N)Cl)C(=O)OCC[NH+](CC)CC,271.763,1.5849,75.3246,56.76,23,2,3,VDANGULDQQJODZ-UHFFFAOYSA-O,C13H20ClN2O2+,CC[NH+](CCOC(=O)c1ccc(cc1Cl)N)CC,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3/p+1",-6.0144,-5.1016,-5.0967,-4.5845,-4.5786,-4.5373,1.5478,1.6056,1.6111,1.6243,1.9271,D00732_N01BA04,00020200000000c00000060000020000010000000000080000220080002400000400400000000032200b0208001000400000000000000000000000030010061008000802481000000100010006800002008800400410200040080000000100000040000000000008004000009000000000060980000300000008000002800000,0500000030f025,0100400a0400000000009000000000004005000000040000000000000000000000000240c02200,000000000000010000007a40c85c2a267da27cff1f,0,6,31,1,0,7,38,38,-11.118,-4.07,0,1.0,0.0028696859999999998,+,0.2186,-,0.2186,https://www.genome.jp/dbget-bin/www_bget?dr:D00732
4066,D07552, Bupivacaine (USAN/INN), Amides,N01BB01,NERVOUS SYSTEM,[C@H]1([N@H+](CCCC)CCCC1)C(=O)Nc1c(cccc1C)C,289.436,4.1216,94.8024,33.54,31,2,2,LEBVLXFERQHONN-MRXNPFEDSA-O,C18H29N2O+,CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1/t16-/m1/s1",-6.0076,-4.9814,-4.6056,-4.5382,-3.8015,-3.2286,1.6307,1.7711,1.9273,1.9927,2.8092,D07552_N01BB01,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a603e8355b37daf1f,0,6,44,1,0,6,50,51,-12.189,-3.998,2,1.0,0.000622599,-,0.7816,-,0.7816,https://www.genome.jp/dbget-bin/www_bget?dr:D07552
4067,D01450, Bupivacaine hydrochloride (USP), Amides,N01BB01,NERVOUS SYSTEM,[C@H]1([N@H+](CCCC)CCCC1)C(=O)Nc1c(cccc1C)C,289.436,4.1216,94.8024,33.54,31,2,2,LEBVLXFERQHONN-MRXNPFEDSA-O,C18H29N2O+,CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1/t16-/m1/s1",-6.0221,-4.9728,-4.5937,-4.5222,-3.8148,-3.2116,1.6344,1.7589,1.9227,1.9516,2.7839,D01450_N01BB01,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a603e8355b37daf1f,0,6,44,1,0,6,50,51,-12.196,-3.9939999999999998,2,,0.000622821,-,0.7816,-,0.7816,https://www.genome.jp/dbget-bin/www_bget?dr:D01450
4068,D08181, Mepivacaine (INN), Amides,N01BB03,NERVOUS SYSTEM,c1(NC(=O)[C@@H]2[N@@H+](CCCC2)C)c(cccc1C)C,247.356,2.9513,80.3814,33.54,25,2,2,INWLQCZOYSRPNW-CYBMUJFWSA-O,C15H23N2O+,C[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/p+1/t13-/m1/s1",-6.005,-5.0333,-4.6339,-4.5999,-3.7886,-3.2491,1.6175,1.7841,1.9323,2.0076,2.8871,D08181_N01BB03,000200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044325e8a683c8355b17dab1f,0,6,35,1,0,3,41,42,-12.277999999999999,-4.22,2,0.0,0.004797398,-,0.5778,-,0.5778,https://www.genome.jp/dbget-bin/www_bget?dr:D08181
4069,D00738, Mepivacaine hydrochloride (JP17/USP), Amides,N01BB03,NERVOUS SYSTEM,c1(NC(=O)[C@@H]2[N@@H+](CCCC2)C)c(cccc1C)C,247.356,2.9513,80.3814,33.54,25,2,2,INWLQCZOYSRPNW-CYBMUJFWSA-O,C15H23N2O+,C[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/p+1/t13-/m1/s1",-6.0209,-5.0412,-4.6163,-4.596,-3.7894,-3.234,1.6226,1.7762,1.9282,1.9737,2.8221,D00738_N01BB03,000200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044325e8a683c8355b17dab1f,0,6,35,1,0,3,41,42,-12.276,-4.22,2,,0.004796237,-,0.5778,-,0.5778,https://www.genome.jp/dbget-bin/www_bget?dr:D00738
4070,D00553, Prilocaine (USP/INN), Amides,N01BB04,NERVOUS SYSTEM,c1(NC(=O)[C@H]([NH2+]CCC)C)c(cccc1)C,221.31900000000002,1.3684,69.0081,45.71,23,2,2,MVFGUOIZUNYYSO-LLVKDONJSA-O,C13H21N2O+,CCC[NH2+]C(C(=O)Nc1ccccc1C)C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)/p+1/t11-/m1/s1",-5.6905,-5.6805,-4.7445,-4.3422,-3.7418,-3.221,1.7538,1.8086,1.8569,1.9096,2.7225,D00553_N01BB04,000200000040000001000600008000088010000010000000000000800000000012004002012000200006003800001040000200000000000800000002000024000200000040000280002010000280000200b0004004002800400a0000000000000000000000000000400000000000002000060104200110000000000002400000,0500000000f001,0300400104000000000080000a0000000000000000000000000000000000000000000200c02a04,000000000000210000400a4c88683e0054b074af1f,0,6,30,1,0,6,37,37,-12.126,-4.185,1,,0.000376596,-,0.2207,-,0.2207,https://www.genome.jp/dbget-bin/www_bget?dr:D00553
4071,D01243, Prilocaine hydrochloride (USP), Amides,N01BB04,NERVOUS SYSTEM,c1cc(c(cc1)NC(=O)[C@H]([NH2+]CCC)C)C,221.31900000000002,1.3684,69.0081,45.71,23,2,2,MVFGUOIZUNYYSO-LLVKDONJSA-O,C13H21N2O+,CCC[NH2+]C(C(=O)Nc1ccccc1C)C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)/p+1/t11-/m1/s1",-5.7256,-5.6907,-4.7907,-4.3752,-3.7566,-3.2358,1.7485,1.7597,1.8643,1.9228,2.6860000000000004,D01243_N01BB04,000200000040000001000600008000088010000010000000000000800000000012004002012000200006003800001040000200000000000800000002000024000200000040000280002010000280000200b0004004002800400a0000000000000000000000000000400000000000002000060104200110000000000002400000,0500000000f001,0300400104000000000080000a0000000000000000000000000000000000000000000200c02a04,000000000000210000400a4c88683e0054b074af1f,0,6,30,1,0,6,37,37,-12.134,-4.184,1,-1.0,0.000457537,-,0.2207,-,0.2207,https://www.genome.jp/dbget-bin/www_bget?dr:D01243
4072,D07284, Butanilicaine (INN), Amides,N01BB05,NERVOUS SYSTEM,c1ccc(c(c1C)NC(=O)C[NH2+]CCCC)Cl,255.764,2.0234,74.0181,45.71,22,2,2,VWYQKFLLGRBICZ-UHFFFAOYSA-O,C13H20ClN2O+,CCCC[NH2+]CC(=O)Nc1c(C)cccc1Cl,"InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)/p+1",-5.695,-5.6691,-4.8343,-4.3917,-3.762,-3.2491,1.7634,1.7983,1.9199,1.92,2.7322,D07284_N01BB05,000202000040000001000600008000088010001010000000000400800020000012004102012000200007003800001040010200000000000800000012000024000000000040000280002010000680000200a8004004002800c00a0000000000000000002800000004400000000000000000060104200110000000000002c00000,0500000000f001,0300400104000000000080000a0000000000000000040000000000000000000000000200c02a00,000000000000210000406a4ec8643e807da274af1f,0,6,30,1,0,7,37,37,-12.437000000000001,-4.3389999999999995,0,0.0,0.00257475,-,0.2289,-,0.2289,https://www.genome.jp/dbget-bin/www_bget?dr:D07284
4073,D04095, Etidocaine (USAN/INN), Amides,N01BB07,NERVOUS SYSTEM,c1(NC(=O)[C@H]([N@@H+](CCC)CC)CC)c(cccc1C)C,277.425,2.4083,88.4894,33.54,31,2,2,VTUSIVBDOCDNHS-OAHLLOKOSA-O,C17H29N2O+,CCC[NH+](C(C(=O)Nc1c(C)cccc1C)CC)CC,"InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)/p+1/t15-/m1/s1",-6.0467,-4.886,-4.5515,-4.5002,-3.8389,-3.2179,1.5865,1.7191,1.9292,2.2065,2.4732,D04095_N01BB07,002200000040000001000600008000088010001010000000000000800000000012004002012000200006003800001040010200000000000800000002000024000a00000040000280002010000280000600b0004004002800c00a0000000000000000000000000000402000000100002000060104200110000000000002400000,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040324e88683e8255b27caf1f,0,6,42,1,0,8,49,49,-12.217,-4.157,2,2.0,0.018618744,-,0.506,-,0.506,https://www.genome.jp/dbget-bin/www_bget?dr:D04095
4074,D00737, Etidocaine hydrochloride, Amides,N01BB07,NERVOUS SYSTEM,c1(NC(=O)[C@H]([N@@H+](CCC)CC)CC)c(cccc1C)C,277.425,2.4083,88.4894,33.54,31,2,2,VTUSIVBDOCDNHS-OAHLLOKOSA-O,C17H29N2O+,CCC[NH+](C(C(=O)Nc1c(C)cccc1C)CC)CC,"InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)/p+1/t15-/m1/s1",-6.0120000000000005,-4.9657,-4.5706,-4.5296,-3.7538,-3.2278,1.6318,1.7932,1.9201,1.9871,2.7852,D00737_N01BB07,002200000040000001000600008000088010001010000000000000800000000012004002012000200006003800001040010200000000000800000002000024000a00000040000280002010000280000600b0004004002800c00a0000000000000000000000000000402000000100002000060104200110000000000002400000,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040324e88683e8255b27caf1f,0,6,42,1,0,8,49,49,-12.217,-4.157,2,1.0,0.018618744,-,0.506,-,0.506,https://www.genome.jp/dbget-bin/www_bget?dr:D00737
4075,D07468, Articaine (INN), Amides,N01BB08,NERVOUS SYSTEM,c1(c(c(sc1)C(=O)OC)NC(=O)[C@H]([NH2+]CCC)C)C,285.382,1.2165,78.1646,100.25,25,2,5,QTGIAADRBBLJGA-SECBINFHSA-O,C13H21N2O3S+,CCC[NH2+]C(C(=O)Nc1c(C)csc1C(=O)OC)C,"InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)/p+1/t9-/m1/s1",-5.7167,-5.7125,-5.4053,-4.8536,-4.3614,-3.8009,1.7397,1.7662,1.7707,1.9598,2.3332,D07468_N01BB08,0002c100044000c00100060000020008841000801000000000202004000000431601401201001020800e087800201000110200400000001018000002000027010a00080e0a344280032011001a80100680b000c08002280000120000000180000009080088000080404001004000102000060025200910000008000442000110,0500000030f005,0300400104000000000090000a000000400300000000c000000000000000000000000640c03a04,000000000800210000408fdc89683e24d4b176ff1b,0,5,33,2,0,8,40,40,-12.1,-4.07,1,1.0,0.001864174,-,0.8866,-,0.8866,https://www.genome.jp/dbget-bin/www_bget?dr:D07468
4076,D02991, Articaine hydrochloride (USAN), Amides,N01BB08,NERVOUS SYSTEM,c1(c(c(sc1)C(=O)OC)NC(=O)[C@H]([NH2+]CCC)C)C,285.382,1.2165,78.1646,100.25,25,2,5,QTGIAADRBBLJGA-SECBINFHSA-O,C13H21N2O3S+,CCC[NH2+]C(C(=O)Nc1c(C)csc1C(=O)OC)C,"InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)/p+1/t9-/m1/s1",-5.7077,-5.6966,-5.3472,-4.7807,-4.3554,-3.8102,1.7167,1.7416,1.7472,1.7701,2.6146,D02991_N01BB08,0002c100044000c00100060000020008841000801000000000202004000000431601401201001020800e087800201000110200400000001018000002000027010a00080e0a344280032011001a80100680b000c08002280000120000000180000009080088000080404001004000102000060025200910000008000442000110,0500000030f005,0300400104000000000090000a000000400300000000c000000000000000000000000640c03a04,000000000800210000408fdc89683e24d4b176ff1b,0,5,33,2,0,8,40,40,-12.099,-4.069,1,1.0,0.00186476,-,0.8866,-,0.8866,https://www.genome.jp/dbget-bin/www_bget?dr:D02991
4077,D08490, Ropivacaine (INN), Amides,N01BB09,NERVOUS SYSTEM,[C@@H]1([N@@H+](CCCC1)CCC)C(=O)Nc1c(cccc1C)C,275.409,3.7315,89.9954,33.54,29,2,2,ZKMNUMMKYBVTFN-HNNXBMFYSA-O,C17H27N2O+,CCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/p+1/t15-/m0/s1",-5.9855,-4.9885,-4.5814,-4.5713,-3.8054,-3.2227,1.6093,1.7791,1.9331,1.9869,2.9506,D08490_N01BB09,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a68368355b37daf1f,0,6,41,1,0,5,47,48,-12.197000000000001,-4.067,2,1.0,0.021663856000000002,-,0.6759,-,0.6759,https://www.genome.jp/dbget-bin/www_bget?dr:D08490
4078,D04048, Ropivacaine hydrochloride (USP), Amides,N01BB09,NERVOUS SYSTEM,c1cc(c(c(c1)C)NC(=O)[C@H]1[N@@H+](CCCC1)CCC)C,275.409,3.7315,89.9954,33.54,29,2,2,ZKMNUMMKYBVTFN-HNNXBMFYSA-O,C17H27N2O+,CCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/p+1/t15-/m0/s1",-6.0063,-4.9687,-4.5915,-4.5472,-3.7691,-3.2357,1.6037,1.7603,1.9121,1.9507,2.7910000000000004,D04048_N01BB09,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a68368355b37daf1f,0,6,41,1,0,5,47,48,-12.212,-4.0169999999999995,2,,0.022084202999999997,-,0.6759,-,0.6759,https://www.genome.jp/dbget-bin/www_bget?dr:D04048
4079,D08116, Levobupivacaine (INN), Amides,N01BB10,NERVOUS SYSTEM,[C@@H]1([N@@H+](CCCC1)CCCC)C(=O)Nc1c(cccc1C)C,289.436,4.1216,94.8024,33.54,31,2,2,LEBVLXFERQHONN-INIZCTEOSA-O,C18H29N2O+,CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1/t16-/m0/s1",-5.9946,-4.9851,-4.5906,-4.5904,-3.7562,-3.2479,1.6099,1.7694,1.9316,1.9725,2.9193,D08116_N01BB10,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a603e8355b37daf1f,0,6,44,1,0,6,50,51,-12.192,-3.985,2,1.0,0.000623642,-,0.7816,-,0.7816,https://www.genome.jp/dbget-bin/www_bget?dr:D08116
4080,D01287, Levobupivacaine hydrochloride (JAN/USAN, Amides,N01BB10,NERVOUS SYSTEM,[C@@H]1([N@@H+](CCCC1)CCCC)C(=O)Nc1c(cccc1C)C,289.436,4.1216,94.8024,33.54,31,2,2,LEBVLXFERQHONN-INIZCTEOSA-O,C18H29N2O+,CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1/t16-/m0/s1",-6.0037,-4.9965,-4.5909,-4.5891,-3.7861,-3.234,1.6103,1.7717,1.925,1.9747,2.9186,D01287_N01BB10,002200000040000001000600008000088010001010000000000000800000000012005002012000201006003800001040010200000020000800000002000024000a00000040000280002010000a80000600b0015004002800c00a0000000000000000002000000000402000000100002000060104200110000000000102400100,0500000000f001,0300400204000000000080000a0000000000000000000000000000000000000000000600c02a04,00000000000021000044324e8a603e8355b37daf1f,0,6,44,1,0,6,50,51,-12.19,-3.98,2,,0.0006233559999999999,-,0.7816,-,0.7816,https://www.genome.jp/dbget-bin/www_bget?dr:D01287
4081,D00110, Cocaine (USP), Esters of benzoic acid,N01BC01,NERVOUS SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9768,-4.6244,-4.6079,-4.5586,-4.4097,-4.2732,1.5476,1.5499,1.6073,1.6647,1.9353,D00110_N01BC01,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.568,-3.897,5,,0.0017505889999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D00110
4082,D00110, Cocaine (USP)," Anesthetics, local",R02AD03,RESPIRATORY SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9897,-4.6216,-4.6014,-4.5629,-4.4144,-4.2981,1.5473,1.5514,1.6101,1.6563,1.9256,D00110_R02AD03,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.568,-3.897,5,,0.0017505889999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D00110
4083,D00110, Cocaine (USP), Local anesthetics,S01HA01,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9733,-4.6263,-4.6024,-4.5754,-4.4184,-4.2669,1.5493,1.5498,1.6026,1.6302,1.9519,D00110_S01HA01,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.568,-3.897,5,,0.0017505889999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D00110
4084,D00110, Cocaine (USP), Analgesics and anesthetics,S02DA02,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9844,-4.6275,-4.6079,-4.5709,-4.4123,-4.2412,1.5488,1.5545,1.6112,1.6316,1.9386,D00110_S02DA02,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.568,-3.897,5,,0.0017505889999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D00110
4085,D02182, Cocaine hydrochloride (JP17/USP), Esters of benzoic acid,N01BC01,NERVOUS SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9843,-4.6152,-4.5999,-4.5699,-4.4292,-4.2382,1.5478,1.5490000000000002,1.6021,1.6118,1.9167,D02182_N01BC01,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.565,-3.8989999999999996,5,1.0,0.0017510639999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D02182
4086,D02182, Cocaine hydrochloride (JP17/USP)," Anesthetics, local",R02AD03,RESPIRATORY SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.974,-4.6145,-4.5992,-4.5609,-4.4142,-4.2939,1.5471,1.5498,1.5975,1.6522,1.9215,D02182_R02AD03,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.565,-3.8989999999999996,5,1.0,0.0017510639999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D02182
4087,D02182, Cocaine hydrochloride (JP17/USP), Local anesthetics,S01HA01,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9751,-4.6248,-4.5944,-4.5658,-4.4138,-4.2819,1.5445,1.5462,1.5982,1.6688,1.9367,D02182_S01HA01,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.565,-3.8989999999999996,5,1.0,0.0017510639999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D02182
4088,D02182, Cocaine hydrochloride (JP17/USP), Analgesics and anesthetics,S02DA02,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H]([C@@H]2C(=O)OC)OC(=O)c1ccccc1)C,304.361,2.0198,85.8152,57.04,26,1,4,ZPUCINDJVBIVPJ-GBJTYRQASA-O,C17H22NO4+,COC(=O)C1C(CC2[NH+](C1CC2)C)OC(=O)c1ccccc1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14+,15+/m0/s1",-5.9879999999999995,-4.6261,-4.6173,-4.5672,-4.4264,-4.2867,1.5514,1.5530000000000002,1.5714,1.6059,1.9464,D02182_S02DA02,00220002000002c00e00060000020000001000100080080000200080011400001400500080000001300a021820000000010200001020c001000000020000a2000810080200000000000089011a80001c0090015000002000c00800010001000000000020000000001040200050000c0000070100000110000008000100000100,0500000030f005,060040020400000000009000000000000001000000000000000000000000000000008640c02a05,000004000000010000041497834928e78949fffa1f,0,6,38,2,0,5,44,46,-12.565,-3.8989999999999996,5,1.0,0.0017510639999999999,+,1.0065,-,1.0065,https://www.genome.jp/dbget-bin/www_bget?dr:D02182
4089,D04088, Ethyl chloride (USP), Other local anesthetics,N01BX01,NERVOUS SYSTEM,CCCl,64.5141,1.2451,16.524,0.0,5,0,0,HRYZWHHZPQKTII-UHFFFAOYSA-N,C2H5Cl,CCCl,"InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",-0.6816,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D04088_N01BX01,0000020000000000000000000000000000000000000000000000000800000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,810000000000000000000000000000000000000000000000000000000000000000000000000000,000000000000000000000000400002002000008500,0,0,7,0,0,0,8,7,-11.222999999999999,1.281,0,0.0,0.0029875459999999998,+,1.051,-,1.051,https://www.genome.jp/dbget-bin/www_bget?dr:D04088
4090,D07881, Dyclonine (INN), Other local anesthetics,N01BX02,NERVOUS SYSTEM,c1(ccc(cc1)OCCCC)C(=O)CC[NH+]1CCCCC1,290.42,4.0763,92.0512,30.74,30,1,2,BZEWSEKUUPWQDQ-UHFFFAOYSA-O,C18H28NO2+,CCCCOc1ccc(cc1)C(=O)CC[NH+]1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3/p+1",-5.974,-4.6022,-4.5865,-4.5546,-2.8022,-1.9259,1.4465,1.4579,1.5607,1.5787,1.5874,D07881_N01BX02,00260000000000800a0006000002000000000010000012000000008000100000140050000000000100020218000100000102020010004000000000020000000008200c000100001100000000028080080090015000003008c008080000080000000000200000040200000002001000000007010009011020080a000100000004,1500000050f001,030042020400010000000000000000000001000000000000000000000000000000000640c02a01,0000000000000100000432068b502fe30943cdf71f,0,6,43,1,0,8,49,50,-11.753,-3.889,0,-4.0,0.030549608,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D07881
4091,D07881, Dyclonine (INN)," Anesthetics, local",R02AD04,RESPIRATORY SYSTEM,c1(ccc(cc1)OCCCC)C(=O)CC[NH+]1CCCCC1,290.42,4.0763,92.0512,30.74,30,1,2,BZEWSEKUUPWQDQ-UHFFFAOYSA-O,C18H28NO2+,CCCCOc1ccc(cc1)C(=O)CC[NH+]1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3/p+1",-5.9652,-4.6089,-4.5696,-4.5616,-2.8438,-1.8904,1.4380000000000002,1.4680000000000002,1.5592,1.5721,1.5963,D07881_R02AD04,00260000000000800a0006000002000000000010000012000000008000100000140050000000000100020218000100000102020010004000000000020000000008200c000100001100000000028080080090015000003008c008080000080000000000200000040200000002001000000007010009011020080a000100000004,1500000050f001,030042020400010000000000000000000001000000000000000000000000000000000640c02a01,0000000000000100000432068b502fe30943cdf71f,0,6,43,1,0,8,49,50,-11.753,-3.889,0,-4.0,0.030549608,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D07881
4092,D00735, Dyclonine hydrochloride (USP), Other local anesthetics,N01BX02,NERVOUS SYSTEM,c1(ccc(cc1)OCCCC)C(=O)CC[NH+]1CCCCC1,290.42,4.0763,92.0512,30.74,30,1,2,BZEWSEKUUPWQDQ-UHFFFAOYSA-O,C18H28NO2+,CCCCOc1ccc(cc1)C(=O)CC[NH+]1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3/p+1",-5.9655,-4.6033,-4.5776,-4.5703,-2.7999,-1.9151,1.4538,1.4557,1.5639,1.5717,1.5908,D00735_N01BX02,00260000000000800a0006000002000000000010000012000000008000100000140050000000000100020218000100000102020010004000000000020000000008200c000100001100000000028080080090015000003008c008080000080000000000200000040200000002001000000007010009011020080a000100000004,1500000050f001,030042020400010000000000000000000001000000000000000000000000000000000640c02a01,0000000000000100000432068b502fe30943cdf71f,0,6,43,1,0,8,49,50,-11.753,-3.89,0,,0.030536048,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D00735
4093,D00735, Dyclonine hydrochloride (USP)," Anesthetics, local",R02AD04,RESPIRATORY SYSTEM,c1(ccc(cc1)OCCCC)C(=O)CC[NH+]1CCCCC1,290.42,4.0763,92.0512,30.74,30,1,2,BZEWSEKUUPWQDQ-UHFFFAOYSA-O,C18H28NO2+,CCCCOc1ccc(cc1)C(=O)CC[NH+]1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3/p+1",-5.974,-4.6055,-4.5907,-4.5614,-2.7958,-1.9307,1.4506,1.4557,1.5614,1.5802,1.5909,D00735_R02AD04,00260000000000800a0006000002000000000010000012000000008000100000140050000000000100020218000100000102020010004000000000020000000008200c000100001100000000028080080090015000003008c008080000080000000000200000040200000002001000000007010009011020080a000100000004,1500000050f001,030042020400010000000000000000000001000000000000000000000000000000000640c02a01,0000000000000100000432068b502fe30943cdf71f,0,6,43,1,0,8,49,50,-11.753,-3.89,0,,0.030536048,-,0.7725,-,0.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D00735
4094,D08233, Morphine (BAN), Natural opium alkaloids,N02AA01,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C)O,286.346,1.3502,83.2335,54.13,23,3,3,BQJCRHHNABKAKU-KBQPJGBKSA-O,C17H20NO3+,OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1",-6.0435,-4.6032,-4.5902,-4.4569,-2.8561,-1.3818,1.4080000000000001,1.4849,1.5556,1.5866,1.607,D08233_N02AA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c30204,0000000000000101820436949ec1adc305c5cff91f,0,6,38,1,0,0,41,45,-11.944,-3.752,6,-1.0,0.000364102,-,1.5419999999999998,-,1.5419999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D08233
4095,D00842, Morphine sulfate (USP), Natural opium alkaloids,N02AA01,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C)O,286.346,1.3502,83.2335,54.13,23,3,3,BQJCRHHNABKAKU-KBQPJGBKSA-O,C17H20NO3+,OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1",-6.0435,-4.6032,-4.5902,-4.4569,-2.8561,-1.3818,1.4080000000000001,1.4849,1.5556,1.5866,1.607,D00842_N02AA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c30204,0000000000000101820436949ec1adc305c5cff91f,0,6,38,1,0,0,41,45,-11.945,-3.75,6,0.0,0.000363581,-,1.5419999999999998,-,1.5419999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D00842
4096,D02271, Morphine hydrochloride hydrate (JP17), Natural opium alkaloids,N02AA01,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C)O,286.346,1.3502,83.2335,54.13,23,3,3,BQJCRHHNABKAKU-KBQPJGBKSA-O,C17H20NO3+,OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1",-6.0435,-4.6032,-4.5902,-4.4569,-2.8561,-1.3818,1.4080000000000001,1.4849,1.5556,1.5866,1.607,D02271_N02AA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c30204,0000000000000101820436949ec1adc305c5cff91f,0,6,38,1,0,0,41,45,-11.945,-3.7510000000000003,6,,0.000363992,-,1.5419999999999998,-,1.5419999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D02271
4097,D08234, Morphine tartrate, Natural opium alkaloids,N02AA01,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C)O,286.346,1.3502,83.2335,54.13,23,3,3,BQJCRHHNABKAKU-KBQPJGBKSA-O,C17H20NO3+,OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1",-6.0435,-4.6032,-4.5902,-4.4569,-2.8561,-1.3818,1.4080000000000001,1.4849,1.5556,1.5866,1.607,D08234_N02AA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c30204,0000000000000101820436949ec1adc305c5cff91f,0,6,38,1,0,0,41,45,-11.940999999999999,-3.7430000000000003,6,0.0,0.000364185,-,1.5419999999999998,-,1.5419999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D08234
4098,D08047, Hydromorphone (INN), Natural opium alkaloids,N02AA03,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C,286.346,1.7824,82.7457,50.97,23,2,3,WVLOADHCBXTIJK-YNHQPCIGSA-O,C17H20NO3+,O=C1CCC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/p+1/t10-,11+,16-,17-/m0/s1",-6.1362,-4.8533,-4.7828,-4.7397,-3.0442,-1.3279,1.4066,1.415,1.5728,1.6999,1.7212,D08047_N02AA03,402e0000000002000ac80600020300040000001008021200010000c000080000100450810040000110022018000100000102020008204806008000a20002800818a00c02210004118000a0201ac0800440d0815000003408c0180800800805004102002000000007020000c261101800000721000a0510200802004300100104,1500000452f001,0e0042020400010000000000000000000000000000010000000000000000000000006600c00a05,0000000000000101820436969ac9adc30dc5cffb1f,0,6,38,1,0,0,41,45,-12.113,-3.99,5,-1.0,0.00089357,-,1.5485,-,1.5485,https://www.genome.jp/dbget-bin/www_bget?dr:D08047
4099,D00839, Hydromorphone hydrochloride (JAN/USP), Natural opium alkaloids,N02AA03,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)C,286.346,1.7824,82.7457,50.97,23,2,3,WVLOADHCBXTIJK-YNHQPCIGSA-O,C17H20NO3+,O=C1CCC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/p+1/t10-,11+,16-,17-/m0/s1",-6.1362,-4.8533,-4.7828,-4.7397,-3.0442,-1.3279,1.4066,1.415,1.5728,1.6999,1.7212,D00839_N02AA03,402e0000000002000ac80600020300040000001008021200010000c000080000100450810040000110022018000100000102020008204806008000a20002800818a00c02210004118000a0201ac0800440d0815000003408c0180800800805004102002000000007020000c261101800000721000a0510200802004300100104,1500000452f001,0e0042020400010000000000000000000000000000010000000000000000000000006600c00a05,0000000000000101820436969ac9adc30dc5cffb1f,0,6,38,1,0,0,41,45,-12.113,-3.989,5,0.0,0.000893366,-,1.5485,-,1.5485,https://www.genome.jp/dbget-bin/www_bget?dr:D00839
4100,D07285, Nicomorphine (INN), Natural opium alkaloids,N02AA04,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC(=O)c1cccnc1)[N@H+](CC3)C)OC(=O)c1cnccc1,496.534,3.5185,137.84,92.05,33,1,7,HNDXBGYRMHRUFN-CIVUWBIHSA-O,C29H26N3O5+,O=C(c1cccnc1)OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1OC(=O)c1cccnc1,"InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/p+1/t20-,21+,23-,26-,29-/m0/s1",-6.0397,-4.6053,-4.6039,-4.4959,-4.2664,-4.2516,1.466,1.5373,1.5561,1.5945,1.6041,D07285_N02AA04,502f8112000002e40acc0700020340042400809000425a0c012400c0001424021c14d48940e08035508a2418200100c001a202001220692464800022000282081cb00c02250425118000a12102ca82004080815104033048ca181800902900104306003800100c02024800c271101c00100731800a4d10a0080a80cb02100004,0500000070f005,1e0042020400000000009000000000004001000000009000000000000000000000006640c32204,0000000000000101830436949fc1ade781e9cffb1f,0,18,48,3,0,6,63,69,-12.089,-3.786,6,0.0,0.207181662,+,3.2743,-,3.2743,https://www.genome.jp/dbget-bin/www_bget?dr:D07285
4101,D08273, Nicomorphine hydrochloride, Natural opium alkaloids,N02AA04,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC(=O)c1cccnc1)[N@H+](CC3)C)OC(=O)c1cnccc1,496.534,3.5185,137.84,92.05,33,1,7,HNDXBGYRMHRUFN-CIVUWBIHSA-O,C29H26N3O5+,O=C(c1cccnc1)OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1OC(=O)c1cccnc1,"InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/p+1/t20-,21+,23-,26-,29-/m0/s1",-6.0396,-4.6054,-4.6046,-4.5072,-4.2914,-4.2576,1.4664,1.5362,1.5585,1.5946,1.6076,D08273_N02AA04,502f8112000002e40acc0700020340042400809000425a0c012400c0001424021c14d48940e08035508a2418200100c001a202001220692464800022000282081cb00c02250425118000a12102ca82004080815104033048ca181800902900104306003800100c02024800c271101c00100731800a4d10a0080a80cb02100004,0500000070f005,1e0042020400000000009000000000004001000000009000000000000000000000006640c32204,0000000000000101830436949fc1ade781e9cffb1f,0,18,48,3,0,6,63,69,-12.092,-3.786,6,0.0,0.20712754100000003,+,3.2743,-,3.2743,https://www.genome.jp/dbget-bin/www_bget?dr:D08273
4102,D05312, Oxycodone (USAN/INN), Natural opium alkaloids,N02AA05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5OC)[N@H+](C)CC3)O,316.372,1.2003,88.4145,60.2,26,2,4,BRUQQQPBMZOVGD-XFKAJCMBSA-O,C18H22NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4(O)CCC1=O)C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1",-6.0431,-4.6009,-4.5876,-4.5036,-3.0003,-2.0121,1.4361,1.4601,1.5608,1.5868,1.6161,D05312_N02AA05,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0221ac0800440d1815000003408c0180801800805004182002000100407020000c2e1101800000721000a0510200802004300100504,1500004c50f001,0a4842020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000002101820436d79ac9ade30dcddffb1f,0,6,42,1,0,1,45,49,-12.125,-4.087,5,0.0,0.001134364,-,1.7076,-,1.7076,https://www.genome.jp/dbget-bin/www_bget?dr:D05312
4103,D00847, Oxycodone hydrochloride (USP), Natural opium alkaloids,N02AA05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5OC)[N@H+](C)CC3)O,316.372,1.2003,88.4145,60.2,26,2,4,BRUQQQPBMZOVGD-XFKAJCMBSA-O,C18H22NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4(O)CCC1=O)C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1",-6.0432,-4.601,-4.5874,-4.5037,-3.0003,-2.0121,1.4361,1.46,1.5608,1.5868,1.6161,D00847_N02AA05,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0221ac0800440d1815000003408c0180801800805004182002000100407020000c2e1101800000721000a0510200802004300100504,1500004c50f001,0a4842020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000002101820436d79ac9ade30dcddffb1f,0,6,42,1,0,1,45,49,-12.127,-4.0889999999999995,5,,0.001134218,-,1.7076,-,1.7076,https://www.genome.jp/dbget-bin/www_bget?dr:D00847
4104,D02175, Compound oxycodone (JP17), Natural opium alkaloids,N02AA05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,316.372,1.2003,88.4145,60.2,26,2,4,BRUQQQPBMZOVGD-XFKAJCMBSA-O,C18H22NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4(O)CCC1=O)C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1",-6.0319,-4.6132,-4.5852,-4.501,-3.0007,-2.0182,1.4372,1.4451,1.5846,1.6103,1.6312,D02175_N02AA05,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0221ac0800440d1815000003408c0180801800805004182002000100407020000c2e1101800000721000a0510200802004300100504,1500004c50f001,0a4842020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000002101820436d79ac9ade30dcddffb1f,0,6,42,1,0,1,45,49,-12.038,-4.073,5,0.0,0.0012199589999999998,-,1.7076,-,1.7076,https://www.genome.jp/dbget-bin/www_bget?dr:D02175
4105,D03783, Oxycodone terephthalate (USP), Natural opium alkaloids,N02AA05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5OC)[N@H+](C)CC3)O,316.372,1.2003,88.4145,60.2,26,2,4,BRUQQQPBMZOVGD-XFKAJCMBSA-O,C18H22NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4(O)CCC1=O)C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1",-6.0433,-4.6012,-4.5873,-4.5034,-3.0005,-2.0121,1.4362,1.46,1.5607,1.5868,1.6161,D03783_N02AA05,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0221ac0800440d1815000003408c0180801800805004182002000100407020000c2e1101800000721000a0510200802004300100504,1500004c50f001,0a4842020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000002101820436d79ac9ade30dcddffb1f,0,6,42,1,0,1,45,49,-12.126,-4.088,5,1.0,0.001132402,-,1.7076,-,1.7076,https://www.genome.jp/dbget-bin/www_bget?dr:D03783
4106,D05462, Oxycodone hydrochloride hydrate (JP17), Natural opium alkaloids,N02AA05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,316.372,1.2003,88.4145,60.2,26,2,4,BRUQQQPBMZOVGD-XFKAJCMBSA-O,C18H22NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4(O)CCC1=O)C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/p+1/t13-,16+,17+,18-/m1/s1",-6.0319,-4.6138,-4.5853,-4.5008,-3.0006,-2.0181,1.4371,1.4449,1.5846,1.6107,1.6315,D05462_N02AA05,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0221ac0800440d1815000003408c0180801800805004182002000100407020000c2e1101800000721000a0510200802004300100504,1500004c50f001,0a4842020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000002101820436d79ac9ade30dcddffb1f,0,6,42,1,0,1,45,49,-12.038,-4.073,5,1.0,0.001217554,-,1.7076,-,1.7076,https://www.genome.jp/dbget-bin/www_bget?dr:D05462
4107,D07831, Dihydrocodeine (INN), Natural opium alkaloids,N02AA08,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,302.388,1.8772,88.1765,43.13,27,2,3,RBOXVHNMENFORY-DNJOTXNNSA-O,C18H24NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1O)C,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0496,-4.8961,-4.7313,-4.6816,-1.9221,-1.1345,1.4380000000000002,1.4754,1.5552,1.6005,1.6043,D07831_N02AA08,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020000204806008000220002800818a00c02210024118000a021024080004080815000003008c0180800900800004102002000100402020000c261101800000721000a0510200802004300100004,0100002c50f001,0e2842020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000101820436969ac9ade30dc5dff91f,0,6,44,0,0,1,46,50,-11.732000000000001,-3.679,6,1.0,0.0027656490000000002,-,1.6359,-,1.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D07831
4108,D01481, Dihydrocodeine phosphate (JP17), Natural opium alkaloids,N02AA08,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,302.388,1.8772,88.1765,43.13,27,2,3,RBOXVHNMENFORY-DNJOTXNNSA-O,C18H24NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1O)C,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0493,-4.8962,-4.7311,-4.6818,-1.9221,-1.1345,1.4382,1.4752,1.5551,1.6004,1.6044,D01481_N02AA08,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020000204806008000220002800818a00c02210024118000a021024080004080815000003008c0180800900800004102002000100402020000c261101800000721000a0510200802004300100004,0100002c50f001,0e2842020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000101820436969ac9ade30dc5dff91f,0,6,44,0,0,1,46,50,-11.824000000000002,-3.7319999999999998,6,1.0,0.002790523,-,1.6359,-,1.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D01481
4109,D03825, Dihydrocodeine bitartrate (USP), Natural opium alkaloids,N02AA08,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,302.388,1.8772,88.1765,43.13,27,2,3,RBOXVHNMENFORY-DNJOTXNNSA-O,C18H24NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1O)C,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0498,-4.8958,-4.7312,-4.6819,-1.9221,-1.1346,1.4380000000000002,1.4754,1.5552,1.6004,1.6043,D03825_N02AA08,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020000204806008000220002800818a00c02210024118000a021024080004080815000003008c0180800900800004102002000100402020000c261101800000721000a0510200802004300100004,0100002c50f001,0e2842020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000101820436969ac9ade30dc5dff91f,0,6,44,0,0,1,46,50,-11.82,-3.7319999999999998,6,0.0,0.0027950690000000003,-,1.6359,-,1.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D03825
4110,D07832, Dihydrocodeine thiocyanate, Natural opium alkaloids,N02AA08,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,302.388,1.8772,88.1765,43.13,27,2,3,RBOXVHNMENFORY-DNJOTXNNSA-O,C18H24NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1O)C,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.05,-4.8958,-4.7313,-4.6819999999999995,-1.9221,-1.1345,1.4380000000000002,1.4754,1.5552,1.6006,1.6043,D07832_N02AA08,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020000204806008000220002800818a00c02210024118000a021024080004080815000003008c0180800900800004102002000100402020000c261101800000721000a0510200802004300100004,0100002c50f001,0e2842020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000101820436969ac9ade30dc5dff91f,0,6,44,0,0,1,46,50,-11.732000000000001,-3.68,6,0.0,0.002768572,-,1.6359,-,1.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D07832
4111,D08100, Ketobemidone (INN), Phenylpiperidine derivatives,N02AB01,NERVOUS SYSTEM,[C@]1(c2cccc(c2)O)(C(=O)CC)CC[N@H+](CC1)C,248.34099999999998,2.4868,77.6297,41.74,24,2,2,ALFGKMXHOUSVAD-UHFFFAOYSA-O,C15H22NO2+,CCC(=O)C1(CC[NH+](CC1)C)c1cccc(c1)O,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3/p+1",-6.0331,-4.6339,-4.6328,-4.6241,-2.9855,-1.6692,1.4485,1.4594,1.6091,1.6108,1.6111,D08100_N02AB01,00068000002000000a00060000000000000001100000000000000080000000001000500000000000100200180001000001020200002000000000000200000000080004000000004000002000028000050090015000003008c0080800000800000000002000000002000000400000000000060100020110200802004300000200,1500000402f001,0b0040020400010000000000000000000000000000010000000000000000000000000600c02a05,0000000000000120020432148ac82fc30d47ddf71f,0,6,34,1,0,3,40,41,-12.075999999999999,-4.006,0,0.0,0.0013008339999999998,-,0.2924,-,0.2924,https://www.genome.jp/dbget-bin/www_bget?dr:D08100
4112,D08101, Ketobemidone hydrochloride, Phenylpiperidine derivatives,N02AB01,NERVOUS SYSTEM,[C@]1(c2cccc(c2)O)(C(=O)CC)CC[N@H+](CC1)C,248.34099999999998,2.4868,77.6297,41.74,24,2,2,ALFGKMXHOUSVAD-UHFFFAOYSA-O,C15H22NO2+,CCC(=O)C1(CC[NH+](CC1)C)c1cccc(c1)O,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3/p+1",-6.0321,-4.6361,-4.6313,-4.6155,-2.9932,-1.635,1.4446,1.4646,1.6077,1.6081,1.6082,D08101_N02AB01,00068000002000000a00060000000000000001100000000000000080000000001000500000000000100200180001000001020200002000000000000200000000080004000000004000002000028000050090015000003008c0080800000800000000002000000002000000400000000000060100020110200802004300000200,1500000402f001,0b0040020400010000000000000000000000000000010000000000000000000000000600c02a05,0000000000000120020432148ac82fc30d47ddf71f,0,6,34,1,0,3,40,41,-12.062999999999999,-3.98,0,1.0,0.001424835,-,0.2924,-,0.2924,https://www.genome.jp/dbget-bin/www_bget?dr:D08101
4113,D08343, Pethidine (INN), Phenylpiperidine derivatives,N02AB02,NERVOUS SYSTEM,c1c(cccc1)[C@@]1(CC[N@@H+](CC1)C)C(=O)OCC,248.34099999999998,2.3652,76.6917,30.74,24,1,2,XADCESSVHJOZHK-UHFFFAOYSA-O,C15H22NO2+,CCOC(=O)C1(CC[NH+](CC1)C)c1ccccc1,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/p+1",-6.0324,-4.6116,-4.6108,-4.6078,-4.4261,-2.9958,1.4668,1.5398,1.5761,1.5778,1.5907,D08343_N02AB02,000e8000002000000a00060000020000000000100002000000000080000400001000500000000001000a0018200101000102000000004004000000020000020808100c000000044000000000028000050090015000003008c0080800000800004000002000000000000000004000100000070100000110000002000100000200,0500000030f005,0b0040020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000000120020432148ad02ea701035df71f,0,6,34,1,0,4,40,41,-12.743,-3.801,0,1.0,0.00367728,-,0.2596,-,0.2596,https://www.genome.jp/dbget-bin/www_bget?dr:D08343
4114,D01383, Meperidine hydrochloride (USP), Phenylpiperidine derivatives,N02AB02,NERVOUS SYSTEM,c1c(cccc1)[C@@]1(CC[N@@H+](CC1)C)C(=O)OCC,248.34099999999998,2.3652,76.6917,30.74,24,1,2,XADCESSVHJOZHK-UHFFFAOYSA-O,C15H22NO2+,CCOC(=O)C1(CC[NH+](CC1)C)c1ccccc1,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/p+1",-6.0346,-4.6105,-4.6078,-4.6053,-4.4262,-2.992,1.4657,1.5356,1.5769,1.5776,1.5916,D01383_N02AB02,000e8000002000000a00060000020000000000100002000000000080000400001000500000000001000a0018200101000102000000004004000000020000020808100c000000044000000000028000050090015000003008c0080800000800004000002000000000000000004000100000070100000110000002000100000200,0500000030f005,0b0040020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000000120020432148ad02ea701035df71f,0,6,34,1,0,4,40,41,-12.748,-3.801,0,,0.0036764420000000003,-,0.2596,-,0.2596,https://www.genome.jp/dbget-bin/www_bget?dr:D01383
4115,D07287, Dextromoramide (BAN), Diphenylpropylamine derivatives,N02AC01,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H](C[NH+]1CCOCC1)C)C(=O)N1CCCC1,393.542,3.6534,125.104,33.98,36,1,3,INUNXTSAACVKJS-OAQYLSRUSA-O,C25H33N2O2+,CC(C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1,"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/p+1/t21-/m1/s1",-6.0166,-4.6096,-4.5502,-4.5051,-3.826,-3.6293,1.5855,1.7409999999999999,1.7863,2.3884,2.4161,D07287_N02AC01,00268000002000000b000600800200040100005000000000000000a000040000180040810000001200062418000100000102000000000000000000020000001008010c000810084000000000028000050090024000003008c0080800800820000000002100000000100000008000000000060180000110000012000000000200,0500000030f001,0f8040020400000000008000120000000000000000000000000000000000000000000600c02204,0000000000000101020436cc8af8b48309234dff1f,0,12,52,1,0,7,62,65,-12.155999999999999,-3.998,1,0.0,0.220448956,+,1.2607,-,1.2607,https://www.genome.jp/dbget-bin/www_bget?dr:D07287
4116,D07808, Dextromoramide tartrate, Diphenylpropylamine derivatives,N02AC01,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H](C[NH+]1CCOCC1)C)C(=O)N1CCCC1,393.542,3.6534,125.104,33.98,36,1,3,INUNXTSAACVKJS-OAQYLSRUSA-O,C25H33N2O2+,CC(C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1,"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/p+1/t21-/m1/s1",-6.0458,-4.5645,-4.5011,-4.4594,-3.884,-3.8494,1.5641,1.5776,1.7757,1.9517,2.4446,D07808_N02AC01,00268000002000000b000600800200040100005000000000000000a000040000180040810000001200062418000100000102000000000000000000020000001008010c000810084000000000028000050090024000003008c0080800800820000000002100000000100000008000000000060180000110000012000000000200,0500000030f001,0f8040020400000000008000120000000000000000000000000000000000000000000600c02204,0000000000000101020436cc8af8b48309234dff1f,0,12,52,1,0,7,62,65,-12.027000000000001,-4.063,1,0.0,0.22291474,+,1.2607,-,1.2607,https://www.genome.jp/dbget-bin/www_bget?dr:D07808
4117,D07288, Piritramide (INN), Diphenylpropylamine derivatives,N02AC03,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C#N)CC[N@@H+]1CC[C@@](CC1)([NH+]1CCCCC1)C(=O)N,432.601,4.696680000000001,137.09,75.76,39,3,3,IHEHEFLXQFOQJO-UHFFFAOYSA-P,C27H36N4O++,N#CC(c1ccccc1)(c1ccccc1)CC[NH+]1CCC(CC1)([NH+]1CCCCC1)C(=O)N,"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)/p+2",-6.0291,-5.9956,-4.8229,-4.8101,-4.6063,-4.5878,2.2167,2.3281,2.9475,2.9495,3.0265,D07288_N02AC03,80268000004000001a000600800000080000005000000000000000a00000000010005002010480000006003800010000010200000000000000000002000040000400040000000080000000000280000600b0035000003008e00908000008200000200021000000000000000000000000000e0100000110000006000100000200,0500000000f011,0a0040020400000000008000060000001000000000000000000000000000000000000600c02a04,000000000001312002c43a4e8ae0b08315234d2f1f,0,12,57,1,1,7,68,71,-14.198,-7.145,0,0.0,0.0009039860000000001,-,1.5490000000000002,-,1.5490000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D07288
4118,D07809, Dextropropoxyphene (INN), Diphenylpropylamine derivatives,N02AC04,NERVOUS SYSTEM,c1cccc(c1)[C@@](Cc1ccccc1)(OC(=O)CC)[C@@H](C)C[NH+](C)C,340.47900000000004,2.8584,104.48,30.74,32,1,2,XLMALTXPSGQGBX-AVRDEDQJSA-O,C22H30NO2+,CCC(=O)OC(c1ccccc1)(C(C[NH+](C)C)C)Cc1ccccc1,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/p+1/t18-,22-/m0/s1",-6.041,-4.662,-4.5688,-4.5603,-4.4767,-3.0011,1.5405,1.5692,1.5826,1.5847,1.5936,D07809_N02AC04,00070002000000400e00060000020000000000100000080000200080000400001000500080000001200a1018200101000100000000008004000000020000220808000c020000040000002900008000000090014000003008c0080800000910004000000000000000004000005000000000060100020110000002000140000000,0500000030f005,070040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001000202321409800ea60910d9f71f,0,12,43,1,0,9,55,56,-11.950999999999999,-3.9789999999999996,2,-3.0,0.036895696,+,0.5375,-,0.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D07809
4119,D00482, Propoxyphene hydrochloride (USP), Diphenylpropylamine derivatives,N02AC04,NERVOUS SYSTEM,c1cccc(c1)[C@@](Cc1ccccc1)(OC(=O)CC)[C@@H](C)C[NH+](C)C,340.47900000000004,2.8584,104.48,30.74,32,1,2,XLMALTXPSGQGBX-AVRDEDQJSA-O,C22H30NO2+,CCC(=O)OC(c1ccccc1)(C(C[NH+](C)C)C)Cc1ccccc1,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/p+1/t18-,22-/m0/s1",-6.0467,-4.6421,-4.5919,-4.5463,-4.3843,-3.0224,1.5327,1.5606,1.5748,1.5803,1.6041,D00482_N02AC04,00070002000000400e00060000020000000000100000080000200080000400001000500080000001200a1018200101000100000000008004000000020000220808000c020000040000002900008000000090014000003008c0080800000910004000000000000000004000005000000000060100020110000002000140000000,0500000030f005,070040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001000202321409800ea60910d9f71f,0,12,43,1,0,9,55,56,-11.954,-3.9789999999999996,2,2.0,0.036914017,+,0.5375,-,0.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D00482
4120,D07289, Bezitramide (INN), Diphenylpropylamine derivatives,N02AC05,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C#N)CC[N@@H+]1CC[C@@H](CC1)n1c2c(n(c1=O)C(=O)CC)cccc2,493.619,5.54218,151.47899999999998,72.23,36,1,5,FLKWNFFCSSJANB-UHFFFAOYSA-O,C31H33N4O2+,CCC(=O)n1c(=O)n(c2c1cccc2)C1CC[NH+](CC1)CCC(c1ccccc1)(c1ccccc1)C#N,"InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3/p+1",-6.0293,-4.6323,-4.6018,-4.5758,-4.5246,-3.7907,1.5926,1.6029,1.6807,1.6887,1.7868,D07289_N02AC05,80260000000008401b004600800000000000005000000000000000e000000000100070000104802130060018000100c00102000000006000000000020000d30004100c00c00030000000c40102900000009001500c80300df00908800009200400200021000000008040000040000c00000f0100800110000006000102000000,0500000000f011,0b0040020400000000008000120000001040040000008900000000000000000000004640c02a05,000000001001012003d4368d9be3b3c399e36def1f,0,22,49,2,1,8,70,74,-11.677999999999999,-3.818,0,0.0,0.622038066,-,2.0563,-,2.0563,https://www.genome.jp/dbget-bin/www_bget?dr:D07289
4121,D00498, Pentazocine (JP17/USP/INN), Benzomorphan derivatives,N02AD01,NERVOUS SYSTEM,[C@@]12(c3cc(ccc3C[C@H]([C@@H]1C)[N@H+](CC2)CC=C(C)C)O)C,286.432,4.0347,94.2287,24.67,29,2,1,VOKSWYLNZZRQPF-GDIGMMSISA-O,C19H28NO+,CC(=CC[NH+]1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/p+1/t14-,18+,19+/m0/s1",-6.0446,-5.8236,-4.5974,-4.4548,-1.7747,-0.9925,1.5702,1.5744,1.617,1.7713,1.8246,D00498_N02AD01,00260002000002040a000600020000040000001000005a0001000080000000001000508100400000100020180001000001020200002000000001000200020020080004022000000000002100020000000080815000003008c0080800800800000104002000001002020000402000000000060100020110200882004300000000,0100000402f001,1f004002040000000000000000000000000000000001000000000000000000000000c600c02204,0000000000000300020e32049ec92dc305d7fdbd1f,0,6,44,1,0,2,49,51,-12.097999999999999,-3.4610000000000003,4,,0.000699396,-,0.8755,-,0.8755,https://www.genome.jp/dbget-bin/www_bget?dr:D00498
4122,D02111, Pentazocine lactate (USP), Benzomorphan derivatives,N02AD01,NERVOUS SYSTEM,[C@@]12(c3cc(ccc3C[C@H]([C@@H]1C)[N@H+](CC2)CC=C(C)C)O)C,286.432,4.0347,94.2287,24.67,29,2,1,VOKSWYLNZZRQPF-GDIGMMSISA-O,C19H28NO+,CC(=CC[NH+]1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/p+1/t14-,18+,19+/m0/s1",-6.0445,-5.8229999999999995,-4.5971,-4.4573,-1.7761,-0.9904,1.5719,1.5754,1.6176,1.7721,1.8232,D02111_N02AD01,00260002000002040a000600020000040000001000005a0001000080000000001000508100400000100020180001000001020200002000000001000200020020080004022000000000002100020000000080815000003008c0080800800800000104002000001002020000402000000000060100020110200882004300000000,0100000402f001,1f004002040000000000000000000000000000000001000000000000000000000000c600c02204,0000000000000300020e32049ec92dc305d7fdbd1f,0,6,44,1,0,2,49,51,-12.100999999999999,-3.4789999999999996,4,,0.0007008089999999999,-,0.8755,-,0.8755,https://www.genome.jp/dbget-bin/www_bget?dr:D02111
4123,D02227, Pentazocine hydrochloride (JAN/USP), Benzomorphan derivatives,N02AD01,NERVOUS SYSTEM,[C@@]12(c3cc(ccc3C[C@H]([C@@H]1C)[N@H+](CC2)CC=C(C)C)O)C,286.432,4.0347,94.2287,24.67,29,2,1,VOKSWYLNZZRQPF-GDIGMMSISA-O,C19H28NO+,CC(=CC[NH+]1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/p+1/t14-,18+,19+/m0/s1",-6.0443,-5.8265,-4.5942,-4.4598,-1.7737,-0.9914,1.5719999999999998,1.5746,1.6184,1.7747,1.8223,D02227_N02AD01,00260002000002040a000600020000040000001000005a0001000080000000001000508100400000100020180001000001020200002000000001000200020020080004022000000000002100020000000080815000003008c0080800800800000104002000001002020000402000000000060100020110200882004300000000,0100000402f001,1f004002040000000000000000000000000000000001000000000000000000000000c600c02204,0000000000000300020e32049ec92dc305d7fdbd1f,0,6,44,1,0,2,49,51,-12.099,-3.4789999999999996,4,,0.000701723,-,0.8755,-,0.8755,https://www.genome.jp/dbget-bin/www_bget?dr:D02227
4124,D07132, Buprenorphine (JAN/INN), Oripavine derivatives,N02AE01,NERVOUS SYSTEM,[C@@]123[C@]45[C@@H]([N@@H+](CC3)CC3CC3)Cc3c2c(O[C@H]1[C@@]([C@H](C4)[C@@](C)(C(C)(C)C)O)(CC5)OC)c(cc3)O,468.648,4.5659,137.804,63.36,46,3,4,RMRJXGBAOAMLHD-UPOBUEHXSA-O,C29H42NO4+,COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3[NH+](CC1)CC1CC1)ccc2O,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/p+1/t20-,21+,24-,26+,27+,28+,29+/m1/s1",-6.0405,-5.4208,-4.6009,-4.4792,-1.9068,-1.5907,1.5914,1.6119999999999999,1.6452,1.7422,1.9356,D07132_N02AE01,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020002204817008000220002800818a00c02210024118000a021024080004080815000003008c0180801902800004102002000100002020000c261103800000721000a0510200802004300100004,0100004c72f001,0fc842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200000000101820636979ac9a9e30ddffffd1f,0,6,76,0,0,5,76,82,-11.890999999999998,-3.635,8,1.0,0.140654907,+,4.1932,-,4.1932,https://www.genome.jp/dbget-bin/www_bget?dr:D07132
4125,D07132, Buprenorphine (JAN/INN), Drugs used in opioid dependence,N07BC01,NERVOUS SYSTEM,[C@@]123[C@]45[C@@H]([N@@H+](CC3)CC3CC3)Cc3c2c(O[C@H]1[C@@]([C@H](C4)[C@@](C)(C(C)(C)C)O)(CC5)OC)c(cc3)O,468.648,4.5659,137.804,63.36,46,3,4,RMRJXGBAOAMLHD-UPOBUEHXSA-O,C29H42NO4+,COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3[NH+](CC1)CC1CC1)ccc2O,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/p+1/t20-,21+,24-,26+,27+,28+,29+/m1/s1",-6.044,-5.4159,-4.6166,-4.5021,-1.9056,-1.5902,1.6059999999999999,1.6207,1.6544,1.7393,1.9418,D07132_N07BC01,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020002204817008000220002800818a00c02210024118000a021024080004080815000003008c0180801902800004102002000100002020000c261103800000721000a0510200802004300100004,0100004c72f001,0fc842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200000000101820636979ac9a9e30ddffffd1f,0,6,76,0,0,5,76,82,-11.890999999999998,-3.635,8,1.0,0.140654907,+,4.1932,-,4.1932,https://www.genome.jp/dbget-bin/www_bget?dr:D07132
4126,D00836, Buprenorphine hydrochloride (JP17/USP), Oripavine derivatives,N02AE01,NERVOUS SYSTEM,[C@@]123[C@]45[C@@H]([N@@H+](CC3)CC3CC3)Cc3c2c(O[C@H]1[C@@]([C@H](C4)[C@@](C)(C(C)(C)C)O)(CC5)OC)c(cc3)O,468.648,4.5659,137.804,63.36,46,3,4,RMRJXGBAOAMLHD-UPOBUEHXSA-O,C29H42NO4+,COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3[NH+](CC1)CC1CC1)ccc2O,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/p+1/t20-,21+,24-,26+,27+,28+,29+/m1/s1",-6.0395,-5.4189,-4.6214,-4.5177,-1.9032,-1.5812,1.5672,1.6236,1.7029,1.7358,1.9068,D00836_N02AE01,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020002204817008000220002800818a00c02210024118000a021024080004080815000003008c0180801902800004102002000100002020000c261103800000721000a0510200802004300100004,0100004c72f001,0fc842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200000000101820636979ac9a9e30ddffffd1f,0,6,76,0,0,5,76,82,-11.887,-3.636,8,,0.140651435,+,4.1932,-,4.1932,https://www.genome.jp/dbget-bin/www_bget?dr:D00836
4127,D00836, Buprenorphine hydrochloride (JP17/USP), Drugs used in opioid dependence,N07BC01,NERVOUS SYSTEM,[C@@]123[C@]45[C@@H]([N@@H+](CC3)CC3CC3)Cc3c2c(O[C@H]1[C@@]([C@H](C4)[C@@](C)(C(C)(C)C)O)(CC5)OC)c(cc3)O,468.648,4.5659,137.804,63.36,46,3,4,RMRJXGBAOAMLHD-UPOBUEHXSA-O,C29H42NO4+,COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3[NH+](CC1)CC1CC1)ccc2O,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/p+1/t20-,21+,24-,26+,27+,28+,29+/m1/s1",-6.0428,-5.4216,-4.6314,-4.5097,-1.9022,-1.5807,1.571,1.6245,1.6938,1.7416,1.9167,D00836_N07BC01,402f0000000002000ac80700020300040000801000021200010000c000000000100450894040000510002018000100000102020002204817008000220002800818a00c02210024118000a021024080004080815000003008c0180801902800004102002000100002020000c261103800000721000a0510200802004300100004,0100004c72f001,0fc842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200000000101820636979ac9a9e30ddffffd1f,0,6,76,0,0,5,76,82,-11.887,-3.636,8,,0.140651435,+,4.1932,-,4.1932,https://www.genome.jp/dbget-bin/www_bget?dr:D00836
4128,D03197, Butorphanol (USAN/INN), Morphinan derivatives,N02AF01,NERVOUS SYSTEM,[C@@]123[C@]([C@H]([N@@H+](CC2)CC2CCC2)Cc2c1cc(cc2)O)(CCCC3)O,328.468,3.5177,101.288,44.9,32,3,2,IFKLAQQSCNILHL-QHAWAJNXSA-O,C21H30NO2+,Oc1ccc2c(c1)C13CCCCC3(C(C2)[NH+](CC1)CC1CCC1)O,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/p+1/t19-,20+,21-/m1/s1",-6.0249,-4.624,-4.5437,-4.4971,-2.0301,-1.8963,1.4216,1.4616,1.5675,1.5802,1.6222,D03197_N02AF01,002e0000000002000a0806000200000400000010000012000100008000000000100050814040000310002018000100000102020000204002000000020002001808000c0220000c001000a000020000000080815000003008c008080080080000010000200010000202000040e100180000060100020510200802004300000000,0100004c02f001,0e4840020400000000000000000000000000000000010000000000000000000000006600c02204,0004000000002100020432469ac121c30dc7cd7d1f,0,6,52,0,0,2,54,58,-12.083,-3.637,4,0.0,0.0031763240000000003,+,1.7543,-,1.7543,https://www.genome.jp/dbget-bin/www_bget?dr:D03197
4129,D00837, Butorphanol tartrate (JAN/USP), Morphinan derivatives,N02AF01,NERVOUS SYSTEM,[C@@]123[C@]([C@H]([N@@H+](CC2)CC2CCC2)Cc2c1cc(cc2)O)(CCCC3)O,328.468,3.5177,101.288,44.9,32,3,2,IFKLAQQSCNILHL-QHAWAJNXSA-O,C21H30NO2+,Oc1ccc2c(c1)C13CCCCC3(C(C2)[NH+](CC1)CC1CCC1)O,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/p+1/t19-,20+,21-/m1/s1",-6.0182,-4.6426,-4.5557,-4.4603,-2.0245,-1.8966,1.4357,1.4418,1.5586,1.5843,1.6228,D00837_N02AF01,002e0000000002000a0806000200000400000010000012000100008000000000100050814040000310002018000100000102020000204002000000020002001808000c0220000c001000a000020000000080815000003008c008080080080000010000200010000202000040e100180000060100020510200802004300000000,0100004c02f001,0e4840020400000000000000000000000000000000010000000000000000000000006600c02204,0004000000002100020432469ac121c30dc7cd7d1f,0,6,52,0,0,2,54,58,-12.085,-3.636,4,0.0,0.0031743279999999997,+,1.7543,-,1.7543,https://www.genome.jp/dbget-bin/www_bget?dr:D00837
4130,D08246, Nalbuphine (INN), Morphinan derivatives,N02AF02,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CCC1)O)O,358.45099999999996,1.8594,102.021,74.36,32,4,4,NETZHAKZCGBWSS-CEDHKZHLSA-O,C21H28NO4+,OC1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CCC2)ccc1O)O,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/p+1/t15-,16+,19-,20-,21+/m0/s1",-6.0334,-4.5869,-4.5558,-4.5042,-2.0444,-1.9276,1.4606,1.5606,1.5836,1.6081,1.8991,D08246_N02AF02,402f0000000002000ac80700020300040000801000021200010000c0000000001004508b4040000710002018000100000102020000204807008000220002801818a00c0221002c119000a023024080004081815000003008c0180801900800004182002000100002020000c2e1103800000721000a0510200802004300100004,0100006c52f001,0e6842020400000000000000000000000000000000010000000000000000000000006600c02204,0004000000002101820436c79ac1a1c30dcfcf7d1f,0,6,53,0,0,2,54,59,-11.72,-3.653,6,1.0,0.007522519,+,2.7596,-,2.7596,https://www.genome.jp/dbget-bin/www_bget?dr:D08246
4131,D00843, Nalbuphine hydrochloride (USAN), Morphinan derivatives,N02AF02,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CCC1)O)O,358.45099999999996,1.8594,102.021,74.36,32,4,4,NETZHAKZCGBWSS-CEDHKZHLSA-O,C21H28NO4+,OC1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CCC2)ccc1O)O,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/p+1/t15-,16+,19-,20-,21+/m0/s1",-6.0325,-4.5899,-4.5562,-4.5054,-2.044,-1.9279,1.4597,1.5614,1.5838,1.6096,1.8902,D00843_N02AF02,402f0000000002000ac80700020300040000801000021200010000c0000000001004508b4040000710002018000100000102020000204807008000220002801818a00c0221002c119000a023024080004081815000003008c0180801900800004182002000100002020000c2e1103800000721000a0510200802004300100004,0100006c52f001,0e6842020400000000000000000000000000000000010000000000000000000000006600c02204,0004000000002101820436c79ac1a1c30dcfcf7d1f,0,6,53,0,0,2,54,59,-11.72,-3.6519999999999997,6,0.0,0.00751696,+,2.7596,-,2.7596,https://www.genome.jp/dbget-bin/www_bget?dr:D00843
4132,D08597, Tilidine (INN), Other opioids,N02AX01,NERVOUS SYSTEM,C1=CCC[C@@]([C@@H]1[NH+](C)C)(c1ccccc1)C(=O)OCC,274.378,1.3506,82.2117,30.74,26,1,2,WDEFBBTXULIOBB-WBVHZDCISA-O,C17H24NO2+,CCOC(=O)C1(CCC=CC1[NH+](C)C)c1ccccc1,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/p+1/t15-,17+/m1/s1",-6.0409,-5.6856,-4.6257,-4.5834,-4.4455,-2.9862,1.6002,1.6012,1.7799,1.8137,1.9962,D08597_N02AX01,00060100002000040200068000020004000000900040400000200080000420001000508180800001000a201820010100012000021020c104200100020000a2280811080000040440000029000081020d0090014000003008ca881800000800004204000000000000000000004000080000071180020110000080008110000100,0500000030f005,1b0040020400000000009000000000000000000000000000000000000000000000000200c32204,000000000000012002023016059822a610107dff1f,0,6,37,2,0,5,44,45,-12.948,-3.676,2,3.0,0.004526306,-,0.2835,-,0.2835,https://www.genome.jp/dbget-bin/www_bget?dr:D08597
4133,D06147, Tilidine hydrochloride (USAN), Other opioids,N02AX01,NERVOUS SYSTEM,C1=CCC[C@@]([C@@H]1[NH+](C)C)(c1ccccc1)C(=O)OCC,274.378,1.3506,82.2117,30.74,26,1,2,WDEFBBTXULIOBB-WBVHZDCISA-O,C17H24NO2+,CCOC(=O)C1(CCC=CC1[NH+](C)C)c1ccccc1,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/p+1/t15-,17+/m1/s1",-6.032,-5.7011,-4.6222,-4.5686,-4.3344,-3.0022,1.5896,1.7855,1.8246,1.8733,1.994,D06147_N02AX01,00060100002000040200068000020004000000900040400000200080000420001000508180800001000a201820010100012000021020c104200100020000a2280811080000040440000029000081020d0090014000003008ca881800000800004204000000000000000000004000080000071180020110000080008110000100,0500000030f005,1b0040020400000000009000000000000000000000000000000000000000000000000200c32204,000000000000012002023016059822a610107dff1f,0,6,37,2,0,5,44,45,-12.944,-3.677,2,1.0,0.004523662,-,0.2835,-,0.2835,https://www.genome.jp/dbget-bin/www_bget?dr:D06147
4134,D08623, Tramadol (INN), Other opioids,N02AX02,NERVOUS SYSTEM,[C@]1(c2cc(ccc2)OC)([C@H](CCCC1)C[NH+](C)C)O,264.383,1.2175,79.4405,33.9,28,2,2,TVYLLZQTGLZFBW-ZBFHGGJFSA-O,C16H26NO2+,COc1cccc(c1)C1(O)CCCCC1C[NH+](C)C,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1",-6.0482,-4.6224,-4.606,-4.5647,-2.8828,-1.7992,1.4636,1.4639,1.5695,1.5792,1.6004,D08623_N02AX02,00060000000002400a000600020200000000001000000000000000800000000010005000800000013000001800010000010202000020c802000000020000000008000c00050000010000a020020000000080014000003008c00808000009000000000000000000020040004000100800000601000a0110200802004b00000000,0100004c50f001,064842020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000112002023216898825e20d54fdf51f,0,6,40,0,0,4,45,46,-11.937999999999999,-3.84,2,1.0,0.0043432340000000005,-,0.6673,-,0.6673,https://www.genome.jp/dbget-bin/www_bget?dr:D08623
4135,D01355, Tramadol hydrochloride (JAN/USAN), Other opioids,N02AX02,NERVOUS SYSTEM,[C@]1(c2cc(ccc2)OC)([C@H](CCCC1)C[NH+](C)C)O,264.383,1.2175,79.4405,33.9,28,2,2,TVYLLZQTGLZFBW-ZBFHGGJFSA-O,C16H26NO2+,COc1cccc(c1)C1(O)CCCCC1C[NH+](C)C,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1",-6.0474,-4.6225,-4.6043,-4.5614,-2.8859,-1.7507,1.4639,1.4674,1.5669,1.5792,1.5964,D01355_N02AX02,00060000000002400a000600020200000000001000000000000000800000000010005000800000013000001800010000010202000020c802000000020000000008000c00050000010000a020020000000080014000003008c00808000009000000000000000000020040004000100800000601000a0110200802004b00000000,0100004c50f001,064842020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000112002023216898825e20d54fdf51f,0,6,40,0,0,4,45,46,-11.931,-3.838,2,,0.004343421,-,0.6673,-,0.6673,https://www.genome.jp/dbget-bin/www_bget?dr:D01355
4136,D00838, Dezocine (USAN), Other opioids,N02AX03,NERVOUS SYSTEM,Oc1ccc2c(c1)[C@@]1([C@@H]([C@H](C2)CCCCC1)[NH3+])C,246.368,2.3968,76.4731,47.87,25,2,1,VTMVHDZWSFQSQP-APHBMKBZSA-O,C16H24NO+,Oc1ccc2c(c1)C1(C)CCCCCC(C2)C1[NH3+],"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/p+1/t12-,15+,16+/m0/s1",-5.409,-5.3814,-5.3565,-4.132,-0.7185,-0.6732,1.5072,1.5484,1.5691,1.7729,1.7744,D00838_N02AX03,00040000000002000a00060002000004000000000000120001000080000000001000408100400000100000180001000001020200002000000000000200020000080000022000000000002000020000000080814000001008c0080800000800000100000000000002020000c02000000000060100020100200802004300000000,0100000402f001,0f00c000040000000000000000000000000000000001000000000000000000000000c200c00204,00000000000001000200000610892dc015c4e5b81f,0,6,38,0,0,0,42,44,-12.536,-3.543,3,4.0,0.000755983,-,1.1544,-,1.1544,https://www.genome.jp/dbget-bin/www_bget?dr:D00838
4137,D08182, Meptazinol (INN), Other opioids,N02AX05,NERVOUS SYSTEM,C1[N@H+](C[C@](CCC1)(CC)c1cc(ccc1)O)C,234.357,3.3078,77.4297,24.67,25,2,1,JLICHNCFTLFZJN-OAHLLOKOSA-O,C15H24NO+,CCC1(CCCC[NH+](C1)C)c1cccc(c1)O,"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3/p+1/t15-/m1/s1",-6.0352,-4.6366,-4.6158,-4.577,-0.9433,-0.7444,1.4089,1.425,1.4468,1.6318,1.6369,D08182_N02AX05,00260000000002000200060002000004000000100000000000000080000000001000508100000000100020180001000001020280002000000000000200000000080000000000000000002000020000000080014000003008c0080800800800000000002000000002000000c00000000000060100020110200800004300000000,0100000402f001,0b0040020400000000000000000000000000000000010000000000000000000000000600c02204,00000400000001200204321688c82fc30547dcb51f,0,6,36,0,0,2,41,42,-12.085999999999999,-3.775,2,0.0,0.002468933,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D08182
4138,D04924, Meptazinol hydrochloride (USAN), Other opioids,N02AX05,NERVOUS SYSTEM,C1[N@H+](C[C@@](CCC1)(CC)c1cc(ccc1)O)C,234.357,3.3078,77.4297,24.67,25,2,1,JLICHNCFTLFZJN-HNNXBMFYSA-O,C15H24NO+,CCC1(CCCC[NH+](C1)C)c1cccc(c1)O,"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3/p+1/t15-/m0/s1",-6.0399,-4.6345,-4.6105,-4.6077,-0.9936,-0.7455,1.4240000000000002,1.4281,1.4419,1.6311,1.6342,D04924_N02AX05,00260000000002000200060002000004000000100000000000000080000000001000508100000000100020180001000001020280002000000000000200000000080000000000000000002000020000000080014000003008c0080800800800000000002000000002000000c00000000000060100020110200800004300000000,0100000402f001,0b0040020400000000000000000000000000000000010000000000000000000000000600c02204,00000400000001200204321688c82fc30547dcb51f,0,6,36,0,0,2,41,42,-12.439,-3.784,2,0.0,0.0026708609999999996,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D04924
4139,D06007, Tapentadol (USAN/INN), Other opioids,N02AX06,NERVOUS SYSTEM,c1(cccc(c1)[C@@H]([C@H](C[NH+](C)C)C)CC)O,222.34599999999998,1.6664,71.2337,24.67,25,2,1,KWTWDQCKEHXFFR-SMDDNHRTSA-O,C14H24NO+,CCC(C(C[NH+](C)C)C)c1cccc(c1)O,"InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/p+1/t11-,14+/m0/s1",-6.0586,-4.62,-4.6056,-4.5985,-1.0782,-0.9124,1.4280000000000002,1.4562,1.4856,1.5836,1.5928,D06007_N02AX06,00060000000000000a00060000000000000000100000000000000080000000001000500000000000000000180001000001020200000000000000000200000000080004000000000000000000020000000080014000003008c0080800000800000000000000000002000000400000000000060100000110200802004300000000,0100000402f001,070040020400000000000000000000000000000000010000000000000000000000000200c02204,00000000000001000002321408080f420554d8b51f,0,6,34,0,0,5,40,40,-11.687999999999999,-3.975,2,1.0,0.0008689230000000001,-,0.5508,-,0.5508,https://www.genome.jp/dbget-bin/www_bget?dr:D06007
4140,D00810, Choline salicylate (JAN/USAN/INN), Salicylic acid and derivatives,N02BA03,NERVOUS SYSTEM,c1(c(cccc1)O)C(=O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.3959,-4.2593,-2.3040000000000003,-1.6575,-1.3385,-1.2035,1.0525,1.0543,1.2628,1.9522,2.3445,D00810_N02BA03,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-5.018,4.052,0,1.0,5.7173699999999997e-08,-,0.2088,-,0.2088,https://www.genome.jp/dbget-bin/www_bget?dr:D00810
4141,D00566, Sodium salicylate (JP17/USP), Salicylic acid and derivatives,N02BA04,NERVOUS SYSTEM,c1(c(cccc1)O)C(=O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.3959,-4.2593,-2.3040000000000003,-1.6575,-1.3385,-1.2035,1.0525,1.0543,1.2628,1.9522,2.3445,D00566_N02BA04,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-5.018,4.05,0,0.0,5.71524e-08,-,0.2088,-,0.2088,https://www.genome.jp/dbget-bin/www_bget?dr:D00566
4142,D01811, Salicylamide (JAN/USP/INN), Salicylic acid and derivatives,N02BA05,NERVOUS SYSTEM,c1cccc(c1C(=O)N)O,137.136,1.1914,36.5599,63.32,10,2,3,SKZKKFZAGNVIMN-UHFFFAOYSA-N,C7H7NO2,NC(=O)c1ccccc1O,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",-4.5957,-4.2241,-4.2015,-3.64,-1.5168,-1.4395,1.0435,1.1236,1.3969999999999998,1.4119,2.3099,D01811_N02BA05,0000000000000480000006000000000000000000000000000000008000000000040040000000000000860208000000000000020000000000000000020000000008200000000000000000000002880000008000400000000040080000000000000014000000000002000002000000000000060100000100200808000000000000,0400000402b001,00000000000000000000800006000000c001000000010000000000000000000000000240403800,0000000000001000000008090120114004c4e07a1f,0,6,10,1,0,1,17,17,-9.801,-0.09,0,,0.008992515,-,0.2072,-,0.2072,https://www.genome.jp/dbget-bin/www_bget?dr:D01811
4143,D00428, Salsalate (USP/INN), Salicylic acid and derivatives,N02BA06,NERVOUS SYSTEM,c1(c(cccc1)C(=O)O)OC(=O)c1c(cccc1)O,258.226,2.3096,66.8248,83.83,14,2,5,WVYADZUPLLSGPU-UHFFFAOYSA-N,C14H10O5,Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",-4.3948,-4.2651,-4.2572,-1.9535,-1.6879,-1.5262,1.369,1.3703,1.6132,1.715,2.3262,D00428_N02BA06,00000010004000c00000020000030000010000000008000000200080004000000410c00000000010200a020800000000000042000000000000800002000802000c200802010001010000010002808002208000400000000040080000000100000028000000000002004002000010000000020100080100200808000000000004,0400000c52b007,00000000000000000000980000000000c001000000010000000000000000000000000240403800,0000000000000000000000010000016484cca3521e,0,12,16,2,0,4,29,30,-4.83,2.247,0,1.0,1.0905399999999999e-05,-,0.4112,-,0.4112,https://www.genome.jp/dbget-bin/www_bget?dr:D00428
4144,D01466, Ethenzamide (JP17/INN), Salicylic acid and derivatives,N02BA07,NERVOUS SYSTEM,c1cccc(c1C(=O)N)OCC,165.18900000000002,1.8845,45.8359,52.32,14,1,3,SBNKFTQSBPKMBZ-UHFFFAOYSA-N,C9H11NO2,CCOc1ccccc1C(=O)N,"InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",-4.5837,-4.2211,-4.2126,-3.6525,-1.224,-1.0242,0.7411,1.1286,1.3940000000000001,1.4148,1.5466,D01466_N02BA07,0000000000000480000006000003000000000000000800000000008000000000040040000000000000860208400000000000020000000000008000020000000008200800010000010000000002888000208000400000000040080000000000000014000000000002000102000010000000060100080100200808000000000004,0400000050b001,010002000000000000008000060000004001000000000000000000000000000000000240402800,0000000000000000000008090130136000c0e0ff1f,0,6,16,1,0,3,23,23,-9.655,0.025,0,,0.044477015999999994,-,0.1982,-,0.1982,https://www.genome.jp/dbget-bin/www_bget?dr:D01466
4145,D07290, Dipyrocetyl (INN), Salicylic acid and derivatives,N02BA09,NERVOUS SYSTEM,c1(cccc(c1OC(=O)C)C(=O)O)OC(=O)C,238.19299999999998,1.2354,56.3993,89.9,15,1,6,NYIZXMGNIUSNKL-UHFFFAOYSA-N,C11H10O6,CC(=O)Oc1c(cccc1C(=O)O)OC(=O)C,"InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)",-4.4266,-4.4158,-4.3927,-4.3183,-2.0216,-1.8912,1.3356,1.4921,1.56,1.9855,2.4088,D07290_N02BA09,00000010004000c00800020000030000050000000008000000000080000000020400400000000010200a020800000000000242000000080000800002000002000ca00822054001018000000002c28002208000400000000040080000000100000008000000000002004002000010000000022100080100200808004800000004,0400000c50b007,010000000000000000009800000000004001000000000000000000000000000000000240402801,0000000000000000800000010000016480ccb2d21e,0,6,18,3,0,5,27,27,-4.812,3.2680000000000002,0,0.0,2.0350700000000002e-06,-,0.6943,-,0.6943,https://www.genome.jp/dbget-bin/www_bget?dr:D07290
4146,D07291, Benorilate (INN), Salicylic acid and derivatives,N02BA10,NERVOUS SYSTEM,c1(ccccc1C(=O)Oc1ccc(cc1)NC(=O)C)OC(=O)C,313.305,2.8625,83.6542,81.7,21,1,6,FEJKLNWAOXSSNR-UHFFFAOYSA-N,C17H15NO5,CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,"InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)",-4.4294,-4.2479,-3.8092,-3.2404,-2.8792,-1.5819999999999999,0.8145,0.8185,1.0390000000000001,1.4768,1.4788,D07291_N02BA10,00020010004000c00100060000830000810000000008040000200080000000000410c00000200030200e020800001040000042000000000800800002000806000c200802410001010000110022808002208000400400280040080000000100000828000000000002004002000010000000060100080100200808000002400004,0400000050b005,0100000000000000000090000a0000004001000000000000000000000000000000000240402801,00000000000000000000000900201164d0c8f3fa1f,0,12,24,3,0,7,38,39,-9.343,-0.637,0,1.0,0.225015357,-,0.8359,-,0.8359,https://www.genome.jp/dbget-bin/www_bget?dr:D07291
4147,D00130, Diflunisal (JAN/USP/INN), Salicylic acid and derivatives,N02BA11,NERVOUS SYSTEM,c1c(cc(c(c1)c1ccc(c(c1)C(=O)O)O)F)F,250.19799999999998,3.0356,60.7763,57.53,10,2,3,HUPFGZXOMWLGNK-UHFFFAOYSA-N,C13H8F2O3,Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",-4.3991,-4.2542,-2.3014,-1.6598,-1.3377,-1.2037,1.0532,1.0553,1.2622,1.9526,2.3435,D00130_N02BA11,00020000000000c00080020000400110410000000000020000000080000000000400400000000010200a0208000000000000124000000004001000020002020008200808000000000010000012800000008000c00000000040080100000100000008000000000002104002000100800000020102000110200808000000200000,0400000c02b003,00000000000000000000880000000000c001000000090000000000000000000000000240403800,0000000000021020000040010004014424c4a3521e,2,12,14,1,0,2,26,27,-4.641,2.199,0,0.0,2.19154e-05,-,0.4593,-,0.4593,https://www.genome.jp/dbget-bin/www_bget?dr:D00130
4148,D07292, Guacetisal (INN), Salicylic acid and derivatives,N02BA14,NERVOUS SYSTEM,c1(ccccc1C(=O)Oc1ccccc1OC)OC(=O)C,286.279,2.8397,75.8335,61.83,19,0,5,HSJFYRYGGKLQBT-UHFFFAOYSA-N,C16H14O5,COc1ccccc1OC(=O)c1ccccc1OC(=O)C,"InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3",-4.4211,-4.2272,-1.6603,-1.5904,-1.5408,-1.2267,0.8173,0.8182,0.8495,0.9192,1.2026,D07292_N02BA14,00000010004000c00800020000830000050000000008000000200080000000020410c00000000010200a020800000000000042000000400000800002000802000ca00802010001010000010002c08002208000400000000040080000000100000028000000000002004002000010000000022100080100200808000000000004,04000000503005,010002000000000000009000000000004001000000000000000000000000000000000240402801,0000000000000000800000110000016480c8b3d21e,0,12,22,2,0,6,35,36,-9.677999999999999,-0.509,0,0.0,0.22406531899999999,+,0.5885,-,0.5885,https://www.genome.jp/dbget-bin/www_bget?dr:D07292
4149,D07293, Imidazole salicylate (INN), Salicylic acid and derivatives,N02BA16,NERVOUS SYSTEM,c1cccc(c1C(=O)O)O,138.121,1.0904,35.4243,57.53,8,2,3,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,OC(=O)c1ccccc1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",-4.396,-4.2592,-2.3039,-1.6574,-1.3385,-1.2035,1.0525,1.0542,1.2628,1.9521,2.3445,D07293_N02BA16,00000000000000c00000020000000000000000000000000000000080000000000400400000000000200a0208000000000000020000000000000000020000000008200800000000000000000002800000008000400000000040080000000100000008000000000002004002000000000000020100000100200808000000000000,0400000c02b003,00000000000000000000880000000000c001000000010000000000000000000000000240403800,0000000000001000000000010000014404c4a2521e,0,6,9,1,0,1,16,16,-4.4110000000000005,4.02,0,1.0,1.13303e-08,-,0.22699999999999998,-,0.22699999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D07293
4150,D01776, Antipyrine (JP17/USP), Pyrazolones,N02BB01,NERVOUS SYSTEM,c1cccc(c1)n1n(C)c(cc1=O)C,188.226,1.4844,56.257,26.93,13,0,3,VEQOALNAAJBPNY-UHFFFAOYSA-N,C11H12N2O,O=c1cc(n(n1c1ccccc1)C)C,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",-4.1411,-1.8823,-1.7644,-0.9939,-0.8129,-0.6608,0.4804,0.5396,0.5883,0.7737,0.9488,D01776_N02BB01,a00600800000064008004600040100040008080020000200000000c00000000000003083000880202880011880000040000022000000400000808002000080000c200c004000000000004000008880000080004004000001c0080180040100060010000002000400024000000000080100060100000100200802000006000004,00000000003001,010000000000000000008000200000004003000000008900000000000000000000000640403000,0000000000000820018404f80120914b50e138aa1f,0,11,15,1,0,1,26,27,-8.732000000000001,0.154,0,2.0,0.019739861,+,0.3012,-,0.3012,https://www.genome.jp/dbget-bin/www_bget?dr:D01776
4151,D01776, Antipyrine (JP17/USP), Analgesics and anesthetics,S02DA03,SENSORY ORGANS,c1cccc(c1)n1n(C)c(cc1=O)C,188.226,1.4844,56.257,26.93,13,0,3,VEQOALNAAJBPNY-UHFFFAOYSA-N,C11H12N2O,O=c1cc(n(n1c1ccccc1)C)C,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",-4.1411,-1.8823,-1.7644,-0.9939,-0.8129,-0.6608,0.4804,0.5396,0.5883,0.7737,0.9488,D01776_S02DA03,a00600800000064008004600040100040008080020000200000000c00000000000003083000880202880011880000040000022000000400000808002000080000c200c004000000000004000008880000080004004000001c0080180040100060010000002000400024000000000080100060100000100200802000006000004,00000000003001,010000000000000000008000200000004003000000008900000000000000000000000640403000,0000000000000820018404f80120914b50e138aa1f,0,11,15,1,0,1,26,27,-8.732000000000001,0.154,0,2.0,0.019739861,+,0.3012,-,0.3012,https://www.genome.jp/dbget-bin/www_bget?dr:D01776
4152,D08190, Dipyrone (BAN), Pyrazolones,N02BB02,NERVOUS SYSTEM,c1cccc(c1)n1n(C)c(c(c1=O)N(C)CS(=O)(=O)O)C,311.357,1.8467,80.9998,92.92,21,1,7,LVWZTYCIRDMTEY-UHFFFAOYSA-N,C13H17N3O4S,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)",-8.9393,-8.8625,-8.3951,-5.737,-4.1287,-3.8207,2.4115,2.4934,2.6027,2.6249,4.6543,D08190_N02BB02,a0070380000006400a004600060300048018080020800200000000c00200401000003083004880202880011882000042022022000110400101828002000080800c200c00400002800200480000888000808000400c202801c80801810401000600120000028004000640000004000a0120065100000109200802008806100005,0000000000b021,010000000000000000008000200000004003000000008900000022000000000000000640403800,00000008c0c04c3a15c5b4f8a9aa954bdafd3aef1f,0,11,25,3,0,4,38,39,-4.784,2.182,0,1.0,1.2357200000000001e-05,+,0.7016,-,0.7016,https://www.genome.jp/dbget-bin/www_bget?dr:D08190
4153,D01762, Dipyrone (USAN), Pyrazolones,N02BB02,NERVOUS SYSTEM,c1cccc(c1)n1n(C)c(c(c1=O)N(C)CS(=O)(=O)O)C,311.357,1.8467,80.9998,92.92,21,1,7,LVWZTYCIRDMTEY-UHFFFAOYSA-N,C13H17N3O4S,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)",-8.9494,-8.871,-8.3977,-5.7633,-4.1259,-3.8344,2.4979,2.5813,2.6184,2.8199,4.6348,D01762_N02BB02,a0070380000006400a004600060300048018080020800200000000c00200401000003083004880202880011882000042022022000110400101828002000080800c200c00400002800200480000888000808000400c202801c80801810401000600120000028004000640000004000a0120065100000109200802008806100005,0000000000b021,010000000000000000008000200000004003000000008900000022000000000000000640403800,00000008c0c04c3a15c5b4f8a9aa954bdafd3aef1f,0,11,25,3,0,4,38,39,-4.793,2.189,0,-1.0,1.23554e-05,+,0.7016,-,0.7016,https://www.genome.jp/dbget-bin/www_bget?dr:D01762
4154,D00556, Aminopyrine (JAN), Pyrazolones,N02BB03,NERVOUS SYSTEM,c1cccc(c1)n1n(c(c(c1=O)N(C)C)C)C,231.294,1.5504,70.464,30.17,19,0,4,RMMXTBMQSGEXHJ-UHFFFAOYSA-N,C13H17N3O,CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",-4.1222,-3.0551,-3.0419,-2.8825,-1.8882,-1.7614,0.8378,0.9616,1.0863,1.1496,1.6,D00556_N02BB03,a0070280000006400a004600060100048018080020800200000000c00200000000003083000880202880011880000040022022000000400100808002000080000c200c00400002000000400000888000008000400c002801c0080181040100060010000002800400024000000400080120060100000108200802008006000004,00000000003021,010040000100000000008000200000004003000000008900000000000000000000000640403000,000000000000082001c634f80120914b50f138aa1f,0,11,23,1,0,2,34,35,-7.954,0.242,0,1.0,0.017735178,+,0.4635,-,0.4635,https://www.genome.jp/dbget-bin/www_bget?dr:D00556
4155,D01380, Isopropylantipyrine (JP17), Pyrazolones,N02BB04,NERVOUS SYSTEM,c1cccc(c1)n1n(c(c(c1=O)C(C)C)C)C,230.30599999999998,2.6078,70.837,26.93,19,0,3,PXWLVJLKJGVOKE-UHFFFAOYSA-N,C14H18N2O,CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",-4.1343,-1.8905,-1.7693,-0.9926,-0.7347,-0.6566,0.4649,0.4691,0.5423,0.7798,0.9406,D01380_N02BB04,a00600800000064008004610850100040008080020000200000000c00000000014003083004880202880011880000040000022000001480000808082000080000c200c0040080000000060200088800000a0004004000001c0080980040100060010000002200400024000000200080110060100800108200822004206000004,00000000003001,050000000000000000008000200000004003000000008900000000000000000000000640403000,0000000000000820018604f80120914b50f138aa1f,0,11,24,1,0,2,35,36,-8.763,0.09699999999999999,0,1.0,0.07547164,+,0.4568,-,0.4568,https://www.genome.jp/dbget-bin/www_bget?dr:D01380
4156,D00217, Acetaminophen (JP17/USP), Anilides,N02BE01,NERVOUS SYSTEM,c1(ccc(cc1)O)NC(=O)C,151.16299999999998,1.4236,42.7777,49.33,12,2,3,RZVAJINKPMORJF-UHFFFAOYSA-N,C8H9NO2,CC(=O)Nc1ccc(cc1)O,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",-3.8068,-3.2419,-2.8801,-0.9516,-0.6659999999999999,-0.6533,0.4924,0.5414,0.6628,0.7533,1.4795,D00217_N02BE01,0002000000000000010006000080000080000000000004000000000000000000000000000020002000060008000010400000020000000008000000000000040008000000400000000000100022800000008000400400280040080000000000000000000000000002000000000000000000060000000000200800000002400000,0400000402b001,0100000000000000000080000a0000000000000000010000000000000000000000000200402800,000000000000000000000008002011405444c0fa1f,0,6,13,1,0,2,20,20,-8.834,0.34700000000000003,0,2.0,0.007865766,-,0.1484,-,0.1484,https://www.genome.jp/dbget-bin/www_bget?dr:D00217
4157,D00569, Phenacetin (JAN/INN), Anilides,N02BE03,NERVOUS SYSTEM,c1(ccc(cc1)OCC)NC(=O)C,179.21599999999998,2.1167,52.0537,38.33,16,1,3,CPJSUEIXXCENMM-UHFFFAOYSA-N,C10H13NO2,CCOc1ccc(cc1)NC(=O)C,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",-3.798,-3.2435,-2.8705,-1.0228,-0.9511,-0.6542,0.4538,0.4772,0.4923,0.5095,1.4795,D00569_N02BE03,0002000000000000010006000082000080000000000004000000000000000000000000000020002000060008000010400000020000000008000000000000040008000800410000010000100022808000008000400400280040080000000000000800000000000002000000000010000000060000080000200800000002400004,0400000050b001,0100020000000000000080000a0000000000000000000000000000000000000000000200402800,000000000000000000000008003013605040d0ff1f,0,6,19,1,0,4,26,26,-8.737,0.478,0,-1.0,0.029756087999999997,-,0.1596,-,0.1596,https://www.genome.jp/dbget-bin/www_bget?dr:D00569
4158,D01116, Bucetin (JAN/INN), Anilides,N02BE04,NERVOUS SYSTEM,c1(ccc(cc1)NC(=O)C[C@@H](C)O)OCC,223.268,1.8677,62.8295,58.56,21,2,4,LIAWQASKBFCRNR-SECBINFHSA-N,C12H17NO3,CCOc1ccc(cc1)NC(=O)CC(O)C,"InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m1/s1",-3.7883,-3.2482,-2.8547,-1.9128,-1.9115,-1.8737,0.8581,0.909,1.3496,1.4924,1.9237,D01116_N02BE04,00020000000000000100060000820000800000100000040000000000000000001000000080200021000600180000104001000200000080080000000000000400080008004100020100001000228080140090014004002800c0080000000000000800000000000002002000000010002000060000080010200800000002400004,0400002c50b001,0328020000000000000080000a0000000000000000000000000000000000000000000200402804,000000000000100000000009817017605c44d2ff1f,0,6,26,1,0,6,33,33,-8.902000000000001,0.353,1,1.0,0.044136245,-,0.3594,-,0.3594,https://www.genome.jp/dbget-bin/www_bget?dr:D01116
4159,D07294, Propacetamol (INN), Anilides,N02BE05,NERVOUS SYSTEM,c1c(ccc(c1)OC(=O)C[NH+](CC)CC)NC(=O)C,265.328,0.5481,75.6354,59.84,25,2,4,QTGAJCQTLIRCFL-UHFFFAOYSA-O,C14H21N2O3+,CC[NH+](CC(=O)Oc1ccc(cc1)NC(=O)C)CC,"InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)/p+1",-6.0423,-5.0042,-4.5595,-4.5551,-4.4224,-3.8046,1.5833,1.5877,1.7487,1.9240000000000002,2.7013,D07294_N02BE05,00020010004000000100060000820000810000000000040000000000000000000000000000200032000e040800001040000002000000000800000000000006100800080041100101000010002280800200a000400400280040080000000000000800000000000002000000008010000002060000080000200800000002600004,0500000050f005,0100400204000000000090000a0000000000000000000000000000000000000000000200c02a00,00000000000001000000324808201b66dc72daff1f,0,6,32,2,0,8,40,40,-11.627,-4.442,0,0.0,0.0012482160000000001,-,0.3814,-,0.3814,https://www.genome.jp/dbget-bin/www_bget?dr:D07294
4160,D08434, Propacetamol hydrochloride, Anilides,N02BE05,NERVOUS SYSTEM,c1c(ccc(c1)OC(=O)C[NH+](CC)CC)NC(=O)C,265.328,0.5481,75.6354,59.84,25,2,4,QTGAJCQTLIRCFL-UHFFFAOYSA-O,C14H21N2O3+,CC[NH+](CC(=O)Oc1ccc(cc1)NC(=O)C)CC,"InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)/p+1",-6.0272,-5.0314,-4.5889999999999995,-4.5748,-4.42,-3.8099,1.6205,1.6289,1.7704,1.9298,2.7889,D08434_N02BE05,00020010004000000100060000820000810000000000040000000000000000000000000000200032000e040800001040000002000000000800000000000006100800080041100101000010002280800200a000400400280040080000000000000800000000000002000000008010000002060000080000200800000002600004,0500000050f005,0100400204000000000090000a0000000000000000000000000000000000000000000200c02a00,00000000000001000000324808201b66dc72daff1f,0,6,32,2,0,8,40,40,-11.633,-4.441,0,1.0,0.0012484310000000001,-,0.3814,-,0.3814,https://www.genome.jp/dbget-bin/www_bget?dr:D08434
4161,D01351, Glafenine (JAN/INN), Other analgesics and antipyretics,N02BG03,NERVOUS SYSTEM,c12nccc(c1ccc(c2)Cl)Nc1ccccc1C(=O)OC[C@H](CO)O,372.80199999999996,3.2148,99.5138,91.68,23,3,5,GWOFUCIGLDBNKM-ZDUSSCGKSA-N,C19H17ClN2O4,OCC(COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)O,"InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)/t13-/m0/s1",-4.2989,-3.3649,-2.8909,-2.0866,-2.0649,-1.9264,1.4886,1.4914,1.5375,1.7871,1.8278,D01351_N02BG03,40004202000004c00804260000820000a01000000080080200200080006400401401408800008025288b060820000040000000000a80200900000002000006000c000c024000020000004100048800060098004004003000400800010021800040000000108000080040010050000c0000020100004500800008000002800100,0400003c30b025,003840100001000000009000000000004003000000049000000000000000000000004640403004,000000000000200081804203d31500257cafe37f1f,0,17,27,1,0,7,43,45,-8.721,-0.82,1,,0.69688803,+,0.7907,-,0.7907,https://www.genome.jp/dbget-bin/www_bget?dr:D01351
4162,D01267, Floctafenine (JAN/USAN/INN), Other analgesics and antipyretics,N02BG04,NERVOUS SYSTEM,c12c(Nc3c(cccc3)C(=O)OC[C@H](CO)O)ccnc1c(ccc2)C(F)(F)F,406.355,3.5802,99.5058,91.68,23,3,5,APQPGQGAWABJLN-LBPRGKRZSA-N,C20H17F3N2O4,OCC(COC(=O)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F)O,"InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)/t12-/m0/s1",-4.211,-4.1915,-4.1641,-4.1579,-3.623,-3.3789999999999996,1.4646,1.4787,1.486,1.54,2.0349,D01267_N02BG04,40020002000014c00804260000820000a01000900082080a00200080020404401401408800008025288a060820000040000000000a80200900000002200006000c000c024000020000804101008800040090004004003000500800010021800040000000108c0000004001005010040010020100004510800008000002000000,0400003c30b025,003940100001000000009000000000004003000000009000000000000000000000004640603004,000000000002200081800203939700257cafe37f1f,3,17,30,1,0,8,46,48,-8.905,-1.0,1,-1.0,0.7630288000000001,-,1.1732,-,1.1732,https://www.genome.jp/dbget-bin/www_bget?dr:D01267
4163,D07295, Viminol (INN), Other analgesics and antipyretics,N02BG05,NERVOUS SYSTEM,c1cc(c(cc1)Cn1cccc1[C@H](C[N@@H+]([C@H](CC)C)[C@@H](CC)C)O)Cl,363.945,3.7051,108.736,29.6,33,2,2,ZILPIBYANAFGMS-FVJLSDCUSA-O,C21H32ClN2O+,CCC([NH+](C(CC)C)CC(c1cccn1Cc1ccccc1Cl)O)C,"InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3/p+1/t16-,17+,21-/m0/s1",-6.0134,-4.4445,-4.4252,-4.4207,-3.1689,-2.4009,1.3927,1.5590000000000002,1.5893,1.5991,2.1426,D07295_N02BG05,00260220000204c04a000600040000040000000000000010000200c0003000001004408303008022508120380008000001020100000028000400800a008800100c000c0000000a0100000000060800020088814004802000c00a081080035080003000000000000000c00000a00000000006011020011000004200000a800004,0100002c00f001,032840020400000000000000000000000000000000048800000000000000000000000600c02204,0000000000002100018456c4c84c0e832db7f8bd1f,0,11,47,0,0,9,57,58,-12.030999999999999,-3.647,3,0.0,0.114528514,+,0.6912,-,0.6912,https://www.genome.jp/dbget-bin/www_bget?dr:D07295
4164,D08674, Viminol 4-hydroxybenzoate, Other analgesics and antipyretics,N02BG05,NERVOUS SYSTEM,n1(cccc1[C@H](C[N@@H+]([C@H](CC)C)[C@@H](CC)C)OC(=O)c1ccc(cc1)O)Cc1ccccc1Cl,484.05,5.2754,140.39700000000002,55.9,39,2,4,HZTHPJGBPGLHIS-ISCCLHIJSA-O,C28H36ClN2O3+,CCC([NH+](C(CC)C)CC(c1cccn1Cc1ccccc1Cl)OC(=O)c1ccc(cc1)O)C,"InChI=1S/C28H35ClN2O3/c1-5-20(3)31(21(4)6-2)19-27(34-28(33)22-13-15-24(32)16-14-22)26-12-9-17-30(26)18-23-10-7-8-11-25(23)29/h7-17,20-21,27,32H,5-6,18-19H2,1-4H3/p+1/t20-,21+,27-/m0/s1",-6.0467,-4.5966,-4.3972,-4.3882,-4.3629,-2.8927,1.6082,1.6179,1.6308,1.7684,2.0734,D08674_N02BG05,00260224000204c04a040600040200040100000000004a10002200c00034000014054083030080b2708b22380008000001024300000028000402880a008806100c000e0208100a0100000100068800020088814004902000c00a081080035080003000000000000200c00000b00000000006019021031022084a00000a800004,0500000432f005,030040020400000000009000000000000001000000058800000000000000000000000640c02204,0000000000000100018456c0c84c0fe72df7fbff1f,0,17,54,1,0,12,70,72,-11.479000000000001,-3.7,3,1.0,0.635646641,+,1.3991,-,1.3991,https://www.genome.jp/dbget-bin/www_bget?dr:D08674
4165,D08258, Nefopam (INN), Other analgesics and antipyretics,N02BG06,NERVOUS SYSTEM,C1[N@H+](CCO[C@H](c2c1cccc2)c1ccccc1)C,254.347,3.3901,82.0267,13.67,21,1,1,RGPDEAGGEXEMMM-KRWDZBQOSA-O,C17H20NO+,C[NH+]1CCOC(c2c(C1)cccc2)c1ccccc1,"InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/p+1/t17-/m0/s1",-6.0558,-5.871,-4.6313,-4.561,-3.1898,-2.1483,1.5943,1.7074,1.8203,1.8819,2.0544,D08258_N02BG06,00060000000004400200060081030002010000c000400800002400e000040000100040000040001220800008000002000000000000000000000000020000001088000802081400000000210082080000008800400010200840080800000100000010000b00041000004000009000000000060190000100020000000008000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000004600c02204,0000000000000121000432509851ac030983cdb11f,0,12,29,0,0,1,39,41,-12.602,-3.9819999999999998,2,-2.0,0.056365859000000004,+,0.46399999999999997,+,0.46399999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D08258
4166,D05133, Nefopam hydrochloride (USAN), Other analgesics and antipyretics,N02BG06,NERVOUS SYSTEM,C1[N@H+](CCO[C@H](c2c1cccc2)c1ccccc1)C,254.347,3.3901,82.0267,13.67,21,1,1,RGPDEAGGEXEMMM-KRWDZBQOSA-O,C17H20NO+,C[NH+]1CCOC(c2c(C1)cccc2)c1ccccc1,"InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/p+1/t17-/m0/s1",-6.0558,-5.871,-4.6313,-4.561,-3.1898,-2.1483,1.5943,1.7074,1.8203,1.8819,2.0544,D05133_N02BG06,00060000000004400200060081030002010000c000400800002400e000040000100040000040001220800008000002000000000000000000000000020000001088000802081400000000210082080000008800400010200840080800000100000010000b00041000004000009000000000060190000100020000000008000000,0100000030f001,008040020400000000000000000000000000000000000000000000000000000000004600c02204,0000000000000121000432509851ac030983cdb11f,0,12,29,0,0,1,39,41,-12.599,-3.9810000000000003,2,0.0,0.056361303,+,0.46399999999999997,+,0.46399999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D05133
4167,D07978, Flupirtine (INN), Other analgesics and antipyretics,N02BG07,NERVOUS SYSTEM,c1(ccc(c(n1)N)NC(=O)OCC)NCc1ccc(cc1)F,304.319,3.7106,82.9858,89.27,23,3,6,JUUFBMODXQKSTD-UHFFFAOYSA-N,C15H17FN4O2,CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",-5.2651,-5.1123,-5.0760000000000005,-4.9264,-4.4579,-4.4132,1.9313,2.0377,2.3841,2.4659999999999997,3.227,D07978_N02BG07,80020000001104000388468008838000c1000080a004000082000080020000000000600002688120108c040c000010400400f0000008200808418003008006000c001c0000000400001030000088000200c000400402280040080460040300000010000200000000100000080000040220060102004110000110c00002400000,0000000030b021,010000080000000000000000000000010040000100089000000000000000000000000600402800,000040002002300001d04a020a36122574a361ff1f,1,12,27,1,0,7,39,40,-8.131,0.065,0,0.0,0.286769956,-,0.7215,-,0.7215,https://www.genome.jp/dbget-bin/www_bget?dr:D07978
4168,D04226, Flupirtine maleate (USAN), Other analgesics and antipyretics,N02BG07,NERVOUS SYSTEM,c1(ccc(c(n1)N)NC(=O)OCC)NCc1ccc(cc1)F,304.319,3.7106,82.9858,89.27,23,3,6,JUUFBMODXQKSTD-UHFFFAOYSA-N,C15H17FN4O2,CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",-5.2669,-5.1078,-5.0817,-4.9317,-4.4825,-4.415,1.9385,2.0421,2.3871,2.5137,3.2435,D04226_N02BG07,80020000001104000388468008838000c1000080a004000082000080020000000000600002688120108c040c000010400400f0000008200808418003008006000c001c0000000400001030000088000200c000400402280040080460040300000010000200000000100000080000040220060102004110000110c00002400000,0000000030b021,010000080000000000000000000000010040000100089000000000000000000000000600402800,000040002002300001d04a020a36122574a361ff1f,1,12,27,1,0,7,39,40,-8.129,0.069,0,,0.286468357,-,0.7215,-,0.7215,https://www.genome.jp/dbget-bin/www_bget?dr:D04226
4169,D07979, Flupirtine D-gluconate, Other analgesics and antipyretics,N02BG07,NERVOUS SYSTEM,c1(ccc(c(n1)N)NC(=O)OCC)NCc1ccc(cc1)F,304.319,3.7106,82.9858,89.27,23,3,6,JUUFBMODXQKSTD-UHFFFAOYSA-N,C15H17FN4O2,CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",-5.2242,-5.105,-5.0915,-4.9288,-4.5257,-4.4049,1.9373,2.0678,2.3814,2.5505,3.2409,D07979_N02BG07,80020000001104000388468008838000c1000080a004000082000080020000000000600002688120108c040c000010400400f0000008200808418003008006000c001c0000000400001030000088000200c000400402280040080460040300000010000200000000100000080000040220060102004110000110c00002400000,0000000030b021,010000080000000000000000000000010040000100089000000000000000000000000600402800,000040002002300001d04a020a36122574a361ff1f,1,12,27,1,0,7,39,40,-8.13,0.065,0,1.0,0.286690891,-,0.7215,-,0.7215,https://www.genome.jp/dbget-bin/www_bget?dr:D07979
4170,D00544, Methoxyflurane (USP/INN), Other analgesics and antipyretics,N02BG09,NERVOUS SYSTEM,C(C(Cl)Cl)(OC)(F)F,164.96599999999998,2.0293,27.351999999999997,9.23,5,0,1,RFKMCNOHBTXSMU-UHFFFAOYSA-N,C3H4Cl2F2O,COC(C(Cl)Cl)(F)F,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",-5.4249,-3.4674,-3.4569,-1.906,-1.5906,-1.4523,0.7375,0.7621,1.2126,1.2236,1.6454,D00544_N02BG09,00020200000000000000000000020002000000d0000000000000000840000000000000000000000000010000000000000000000000000000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000000000000200000000000010000000000000001800,00000000302000,808100000000006000000000000000000000000000000000000000000000000000000000402000,000000000002000000000010408600202000009008,2,0,11,0,0,2,12,11,-11.806,-0.077,0,,,+,1.5287,+,1.5287,https://www.genome.jp/dbget-bin/www_bget?dr:D00544
4171,D07837, Dihydroergotamine (INN), Ergot alkaloids,N02CA01,NERVOUS SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C)O,584.685,2.4999,170.987,119.41,46,4,8,LUZRJRNZXALNLM-JGRZULCMSA-O,C33H38N5O5+,O=C(C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/p+1/t21-,23-,25-,26+,27+,32-,33+/m1/s1",-6.0163,-6.006,-5.7553,-4.8472,-4.6448,-4.6117,2.5988,2.6289999999999996,2.8413,3.0434,3.4185,D07837_N02CA01,20264000004206a01b0006000202400c2100a0304000801802100880003c04303c00509323008033f88624382001004001020000182d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad0000c0000a0003002001080030080110c00100781c502011000007ec02102000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c436df9bebbcc7956fffff1f,0,16,69,3,0,5,81,88,-11.289000000000001,-3.563,8,1.0,0.502391577,+,5.4178,-,5.4178,https://www.genome.jp/dbget-bin/www_bget?dr:D07837
4172,D02211, Dihydroergotamine mesylate (USP), Ergot alkaloids,N02CA01,NERVOUS SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C)O,584.685,2.4999,170.987,119.41,46,4,8,LUZRJRNZXALNLM-JGRZULCMSA-O,C33H38N5O5+,O=C(C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/p+1/t21-,23-,25-,26+,27+,32-,33+/m1/s1",-6.0175,-6.0175,-5.7446,-4.8308,-4.6472,-4.6127,2.6126,2.6637,2.8472,3.0582,3.4338,D02211_N02CA01,20264000004206a01b0006000202400c2100a0304000801802100880003c04303c00509323008033f88624382001004001020000182d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad0000c0000a0003002001080030080110c00100781c502011000007ec02102000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c436df9bebbcc7956fffff1f,0,16,69,3,0,5,81,88,-11.292,-3.565,8,-1.0,0.502899945,+,5.4178,-,5.4178,https://www.genome.jp/dbget-bin/www_bget?dr:D02211
4173,D07838, Dihydroergotamine tartrate, Ergot alkaloids,N02CA01,NERVOUS SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C)O,584.685,2.4999,170.987,119.41,46,4,8,LUZRJRNZXALNLM-JGRZULCMSA-O,C33H38N5O5+,O=C(C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/p+1/t21-,23-,25-,26+,27+,32-,33+/m1/s1",-6.0149,-6.0081,-5.7475,-4.8479,-4.6459,-4.6058,2.6172,2.6472,2.844,3.0732,3.4359,D07838_N02CA01,20264000004206a01b0006000202400c2100a0304000801802100880003c04303c00509323008033f88624382001004001020000182d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad0000c0000a0003002001080030080110c00100781c502011000007ec02102000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c436df9bebbcc7956fffff1f,0,16,69,3,0,5,81,88,-11.29,-3.5639999999999996,8,0.0,0.502445221,+,5.4178,-,5.4178,https://www.genome.jp/dbget-bin/www_bget?dr:D07838
4174,D00679, Ergotamine tartrate (JP17/USP), Ergot alkaloids,N02CA02,NERVOUS SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)Cc1ccccc1)C(=O)[C@@](O2)(NC(=O)[C@@H]1C=C2c3c4c(C[C@@H]2[N@@H+](C1)C)c[nH]c4ccc3)C)O,582.669,2.4096,171.305,119.41,44,4,8,XCGSFFUVFURLIX-KHTMEPJJSA-O,C33H36N5O5+,O=C(C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/p+1/t21-,25+,26+,27+,32-,33+/m1/s1",-6.0503,-6.0022,-5.7546,-5.7452,-4.8576,-4.6408,2.5938,2.5981,2.8339,3.0742,3.3918,D00679_N02CA02,20260102004204a41b0c26000042400c210020f04820c81802100880003c24313c00509323808033b886243a20050040010200001a0d660044010882400480300c123e184a101880032b61010e8902be00f0014104203008ea091900c00ac0000e0400a0c0300a801080030080110c00100791c50203900100fed02912000002,0500000c30f001,1700400204000000030080002a0000000000000000008400000000000000000000004640c02a04,000040020000130181cc36df9fe3bcc7956fffff1f,0,16,66,4,0,5,79,86,-11.120999999999999,-3.515,7,,0.336405367,+,5.6157,-,5.6157,https://www.genome.jp/dbget-bin/www_bget?dr:D00679
4175,D02357, Methysergide (USAN/INN), Ergot alkaloids,N02CA04,NERVOUS SYSTEM,c12c3C4=C[C@H](C[N@H+]([C@@H]4Cc1cn(c2ccc3)C)C)C(=O)N[C@@H](CC)CO,354.466,2.4781,109.229,58.7,31,3,4,KPJZHOPZRAFDTN-ZRGWGRIASA-O,C21H28N3O2+,CCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)cn3C)CO,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/p+1/t14-,15+,19-/m1/s1",-5.9910000000000005,-5.8104,-4.6531,-4.5828,-4.3391,-3.8369,1.8397,2.0255,2.2367,2.4591,2.5982,D02357_N02CA04,2026010200020424530c260000404004000000c04820480800000080003024011c004091018080231886201a00050040010200001204620044018082000400300c020e084200080000086100028902980090014104003008ea091900c008400002040000c02208800000000080510400100691410203900100dc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008800000000000000000000004640c02a04,0000000200003300018c36da9f799e03053759ff1f,0,10,45,2,0,5,54,57,-11.200999999999999,-3.955,4,-1.0,0.004158571,-,1.4504,-,1.4504,https://www.genome.jp/dbget-bin/www_bget?dr:D02357
4176,D00681, Methysergide maleate (USP), Ergot alkaloids,N02CA04,NERVOUS SYSTEM,c12c3C4=C[C@H](C[N@H+]([C@@H]4Cc1cn(c2ccc3)C)C)C(=O)N[C@@H](CC)CO,354.466,2.4781,109.229,58.7,31,3,4,KPJZHOPZRAFDTN-ZRGWGRIASA-O,C21H28N3O2+,CCC(NC(=O)C1C[NH+](C)C2C(=C1)c1cccc3c1c(C2)cn3C)CO,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/p+1/t14-,15+,19-/m1/s1",-5.9771,-5.8061,-4.6525,-4.5714,-4.3621,-3.8261,1.8256,2.0344,2.262,2.4252,2.5977,D00681_N02CA04,2026010200020424530c260000404004000000c04820480800000080003024011c004091018080231886201a00050040010200001204620044018082000400300c020e084200080000086100028902980090014104003008ea091900c008400002040000c02208800000000080510400100691410203900100dc102912000000,0500001c00f001,1718400204000000000080000a0000000000000000008800000000000000000000004640c02a04,0000000200003300018c36da9f799e03053759ff1f,0,10,45,2,0,5,54,57,-11.195,-3.955,4,-1.0,0.004154896,-,1.4504,-,1.4504,https://www.genome.jp/dbget-bin/www_bget?dr:D00681
4177,D07296, Flumedroxone (INN), Corticosteroid derivatives,N02CB01,NERVOUS SYSTEM,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)[C@H](C3)C(F)(F)F)C)CC[C@@]1([C@](CC2)(C(=O)C)O)C,398.459,4.6268,100.209,54.37,32,1,3,CDZJOBWKHSYNMO-SCUQKFFVSA-N,C22H29F3O3,O=C1CCC2(C(=C1)C(CC1C2CCC2(C1CCC2(O)C(=O)C)C)C(F)(F)F)C,"InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1",-3.7011,-3.6902,-3.6830000000000003,-3.2861,-2.9823,-2.3337,0.9848,1.0002,1.3006,1.4176,1.597,D07296_N02CB01,0002000000000224000000030000000000000090204040000200000000002000100012000080000180020000000000000100000000204102200000000000000008000800000400000000800008800204005000400000000000801000000000010204000080000000000000000004080000100000000010000000000100000100,1400004c00a001,1f4900000000010000000000000000000001000000000000000000000000000000004040607805,000000020002020082080086948f2cc0a954b7d21c,3,0,57,3,0,2,57,60,-10.452,-0.35700000000000004,7,2.0,0.685966372,-,2.6889999999999996,-,2.6889999999999996,https://www.genome.jp/dbget-bin/www_bget?dr:D07296
4178,D00451, Sumatriptan (JAN/USP/INN), Selective serotonin (5HT1) agonists,N02CC01,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)CS(=O)(=O)NC,296.408,1.3758,83.3781,74.78,25,3,3,KQKPFRSPSRPDEB-UHFFFAOYSA-O,C14H22N3O2S+,CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC[NH+](C)C,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/p+1",-10.3401,-8.7089,-8.5241,-6.0116,-5.4142,-4.6383,2.4154,2.5608,2.6424,3.3601,3.4353,D00451_N02CC01,6006010000020c0002000600000040040c00000040000008000000800020040030004091000080200880a01800000040004000000004200004010002180000000c000400400000800100440020180010008800400c24200844080900000140000080000004200000000000000010040010063141002110002008000402000000,0100000000f001,020040020400000000000000000000000000000000008400000024000000000000004600c02a00,000000800100451a1503b6b6b8c33c0b8e335ced1f,0,10,31,2,0,6,42,43,-11.345,-4.095,0,,6.40551e-05,+,0.4828,-,0.4828,https://www.genome.jp/dbget-bin/www_bget?dr:D00451
4179,D00676, Sumatriptan succinate (JAN/USAN), Selective serotonin (5HT1) agonists,N02CC01,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)CS(=O)(=O)NC,296.408,1.3758,83.3781,74.78,25,3,3,KQKPFRSPSRPDEB-UHFFFAOYSA-O,C14H22N3O2S+,CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC[NH+](C)C,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/p+1",-10.2971,-8.6339,-8.5995,-6.0248,-5.4036,-4.6279,2.4062,2.5528,2.6516,3.3575,3.3992,D00676_N02CC01,6006010000020c0002000600000040040c00000040000008000000800020040030004091000080200880a01800000040004000000004200004010002180000000c000400400000800100440020180010008800400c24200844080900000140000080000004200000000000000010040010063141002110002008000402000000,0100000000f001,020040020400000000000000000000000000000000008400000024000000000000004600c02a00,000000800100451a1503b6b6b8c33c0b8e335ced1f,0,10,31,2,0,6,42,43,-11.345,-4.095,0,,6.40101e-05,+,0.4828,-,0.4828,https://www.genome.jp/dbget-bin/www_bget?dr:D00676
4180,D08255, Naratriptan (INN), Selective serotonin (5HT1) agonists,N02CC02,NERVOUS SYSTEM,c12c(c[nH]c1ccc(c2)CCS(=O)(=O)NC)[C@H]1CC[N@@H+](CC1)C,336.472,3.6926,99.3051,74.78,29,3,3,AMKVXSZCKVJAGH-UHFFFAOYSA-O,C17H26N3O2S+,CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CC[NH+](CC1)C,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3/p+1",-10.3546,-8.6632,-8.5915,-6.0353,-5.4012,-4.6122,1.5875,2.4196,2.5706,3.3468,3.4522,D08255_N02CC02,60060101000204000a000600000040000c0000104000010800000080002004003000548200008020088000980001004001420100000420000480000200000000040004004000008001084400020800080088015004243008c008090100094100000000200020020000000000011204001006b14000011000004a000502000000,0100000000f001,060040020400000000000000000000000000000000008400000024000000000000004600c02a04,000000800100453a1505b6b6bacbbc8b8f235ded1f,0,10,39,2,0,5,49,51,-11.182,-3.866,0,0.0,0.011689956999999999,-,1.0152,-,1.0152,https://www.genome.jp/dbget-bin/www_bget?dr:D08255
4181,D00674, Naratriptan hydrochloride (JAN/USAN), Selective serotonin (5HT1) agonists,N02CC02,NERVOUS SYSTEM,c12c(c[nH]c1ccc(c2)CCS(=O)(=O)NC)[C@H]1CC[N@@H+](CC1)C,336.472,3.6926,99.3051,74.78,29,3,3,AMKVXSZCKVJAGH-UHFFFAOYSA-O,C17H26N3O2S+,CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CC[NH+](CC1)C,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3/p+1",-10.424000000000001,-8.5998,-8.5567,-6.0131,-5.3806,-4.6367,1.9843,2.4134,2.5063,3.3638,3.4745,D00674_N02CC02,60060101000204000a000600000040000c0000104000010800000080002004003000548200008020088000980001004001420100000420000480000200000000040004004000008001084400020800080088015004243008c008090100094100000000200020020000000000011204001006b14000011000004a000502000000,0100000000f001,060040020400000000000000000000000000000000008400000024000000000000004600c02a04,000000800100453a1505b6b6bacbbc8b8f235ded1f,0,10,39,2,0,5,49,51,-11.185,-3.8680000000000003,0,1.0,0.011692767,-,1.0152,-,1.0152,https://www.genome.jp/dbget-bin/www_bget?dr:D00674
4182,D00415, Zolmitriptan (JAN/USAN/INN), Selective serotonin (5HT1) agonists,N02CC03,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)C[C@@H]1NC(=O)OC1,288.365,0.8346,87.5031,58.56,25,3,3,ULSDMUVEXKOYBU-ZDUSSCGKSA-O,C16H22N3O2+,O=C1OCC(N1)Cc1ccc2c(c1)c(CC[NH+](C)C)c[nH]2,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1",-6.0502,-6.0006,-5.268,-4.6197,-4.5985,-4.5414,1.5851,1.8042,2.0011,2.0222,2.0958,D00415_N02CC03,20060000000204800300060000024004000000004000001802000080002004001800409140008023188c201800010040010000000004600004000802000002000c001e00401000000001400000880010008800400400300840080900000b40000400008000200000008000008010040010070141000310000858400002000000,0100000030f001,020040020400000000000000000000000040000100008400000000000000000000004600c02a04,0000400000000101010236d69873bc4704635cff1f,0,10,34,1,0,5,43,45,-11.472999999999999,-4.215,1,0.0,0.002937509,+,1.0402,-,1.0402,https://www.genome.jp/dbget-bin/www_bget?dr:D00415
4183,D08485, Rizatriptan (INN), Selective serotonin (5HT1) agonists,N02CC04,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)Cn1ncnc1,270.353,0.4947,81.1684,50.94,22,2,3,ULFRLSNUDGIQQP-UHFFFAOYSA-O,C15H20N5+,C[NH+](CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3/p+1",-6.0251,-4.6236,-4.6105,-4.5673,-2.7826,-2.3644,1.4701,1.5749,1.5812,1.5849,1.5893,D08485_N02CC04,2007000000020480020006000000400400000000408000080000008000200400100040914000802148802018000000c0000020000004600004000002008000080c000c00400004000000400000080090008800400c00200840080900000140000010000000a00000048000004010040010060141000110400888800006000000,0100000000f001,020040020400000000000000000000000000000000009c00000000000000000000004600c03200,000000000000090001d636b69841ac0b04235cad17,0,15,27,0,0,5,40,42,-11.475999999999999,-4.115,0,0.0,0.000935136,+,0.8398,-,0.8398,https://www.genome.jp/dbget-bin/www_bget?dr:D08485
4184,D00675, Rizatriptan benzoate (JAN/USAN), Selective serotonin (5HT1) agonists,N02CC04,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)Cn1ncnc1,270.353,0.4947,81.1684,50.94,22,2,3,ULFRLSNUDGIQQP-UHFFFAOYSA-O,C15H20N5+,C[NH+](CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3/p+1",-6.0226,-4.6184,-4.6118,-4.5636,-2.7833,-2.3534,1.4756,1.5783,1.5785,1.5854,1.7498,D00675_N02CC04,2007000000020480020006000000400400000000408000080000008000200400100040914000802148802018000000c0000020000004600004000002008000080c000c00400004000000400000080090008800400c00200840080900000140000010000000a00000048000004010040010060141000110400888800006000000,0100000000f001,020040020400000000000000000000000000000000009c00000000000000000000004600c03200,000000000000090001d636b69841ac0b04235cad17,0,15,27,0,0,5,40,42,-11.475999999999999,-4.1160000000000005,0,,0.000921563,+,0.8398,-,0.8398,https://www.genome.jp/dbget-bin/www_bget?dr:D00675
4185,D05740, Rizatriptan sulfate (USAN), Selective serotonin (5HT1) agonists,N02CC04,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)Cn1ncnc1,270.353,0.4947,81.1684,50.94,22,2,3,ULFRLSNUDGIQQP-UHFFFAOYSA-O,C15H20N5+,C[NH+](CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3/p+1",-6.0245,-4.6205,-4.6096,-4.5655,-2.7942,-2.3616,1.5754,1.5776,1.5832,1.5839,1.9398,D05740_N02CC04,2007000000020480020006000000400400000000408000080000008000200400100040914000802148802018000000c0000020000004600004000002008000080c000c00400004000000400000080090008800400c00200840080900000140000010000000a00000048000004010040010060141000110400888800006000000,0100000000f001,020040020400000000000000000000000000000000009c00000000000000000000004600c03200,000000000000090001d636b69841ac0b04235cad17,0,15,27,0,0,5,40,42,-11.475,-4.115,0,1.0,0.0009349889999999999,+,0.8398,-,0.8398,https://www.genome.jp/dbget-bin/www_bget?dr:D05740
4186,D02824, Almotriptan (USAN), Selective serotonin (5HT1) agonists,N02CC05,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)CS(=O)(=O)N1CCCC1,336.472,1.7992,99.6944,65.99,29,2,3,WKEMJKQOLOHJLZ-UHFFFAOYSA-O,C17H26N3O2S+,O=S(=O)(N1CCCC1)Cc1ccc2c(c1)c(CC[NH+](C)C)c[nH]2,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3/p+1",-9.6872,-8.6019,-8.5706,-6.0288,-4.612,-4.6087,2.4197,2.5009,2.5456,2.6442,3.1310000000000002,D02824_N02CC05,7006010000020c0002000600000040040c00000040000008000000800020040230004091000080200880a01c000000c0014000000004200004010002180000000c000400400040800100440022180010008800400c242008c4084900000140000080000004200000100000000010040010063141002110002008000402000000,0100000000f001,020040020400000000000000000000000000000000008400000024000000000000004600c02a01,000000800100459a0507b7b6b8c3bc8b8f235ced1f,0,10,39,2,0,6,49,51,-11.306,-4.073,0,1.0,0.008535082,+,0.8717,-,0.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D02824
4187,D02825, Almotriptan malate (USAN), Selective serotonin (5HT1) agonists,N02CC05,NERVOUS SYSTEM,c12c([nH]cc1CC[NH+](C)C)ccc(c2)CS(=O)(=O)N1CCCC1,336.472,1.7992,99.6944,65.99,29,2,3,WKEMJKQOLOHJLZ-UHFFFAOYSA-O,C17H26N3O2S+,O=S(=O)(N1CCCC1)Cc1ccc2c(c1)c(CC[NH+](C)C)c[nH]2,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3/p+1",-9.6287,-8.6294,-8.5627,-6.0253,-4.6205,-4.6165,2.4105,2.4629,2.5316,2.6459,3.1226,D02825_N02CC05,7006010000020c0002000600000040040c00000040000008000000800020040230004091000080200880a01c000000c0014000000004200004010002180000000c000400400040800100440022180010008800400c242008c4084900000140000080000004200000100000000010040010063141002110002008000402000000,0100000000f001,020040020400000000000000000000000000000000008400000024000000000000004600c02a01,000000800100459a0507b7b6b8c3bc8b8f235ced1f,0,10,39,2,0,6,49,51,-11.304,-4.074,0,-3.0,0.008537991,+,0.8717,-,0.8717,https://www.genome.jp/dbget-bin/www_bget?dr:D02825
4188,D07887, Eletriptan (INN), Selective serotonin (5HT1) agonists,N02CC06,NERVOUS SYSTEM,[C@H]1([N@@H+](C)CCC1)Cc1c2cc(ccc2[nH]c1)CCS(=O)(=O)c1ccccc1,383.527,5.0539,115.34700000000001,62.75,29,2,2,PWVXXGRKLHYWKM-LJQANCHMSA-O,C22H27N2O2S+,C[NH+]1CCCC1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/p+1/t19-/m1/s1",-7.7997,-7.7403,-6.0081,-4.6239,-4.5884,-4.5365,1.4818,1.5502,1.5591,1.5921,1.8361,D07887_N02CC06,20260101000204100200060002004004000000144000000800000080002004001900549b0000802018802018000100c001220000002420000480000200000004040004004000208200086400020801180088016004207008c048090180094100000000000020000010080040001104001006914102011200004a800502000000,0100000000f101,020040020400000000000000000000000000000000008400800000000000000000004640c02a05,000000000000459e0505b796b8c9ac8b8f236ded1f,0,16,39,2,0,6,54,57,-11.277000000000001,-3.8369999999999997,2,0.0,0.119476609,+,1.5065,-,1.5065,https://www.genome.jp/dbget-bin/www_bget?dr:D07887
4189,D01973, Eletriptan hydrobromide (JAN/USAN), Selective serotonin (5HT1) agonists,N02CC06,NERVOUS SYSTEM,[C@H]1([N@@H+](C)CCC1)Cc1c2cc(ccc2[nH]c1)CCS(=O)(=O)c1ccccc1,383.527,5.0539,115.34700000000001,62.75,29,2,2,PWVXXGRKLHYWKM-LJQANCHMSA-O,C22H27N2O2S+,C[NH+]1CCCC1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/p+1/t19-/m1/s1",-7.7784,-7.7223,-5.9813,-4.6286,-4.5846,-4.5583,1.8995,2.0909,2.2824,2.2831,2.4361,D01973_N02CC06,20260101000204100200060002004004000000144000000800000080002004001900549b0000802018802018000100c001220000002420000480000200000004040004004000208200086400020801180088016004207008c048090180094100000000000020000010080040001104001006914102011200004a800502000000,0100000000f101,020040020400000000000000000000000000000000008400800000000000000000004640c02a05,000000000000459e0505b796b8c9ac8b8f236ded1f,0,16,39,2,0,6,54,57,-11.275,-3.835,2,0.0,0.119390756,+,1.5065,-,1.5065,https://www.genome.jp/dbget-bin/www_bget?dr:D01973
4190,D07997, Frovatriptan (INN), Selective serotonin (5HT1) agonists,N02CC07,NERVOUS SYSTEM,[C@H]1(CCc2c(C1)c1c([nH]2)ccc(c1)C(=O)N)[NH2+]C,244.312,1.0176,72.692,75.49,20,3,2,XPSQPHWEGNHMSK-SECBINFHSA-O,C14H18N3O+,C[NH2+]C1Cc2c(CC1)[nH]c1c2cc(cc1)C(=O)N,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/p+1/t9-/m1/s1",-5.7045,-5.699,-4.5892,-4.4051,-4.3338,-4.2256,1.5553,1.5630000000000002,1.5743,1.5871,1.7784,D07997_N02CC07,20060020000204800a00860006004004800100104000000801000080002004001400409100408020088626180001106001000000082420000400000600020000040004024000020000886000008800980088804004803008c00809000009400001100000202000010000000021110400100681510201100000ca00010a000000,0500000000f001,020040010400000000008000060000000001000000008400000000000000000000004640c02a04,000000000000010001000c9e9069388115a145aa1f,0,10,27,1,0,2,36,38,-11.444,-4.062,1,0.0,0.000691465,-,1.1121,-,1.1121,https://www.genome.jp/dbget-bin/www_bget?dr:D07997
4191,D04264, Frovatriptan succinate (USAN), Selective serotonin (5HT1) agonists,N02CC07,NERVOUS SYSTEM,[C@H]1(CCc2c(C1)c1c([nH]2)ccc(c1)C(=O)N)[NH2+]C,244.312,1.0176,72.692,75.49,20,3,2,XPSQPHWEGNHMSK-SECBINFHSA-O,C14H18N3O+,C[NH2+]C1Cc2c(CC1)[nH]c1c2cc(cc1)C(=O)N,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/p+1/t9-/m1/s1",-5.7047,-5.6984,-4.5847,-4.4052,-4.3289,-4.2206,1.556,1.5619999999999998,1.5759999999999998,1.5859999999999999,1.7782,D04264_N02CC07,20060020000204800a00860006004004800100104000000801000080002004001400409100408020088626180001106001000000082420000400000600020000040004024000020000886000008800980088804004803008c00809000009400001100000202000010000000021110400100681510201100000ca00010a000000,0500000000f001,020040010400000000008000060000000001000000008400000000000000000000004640c02a04,000000000000010001000c9e9069388115a145aa1f,0,10,27,1,0,2,36,38,-11.440999999999999,-4.061,1,,0.00069105,-,1.1121,-,1.1121,https://www.genome.jp/dbget-bin/www_bget?dr:D04264
4192,D05523, Pizotyline (USAN), Other antimigraine preparations,N02CX01,NERVOUS SYSTEM,C1c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)scc3)cccc2,296.45,4.5263,96.4097,32.68,22,1,1,FIADGNVRKBPQEU-UHFFFAOYSA-O,C19H22NS+,C[NH+]1CCC(=C2c3ccsc3CCc3c2cccc3)CC1,"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3/p+1",-6.0425,-4.6199,-4.5615,-4.5599,-0.8033,-0.8029999999999999,1.4365,1.4569,1.4577,1.5731,1.5734,D05523_N02CX01,104fc1000000000c020c06008000c0020400005000204100010000a4005000031008500000c040008008985c00091000054200000020100048000082000402040200000002300001010020001a000100808001d000023008c8485800000800040104000180040880022000000400102200060180020b10000000000900000914,0100000000f001,12004002040000000000000000000000000000000000c000000000000000000000004640c00204,0000040008000320000cb7949e41ac8301834da117,0,11,34,1,0,0,43,46,-11.767999999999999,-3.7489999999999997,0,0.0,0.127940238,+,1.1775,-,1.1775,https://www.genome.jp/dbget-bin/www_bget?dr:D05523
4193,D08397, Pizotifen malate, Other antimigraine preparations,N02CX01,NERVOUS SYSTEM,C1c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)scc3)cccc2,296.45,4.5263,96.4097,32.68,22,1,1,FIADGNVRKBPQEU-UHFFFAOYSA-O,C19H22NS+,C[NH+]1CCC(=C2c3ccsc3CCc3c2cccc3)CC1,"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3/p+1",-6.0425,-4.6199,-4.5615,-4.5599,-0.8033,-0.8029999999999999,1.4365,1.4569,1.4577,1.5731,1.5734,D08397_N02CX01,104fc1000000000c020c06008000c0020400005000204100010000a4005000031008500000c040008008985c00091000054200000020100048000082000402040200000002300001010020001a000100808001d000023008c8485800000800040104000180040880022000000400102200060180020b10000000000900000914,0100000000f001,12004002040000000000000000000000000000000000c000000000000000000000004640c00204,0000040008000320000cb7949e41ac8301834da117,0,11,34,1,0,0,43,46,-11.767999999999999,-3.748,0,2.0,0.128021732,+,1.1775,-,1.1775,https://www.genome.jp/dbget-bin/www_bget?dr:D08397
4194,D07297, Iprazochrome (INN), Other antimigraine preparations,N02CX03,NERVOUS SYSTEM,C1(=O)/C(=N\NC(=O)N)/C=C2C(=C1)N(C[C@H]2O)C(C)C,264.28,0.5177,72.5779,108.02,23,3,7,XZKVIDLLLOUTSS-ZEVOCZHWSA-N,C12H16N4O3,NC(=O)NN=C1C=C2C(O)CN(C2=CC1=O)C(C)C,"InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,18H,5H2,1-2H3,(H3,13,15,19)/b14-8-/t11-/m1/s1",-5.8575,-4.618,-4.2331,-4.22,-3.7233,-3.0311,1.8502,1.9805,2.2207,2.275,2.616,D07297_N02CX03,400200404008000402040c01f00010040005049000004840000401000110200410000000808080438006001008020802032a000090048b004099000d0040013048012800042000001800012002810200041240c1108221008b0010004044011302440139e10218001100100084200140000c200000089003208004081800c007,1400002c00a041,112840028000010000080000000000004043001000000000000000000000000000004440407804,0000000210140a00107e1ce09d23584b9c65fafb1d,0,0,31,5,0,3,35,36,-9.012,-1.743,1,1.0,0.013950646,-,1.0759999999999998,-,1.0759999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D07297
4195,D07854, Dimetotiazine (INN), Other antimigraine preparations,N02CX05,NERVOUS SYSTEM,S1c2c(N(c3c1cccc3)C[C@@H](C)[NH+](C)C)cc(cc2)S(=O)(=O)N(C)C,392.559,3.2184,112.124,78.74,31,1,4,VWNWVCJGUMZDIU-CQSZACIVSA-O,C19H26N3O2S2+,C[NH+](C(CN1c2cc(ccc2Sc2c1cccc2)S(=O)(=O)N(C)C)C)C,"InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3/p+1/t14-/m1/s1",-10.4044,-9.4325,-9.2723,-6.0141,-4.6394,-4.5915,2.4033,2.5531,2.7116,2.7546,3.1068,D07854_N02CX05,6002010000a0000104000621008600088c0000001008200200030000004000001b0048080000802000200038020010c00060000202006008000000200030040402020000400122a001230000000000002080006004606000400a000000200000000000001000000000200200000204200006b000200012010002c00012400000,0100000000f121,010050020500000000000000000000000000000000000000000024000000000000004640c02204,000000800900459e0447b130bac39c0bc2b159ed1f,0,12,40,2,0,5,52,54,-10.767999999999999,-4.206,1,1.0,0.009121675,-,1.1538,-,1.1538,https://www.genome.jp/dbget-bin/www_bget?dr:D07854
4196,D01902, Fonazine mesylate (USAN), Other antimigraine preparations,N02CX05,NERVOUS SYSTEM,S1c2c(N(c3c1cccc3)C[C@@H](C)[NH+](C)C)cc(cc2)S(=O)(=O)N(C)C,392.559,3.2184,112.124,78.74,31,1,4,VWNWVCJGUMZDIU-CQSZACIVSA-O,C19H26N3O2S2+,C[NH+](C(CN1c2cc(ccc2Sc2c1cccc2)S(=O)(=O)N(C)C)C)C,"InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3/p+1/t14-/m1/s1",-10.39,-9.3887,-9.324,-6.0311,-4.6081,-4.6042,1.9902,2.4125,2.7411,2.7658,3.0836,D01902_N02CX05,6002010000a0000104000621008600088c0000001008200200030000004000001b0048080000802000200038020010c00060000202006008000000200030040402020000400122a001230000000000002080006004606000400a000000200000000000001000000000200200000204200006b000200012010002c00012400000,0100000000f121,010050020500000000000000000000000000000000000000000024000000000000004640c02204,000000800900459e0447b130bac39c0bc2b159ed1f,0,12,40,2,0,5,52,54,-10.769,-4.205,1,1.0,0.009116371,-,1.1538,-,1.1538,https://www.genome.jp/dbget-bin/www_bget?dr:D01902
4197,D08312, Oxetorone (INN), Other antimigraine preparations,N02CX06,NERVOUS SYSTEM,c12OCc3c(/C(=C/CC[NH+](C)C)/c1cccc2)oc1c3cccc1,320.405,3.2915,98.7107,26.81,23,1,2,VZVRZTZPHOHSCK-LICLKQGHSA-O,C21H22NO2+,C[NH+](CCC=C1c2ccccc2OCc2c1oc1c2cccc1)C,"InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-10+",-6.0467,-4.6263,-4.6141,-4.5716,-1.6614,-1.1631,1.4263,1.4380000000000002,1.4616,1.6,1.6041,D08312_N02CX06,0006000000400046030c0681a12340020000804815244004006200e0104040091010d80208c02040280001180000140000000200040000104080040200440000082008422300000186003100060488420088084028002c4c4008188004418a0000062245800408a2005500800112200200060100080318a02800208800804814,0100000050f001,12004202040000000000000000000000000000000000a000000000000000000000004640c02200,0000040000000301000a36919c51ad020083ddf51f,0,16,32,1,0,3,46,49,-11.069,-3.949,0,0.0,0.224730775,+,0.9117,-,0.9117,https://www.genome.jp/dbget-bin/www_bget?dr:D08312
4198,D05290, Oxetorone fumarate (USAN), Other antimigraine preparations,N02CX06,NERVOUS SYSTEM,c12OCc3c(/C(=C/CC[NH+](C)C)/c1cccc2)oc1c3cccc1,320.405,3.2915,98.7107,26.81,23,1,2,VZVRZTZPHOHSCK-LICLKQGHSA-O,C21H22NO2+,C[NH+](CCC=C1c2ccccc2OCc2c1oc1c2cccc1)C,"InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-10+",-6.0184,-4.622,-4.6073,-4.5742,-1.6578,-1.1858,1.4381,1.4538,1.4839,1.5751,1.5784,D05290_N02CX06,0006000000400046030c0681a12340020000804815244004006200e0104040091010d80208c02040280001180000140000000200040000104080040200440000082008422300000186003100060488420088084028002c4c4008188004418a0000062245800408a2005500800112200200060100080318a02800208800804814,0100000050f001,12004202040000000000000000000000000000000000a000000000000000000000004640c02200,0000040000000301000a36919c51ad020083ddf51f,0,16,32,1,0,3,46,49,-11.069,-3.949,0,1.0,0.22447889999999998,+,0.9117,-,0.9117,https://www.genome.jp/dbget-bin/www_bget?dr:D05290
4199,D00700, Mephobarbital (JAN/USP), Barbiturates and derivatives,N03AA01,NERVOUS SYSTEM,[C@@]1(c2ccccc2)(C(=O)N(C(=O)NC1=O)C)CC,246.262,1.3093,72.5357,66.48,19,1,5,ALARQZQTBTVLJV-CYBMUJFWSA-N,C13H14N2O3,CCC1(C(=O)NC(=O)N(C1=O)C)c1ccccc1,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m1/s1",-4.6042,-3.795,-3.7846,-3.5767,-3.0282,-2.9403,1.7914,1.8007,1.8293,1.8657,2.3197,D00700_N03AA01,0006000000200800130206000000000400000010000000000000008000200100180040810000000000062d1800010200010000001000000001000002080000000000000000000040000000000090000d0090004000003008e00908000009000004200000040000000000000000000000000e0100000110000010000100000000,0400000000b041,0b0000000000000000008000000000000040040000000000000000000000000000000600402804,00000000100000200294101b03aa924380617bee1f,0,6,24,3,0,2,32,33,-10.329,-0.37,1,,0.08784768,-,0.8615,+,0.8615,https://www.genome.jp/dbget-bin/www_bget?dr:D00700
4200,D00506, Phenobarbital (JP17/USP/INN), Barbiturates and derivatives,N03AA02,NERVOUS SYSTEM,C1(c2ccccc2)(C(=O)NC(=O)NC1=O)CC,232.235,1.358,67.6344,75.27,17,2,5,DDBREPKUVSBGFI-UHFFFAOYSA-N,C12H12N2O3,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",-4.6168,-3.7953,-3.7951,-3.5861,-3.585,-2.9336,1.7908,1.8301,1.8331,1.8653,2.3396,D00506_N03AA02,0006000000200800130206000000000400000010000000000000008000200100180040810000000000062d1800010200010000001000000001000002080000000000000000000040000000000090000d0090004000003008c00908000009000004200000040000000000000000000000000e0100000110000010000100000000,0400000000b041,0b0000000000000000008000000000000040040000000000000000000000000000000600402800,00000000100410200290000b03a29241846163ee1f,0,6,21,3,0,2,29,30,-10.449000000000002,-0.483,0,0.0,0.075037152,+,0.8825,+,0.8825,https://www.genome.jp/dbget-bin/www_bget?dr:D00506
4201,D00701, Phenobarbital sodium (JAN/USP/INN), Barbiturates and derivatives,N03AA02,NERVOUS SYSTEM,[C@@]1(c2ccccc2)(C(=O)NC(=[NH]C1=O)O)CC,233.243,0.8834,69.8742,90.25,17,3,4,ZQYOFRYUMWKYRT-GFCCVEGCSA-N,C12H13N2O3,CCC1(C(=O)NC(=[NH]C1=O)O)c1ccccc1,"InChI=1S/C12H13N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7,13,17H,2H2,1H3,(H,14,16)/t12-/m1/s1",-6.4741,-6.4552,-6.2351,-6.2006,-5.9952,-5.9927,2.7894,2.8989999999999996,2.9915,4.5459,4.5575,D00701_N03AA02,000640001820008c130006101000200e000000900010414000000080004000003020408300800000c006203a0021010001000800100010001a000002008800000800118000000040080000000180000d0190004010003018c2091800000b40000000000000000100008000000000080000060100000110000000000040000000,0400000c00b001,0b0000000000000000008000000000000040000000000000000000000000000000000640403804,000000001004102002b0000b03a2d241846563fe1f,0,6,22,3,0,2,30,31,-10.440999999999999,-0.474,0,,0.00010633700000000001,-,0.6553,-,0.6553,https://www.genome.jp/dbget-bin/www_bget?dr:D00701
4202,D08356, Phenobarbital diethylamine, Barbiturates and derivatives,N03AA02,NERVOUS SYSTEM,C1(c2ccccc2)(C(=O)NC(=O)NC1=O)CC,232.235,1.358,67.6344,75.27,17,2,5,DDBREPKUVSBGFI-UHFFFAOYSA-N,C12H12N2O3,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",-4.6211,-3.7934,-3.7924,-3.588,-3.5846,-2.9367,1.7937,1.8224,1.8353,1.8509,2.3269,D08356_N03AA02,0006000000200800130206000000000400000010000000000000008000200100180040810000000000062d1800010200010000001000000001000002080000000000000000000040000000000090000d0090004000003008c00908000009000004200000040000000000000000000000000e0100000110000010000100000000,0400000000b041,0b0000000000000000008000000000000040040000000000000000000000000000000600402800,00000000100410200290000b03a29241846163ee1f,0,6,21,3,0,2,29,30,-10.434000000000001,-0.47700000000000004,0,0.0,0.075045079,+,0.8825,+,0.8825,https://www.genome.jp/dbget-bin/www_bget?dr:D08356
4203,D00474, Primidone (JP17/USP/INN), Barbiturates and derivatives,N03AA03,NERVOUS SYSTEM,C1(c2ccccc2)(C(=O)NCNC1=O)CC,218.252,1.1955,67.0454,58.2,18,2,4,DQMZLTXERSFNPB-UHFFFAOYSA-N,C12H14N2O2,CCC1(C(=O)NCNC1=O)c1ccccc1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",-4.4432,-4.4423,-4.3811,-4.374,-3.8437,-3.8435,1.8474,2.0238,2.0256,2.6756,2.6787,D00474_N03AA03,000600000020080013020600000000040000001000000000000000800020010010004081000000000006211800010000010000001000000000000002080000000000000000000040000000000090000d0090004000003008c00908000009000000200000040000000000000000000000000e0100000110000000000100000000,0400000000b001,0b0000000000000000008000200000000000000000000000000000000000000000000600402800,00000008000410200290020b0ba092c1846161ef1f,0,6,23,2,0,2,30,31,-9.841000000000001,0.615,0,,0.095270366,-,0.4078,-,0.4078,https://www.genome.jp/dbget-bin/www_bget?dr:D00474
4204,D07298, Barbexaclone (INN), Barbiturates and derivatives,N03AA04,NERVOUS SYSTEM,N1C(=O)NC(=O)C(C1=O)(c1ccccc1)CC,232.235,1.358,67.6344,75.27,17,2,5,DDBREPKUVSBGFI-UHFFFAOYSA-N,C12H12N2O3,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",-4.6172,-3.7951,-3.795,-3.5858,-3.585,-2.9335,1.7904,1.8316,1.8330000000000002,1.8658,2.3429,D07298_N03AA04,0006000000200800130206000000000400000010000000000000008000200100180040810000000000062d1800010200010000001000000001000002080000000000000000000040000000000090000d0090004000003008c00908000009000004200000040000000000000000000000000e0100000110000010000100000000,0400000000b041,0b0000000000000000008000000000000040040000000000000000000000000000000600402800,00000000100410200290000b03a29241846163ee1f,0,6,21,3,0,2,29,30,-10.360999999999999,-0.455,0,0.0,0.073063657,-,0.8289,-,0.8289,https://www.genome.jp/dbget-bin/www_bget?dr:D07298
4205,D01382, Metharbital (JAN/INN), Barbiturates and derivatives,N03AA30,NERVOUS SYSTEM,C1(C(=O)N(C(=O)NC1=O)C)(CC)CC,198.21900000000002,0.7677,57.5197,66.48,19,1,5,FWJKNZONDWOGMI-UHFFFAOYSA-N,C9H14N2O3,CCC1(CC)C(=O)NC(=O)N(C1=O)C,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",-4.6068,-3.8007,-3.7899,-3.5718,-3.0249,-2.9423,1.7895,1.7989,1.8236,1.8579,2.3212,D01382_N03AA30,0002000000000800110204000000000000000010000000000000000000200100180000000000000000060d1000010200010000001000000001000000000000000000000000000000000000000090000d0010004000002000a00100000001000000200000040000000000000000000000000c0000000010000010000100000000,0400000000a041,0b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100000000294101b03aa9a4380717aee1d,0,0,25,3,0,2,28,28,-11.054,-0.326,0,-1.0,0.019038031,-,0.7757,-,0.7757,https://www.genome.jp/dbget-bin/www_bget?dr:D01382
4206,D00708, Ethotoin (JAN/USP/INN), Hydantoin derivatives,N03AB01,NERVOUS SYSTEM,[C@H]1(c2ccccc2)C(=O)N(C(=O)N1)CC,204.225,1.5661,62.8387,49.41,16,1,4,SZQIFWWUIBRPBZ-VIFPVBQESA-N,C11H12N2O2,CCN1C(=O)NC(C1=O)c1ccccc1,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)/t9-/m0/s1",-5.2781,-4.6485,-3.8501,-3.8143,-3.6876,-3.0645,1.7573,1.9869,2.1473,2.5173,2.6197,D00708_N03AB01,0006008000600420030006000001000c0000008000000000000000800000000018004083000000000086213800010280010200004000000000200002084000000000000000000040002000000298000500b000400000200940080800800000000c300002040000000000000000000000000e0104000110000030800100000100,0400000000b041,010000000000000000008000000000000040040000000000000000000000000000000600402804,0000000010000020005414cf09229243806168ef1f,0,6,20,2,0,2,27,28,-10.338,0.08900000000000001,1,1.0,0.047407265999999997,-,0.4267,-,0.4267,https://www.genome.jp/dbget-bin/www_bget?dr:D00708
4207,D00512, Phenytoin (JP17/USP/INN), Hydantoin derivatives,N03AB02,NERVOUS SYSTEM,c1cccc(c1)C1(c2ccccc2)NC(=[NH]C1=O)O,253.27599999999998,1.9526,79.7402,73.18,17,3,3,LZJGJOGRTWUDNU-UHFFFAOYSA-N,C15H13N2O2,O=C1[NH]=C(NC1(c1ccccc1)c1ccccc1)O,"InChI=1S/C15H13N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,16-17,19H",-7.4122,-6.465,-6.3155,-6.2248,-6.0135,-5.4838,2.9056,2.9295,3.5795,4.3873,4.9079,D00512_N03AB02,0006c0000060048c020006009001200c000000d000100040000000a08000000014004081100000000086003800002000000008000000000002000002000800000800108000000040080000000188000901b000401000201852081800400200000010000300000100000001000000080000060100000100000008000040000000,0400000c00b001,000000000000000000008000000000000040000000000000000000000000000000000640403800,0000000010042020027004c901a2d0410465617a1f,0,12,20,2,0,2,32,34,-13.302999999999999,-5.937,0,,0.000516019,+,0.5736,-,0.5736,https://www.genome.jp/dbget-bin/www_bget?dr:D00512
4208,D02103, Phenytoin sodium (USP), Hydantoin derivatives,N03AB02,NERVOUS SYSTEM,c1cccc(c1)C1(c2ccccc2)NC(=[NH]C1=O)O,253.27599999999998,1.9526,79.7402,73.18,16,3,3,LZJGJOGRTWUDNU-UHFFFAOYSA-N,C15H13N2O2,O=C1[NH]=C(NC1(c1ccccc1)c1ccccc1)O,"InChI=1S/C15H13N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,16-17,19H",-7.4239999999999995,-6.4662,-6.3177,-6.2271,-6.0117,-5.4845,2.9105,2.932,3.5831,4.3852,4.9117,D02103_N03AB02,0006c0000060048c020006009001200c000000d000100040000000a08000000014004081100000000086003800002000000008000000000002000002000800000800108000000040080000000188000901b000401000201852081800400200000010000300000100000001000000080000060100000100000008000040000000,0400000c00b001,000000000000000000008000000000000040000000000000000000000000000000000640403800,0000000010042020027004c901a2d0410465617a1f,0,12,20,2,0,2,32,34,-10.267999999999999,-0.003,0,1.0,0.0006950760000000001,-,0.5594,-,0.5594,https://www.genome.jp/dbget-bin/www_bget?dr:D02103
4209,D00375, Mephenytoin (USP/INN), Hydantoin derivatives,N03AB04,NERVOUS SYSTEM,[C@@]1(C(=O)N(C(=O)N1)C)(CC)c1ccccc1,218.252,1.7402,67.5287,49.41,18,1,4,GMHKMTDVRCWUDX-LBPRGKRZSA-N,C12H14N2O2,CCC1(NC(=O)N(C1=O)C)c1ccccc1,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)/t12-/m0/s1",-5.2889,-4.6418,-3.8515,-3.8089999999999997,-3.6574,-3.0758,1.7674,1.9906,2.1272,2.5262,2.6218,D00375_N03AB04,0006008000600c20030006000001000c0000009000000000000000800000010018004081000000000086253800010280010000000000000000200002084000000000000000000040002000000098000500b0004000003009c0080800000800000c300002040000000000000000000000000e0100000110000030800100000100,0400000000b041,030000000000000000008000000000000040040000000000000000000000000000000600402804,0000000010000020025414d981ea9243806178ee1f,0,6,23,2,0,2,30,31,-10.274000000000001,0.08,1,1.0,0.061805274,-,0.5924,-,0.5924,https://www.genome.jp/dbget-bin/www_bget?dr:D00375
4210,D07993, Fosphenytoin (INN), Hydantoin derivatives,N03AB05,NERVOUS SYSTEM,C1(C(=O)N(C(=O)N1)COP(=O)(O)O)(c1ccccc1)c1ccccc1,362.274,1.8155,94.4738,125.98,21,3,8,XWLUWCNOOVRFPX-UHFFFAOYSA-N,C16H15N2O6P,O=C1N(COP(=O)(O)O)C(=O)NC1(c1ccccc1)c1ccccc1,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",-10.5479,-10.5358,-10.2521,-7.5266,-5.292000000000001,-4.6914,3.2313,3.3986,3.4591,4.9709,5.0741,D07993_N03AB05,00860080006004a0030006008001000c000001c000000002000000a00000000038004081000000010096213c000102800500000000010000002000022840000008001c0000000040402002000098000501b0004000002039400b08000002c0000c300003044040200080010004000000300e0100040110040030800100000100,0400000000b041,000000000000000003008000000000000040040000000000000000000010200000000600402800,0000001810840020125414cf29b2906b866d6b7f1f,0,12,27,3,0,5,40,42,0.433,3.654,0,-1.0,5.36534e-13,-,1.0456,-,1.0456,https://www.genome.jp/dbget-bin/www_bget?dr:D07993
4211,D02096, Fosphenytoin sodium (USP), Hydantoin derivatives,N03AB05,NERVOUS SYSTEM,C1(C(=O)N(C(=O)N1)COP(=O)(O)O)(c1ccccc1)c1ccccc1,362.274,1.8155,94.4738,125.98,21,3,8,XWLUWCNOOVRFPX-UHFFFAOYSA-N,C16H15N2O6P,O=C1N(COP(=O)(O)O)C(=O)NC1(c1ccccc1)c1ccccc1,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",-10.5435,-10.537,-10.2576,-7.5256,-5.3049,-4.6796,3.2449,3.3837,3.4619999999999997,4.9853,5.0677,D02096_N03AB05,00860080006004a0030006008001000c000001c000000002000000a00000000038004081000000010096213c000102800500000000010000002000022840000008001c0000000040402002000098000501b0004000002039400b08000002c0000c300003044040200080010004000000300e0100040110040030800100000100,0400000000b041,000000000000000003008000000000000040040000000000000000000010200000000600402800,0000001810840020125414cf29b2906b866d6b7f1f,0,12,27,3,0,5,40,42,0.434,3.654,0,-1.0,5.38135e-13,-,1.0456,-,1.0456,https://www.genome.jp/dbget-bin/www_bget?dr:D02096
4212,D07595, Fosphenytoin sodium hydrate (JAN), Hydantoin derivatives,N03AB05,NERVOUS SYSTEM,C1(C(=O)N(C(=O)N1)COP(=O)(O)O)(c1ccccc1)c1ccccc1,362.274,1.8155,94.4738,125.98,21,3,8,XWLUWCNOOVRFPX-UHFFFAOYSA-N,C16H15N2O6P,O=C1N(COP(=O)(O)O)C(=O)NC1(c1ccccc1)c1ccccc1,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",-10.5456,-10.5351,-10.2556,-7.5276,-5.3056,-4.6979,3.2753,3.3871,3.4636,4.9803,5.0641,D07595_N03AB05,00860080006004a0030006008001000c000001c000000002000000a00000000038004081000000010096213c000102800500000000010000002000022840000008001c0000000040402002000098000501b0004000002039400b08000002c0000c300003044040200080010004000000300e0100040110040030800100000100,0400000000b041,000000000000000003008000000000000040040000000000000000000010200000000600402800,0000001810840020125414cf29b2906b866d6b7f1f,0,12,27,3,0,5,40,42,0.43200000000000005,3.6519999999999997,0,0.0,5.37704e-13,-,1.0456,-,1.0456,https://www.genome.jp/dbget-bin/www_bget?dr:D07595
4213,D00495, Paramethadione (INN), Oxazolidine derivatives,N03AC01,NERVOUS SYSTEM,[C@]1(C(=O)N(C(=O)O1)C)(CC)C,157.167,0.7016,42.372,46.61,15,0,4,VQASKUSHBVDKGU-ZETCQYMHSA-N,C7H11NO3,CCC1(C)OC(=O)N(C1=O)C,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3/t7-/m0/s1",-5.2448,-3.8221,-3.5434,-3.4975,-2.5416,-1.8802,1.4947,1.5019999999999998,1.5528,1.6763,1.8463,D00495_N03AC01,00020002000000800100040000020000000000100000001002100000000000003800000000000013500e041000000200010000000008000000000080000006000800180000100000000100000280000400d000400000200080000000000200000000000000000200008000008000000000060100000310000050400000000000,0400000030a001,030000000000000000008000000000000040000100000000000000000000000000000400402004,0000400000000001820414d900aa96478851bafe19,0,0,20,2,0,1,22,22,-11.036,0.022000000000000002,1,,0.004430102,-,0.5832,-,0.5832,https://www.genome.jp/dbget-bin/www_bget?dr:D00495
4214,D00392, Trimethadione (JP17/INN), Oxazolidine derivatives,N03AC02,NERVOUS SYSTEM,C1(C(=O)N(C(=O)O1)C)(C)C,143.141,0.3115,37.565,46.61,13,0,4,IRYJRGCIQBGHIV-UHFFFAOYSA-N,C6H9NO3,O=C1OC(C(=O)N1C)(C)C,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,-5.2261,-3.8301,-3.534,-3.5,-2.5376,-1.8985,1.4905,1.4991,1.5478,1.6911,1.8525,D00392_N03AC02,00020002000000800100040000020000000000000000001002000000000000003800000000000012100e001000000200000000000008000000000080000006000800180000100000000000000280000000d000400000200000000000000200000000000000000200008000008000000000060000000210000050400000000000,0400000030a001,010000000000000000008000000000000040000100000000000000000000000000000400400000,0000400000000001820614d900a290478051bafa19,0,0,17,2,0,0,19,19,-11.059000000000001,-0.006999999999999999,0,,0.001984291,-,0.363,-,0.363,https://www.genome.jp/dbget-bin/www_bget?dr:D00392
4215,D00539, Ethosuximide (JP17/USP/INN), Succinimide derivatives,N03AD01,NERVOUS SYSTEM,[C@@]1(C(=O)NC(=O)C1)(CC)C,141.168,0.778,40.5057,46.17,14,1,3,HAPOVYFOVVWLRS-ZETCQYMHSA-N,C7H11NO2,CC1(CC)CC(=O)NC1=O,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1",-3.8296,-3.827,-2.967,-2.9629,-2.5913,-1.3665,1.0354,1.455,1.4576,1.7591,1.7618,D00539_N03AD01,0002000000000000010004000200000000000010000000000000000000000000180010000000000000060410000002000102000000000000000000000000000000000000000000000000000002800004001001400000200080000000000000000000002000000000100000000000000000040000000010000010000100000300,0400000000a001,0b0000000000000000008000000100000000000000000000000000000000000000000400402804,00000000000000000200048f80e01e41884170ee19,0,0,19,2,0,1,21,21,-11.056,0.09300000000000001,1,-1.0,0.010581676000000002,-,0.57,-,0.57,https://www.genome.jp/dbget-bin/www_bget?dr:D00539
4216,D00508, Phensuximide (USP/INN), Succinimide derivatives,N03AD02,NERVOUS SYSTEM,[C@H]1(c2ccccc2)C(=O)N(C(=O)C1)C,189.21099999999998,1.0968,55.733000000000004,37.38,14,0,3,WLWFNJKHKGIJNW-VIFPVBQESA-N,C11H11NO2,CN1C(=O)CC(C1=O)c1ccccc1,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1",-3.8217,-3.8192,-2.5257,-2.5197,-1.3562,-1.3546,0.9949,1.0247,1.1079,1.4926,1.4932,D00508_N03AD02,00068000002000000b00060002000004000000100000000000000080000800001800408100000000000624180001020001020000080000000000000200000000000004000000004000000000028000050090004000003008c0080800800800000400000000000000100000000000000000060100000110000012000000000200,0400000000b001,060000000000000000008000400000000000000000000000000000000000000000000600402805,00000000000000200004149900681843884128ea1f,0,6,18,2,0,1,25,26,-10.18,0.113,1,,0.050747521,-,0.7937,-,0.7937,https://www.genome.jp/dbget-bin/www_bget?dr:D00508
4217,D00404, Methsuximide (USP), Succinimide derivatives,N03AD03,NERVOUS SYSTEM,[C@]1(c2ccccc2)(C(=O)N(C(=O)C1)C)C,203.237,1.2709,60.423,37.38,16,0,3,AJXPJJZHWIXJCJ-GFCCVEGCSA-N,C12H13NO2,CN1C(=O)CC(C1=O)(C)c1ccccc1,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3/t12-/m1/s1",-3.8234,-3.8182,-2.5244,-2.5166,-1.361,-1.3559,0.9955,1.0269,1.0965,1.4901,1.4921,D00404_N03AD03,00068000002000000b00060002000004000000100000000000000080000800001800408100000000000624180001020001020000080000000000000200000000000004000000004000000000028000050090004000003008c0080800800800000400000000000000100000000000000000060100000110000012000000000200,0400000000b001,0b0000000000000000008000400000000000000000000000000000000000000000000600402805,00000000000000200204149900e81c43884138ea1f,0,6,21,2,0,1,28,29,-10.226,0.177,1,,0.074723676,-,0.5652,-,0.5652,https://www.genome.jp/dbget-bin/www_bget?dr:D00404
4218,D00280, Clonazepam (JP17/USP/INN), Benzodiazepine derivatives,N03AE01,NERVOUS SYSTEM,C1(=NCC(=O)Nc2c1cc(cc2)[N](=O)O)c1ccccc1Cl,316.719,3.0259,90.2912,91.12,16,2,3,JZLZOSQNCJIHLW-UHFFFAOYSA-N,C15H11ClN3O3,O=C1CN=C(c2c(N1)ccc(c2)[N](=O)O)c1ccccc1Cl,"InChI=1S/C15H11ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)(H,21,22)",-5.3019,-4.2996,-3.7834,-3.2754,-2.8776,-2.3386,1.6594,1.6814,1.8163,1.9994,2.0505,D00280_N03AE01,0006033480000044038006009880480aa030004510000040000200e08020040010044000002000224007042800241240000000000080000801008012008824001000180040011620008010000480010200ac00402400280c610e2900000340140000240100000410400008002040004000060108211120001010040002c00008,0500000000f001,000000000000080000008000200000000000000000040000000000000000000000004640c03a00,000084000000816070e04068f865d04bfee56b6b1f,0,12,20,3,0,2,33,35,-10.22,-1.993,0,,0.896257937,+,0.7305,-,0.7305,https://www.genome.jp/dbget-bin/www_bget?dr:D00280
4219,D00252, Carbamazepine (JP17/USP/INN), Carboxamide derivatives,N03AF01,NERVOUS SYSTEM,c12N(c3c(C=Cc1cccc2)cccc3)C(=O)N,236.269,4.1525,76.0464,46.33,15,1,2,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C15H12N2O,NC(=O)N1c2ccccc2C=Cc2c1cccc2,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",-5.8096,-4.6072,-4.218,-4.2138,-2.0868,-1.3009,1.0248,1.1512,1.4443,1.8069,1.8405,D00252_N03AF01,00400000000000040100260000804000801200401020400200000082000010000080400010200220000400180000004000000000020000080000000200040400000000004200028000001000008000000080004004012800400840000020000041240200900000800200000400000000000a0100000100000000000002000000,0000000000b041,100000000000000000000000000000000040040000000000000000000000000000004640432800,0000040010000000001418001423100340a1492a1f,0,12,18,2,0,1,30,32,-8.708,-0.66,0,-1.0,0.163536042,+,0.3911,+,0.3911,https://www.genome.jp/dbget-bin/www_bget?dr:D00252
4220,D00533, Oxcarbazepine (JAN/USAN/INN), Carboxamide derivatives,N03AF02,NERVOUS SYSTEM,C1(=O)c2c(N(c3c(C1)cccc3)C(=O)N)cccc2,252.268,3.4075,75.3579,63.4,16,1,3,CTRLABGOLIVAIY-UHFFFAOYSA-N,C15H12N2O2,O=C1Cc2ccccc2N(c2c1cccc2)C(=O)N,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",-5.8133,-4.6107,-4.2197,-4.2105,-2.8138,-2.085,1.113,1.1517,1.4452,1.7991,1.839,D00533_N03AF02,014500208020008003002600008000008010000018000002000200800008100014004000002000200006120800050040410000000a8000080000000200c00400000000004000024000001000008000010090004024003808400848000028800041200800100000000200010000000000000a0100000100000008000002000000,1400000000b041,020000000000010000000000000000004043040000000000000000000000000000004640402801,00000400100000000014180011231043c8e1c96a1f,0,12,19,2,0,1,31,33,-9.7,-0.381,0,,0.411045194,+,0.7709,+,0.7709,https://www.genome.jp/dbget-bin/www_bget?dr:D00533
4221,D05775, Rufinamide (JAN/USAN/INN), Carboxamide derivatives,N03AF03,NERVOUS SYSTEM,c1ccc(c(c1F)Cn1nnc(c1)C(=O)N)F,238.19400000000002,1.4038,53.7819,73.8,12,1,5,POGQSBRIGCQNEG-UHFFFAOYSA-N,C10H8F2N4O,Fc1cccc(c1Cn1nnc(c1)C(=O)N)F,"InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)",-6.0403,-4.7891,-4.2251,-4.2092,-1.4037,-1.2237,1.1244,1.179,1.2438,1.8396,1.8575,D05775_N03AF03,0086200410000c90098106000400000401200010000000000000008000002000080040810010000100860418800002000110040000004000040000820002000a0c200c000000050000100000a4980000008820c000001100c0680110000000000014000000400004100000004000080010060102020150601812005400000000,0400000000b001,000000000000000000008000060000004002000000089800000000000000000000000640403800,000000000002080021d44ce80964900b22a1682f1f,2,11,14,1,0,3,25,26,-10.423,-0.495,0,1.0,0.060144212,+,0.4096,-,0.4096,https://www.genome.jp/dbget-bin/www_bget?dr:D05775
4222,D09215, Eslicarbazepine (USAN/INN), Carboxamide derivatives,N03AF04,NERVOUS SYSTEM,c12N(c3c(C[C@@H](c1cccc2)O)cccc3)C(=O)N,254.28400000000002,3.2582,76.0982,66.56,18,2,3,BMPDWHIDQYTSHX-AWEZNQCLSA-N,C15H14N2O2,OC1Cc2ccccc2N(c2c1cccc2)C(=O)N,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1",-5.8127,-4.6071,-4.2185,-4.2148,-2.8982,-2.0795,1.2513,1.4092,1.4395,1.7936,1.8361,D09215_N03AF04,004500208000004003102600008000008010000018000002000000800008100010004000002000212004104800010040410000000a0000080000000200c004080800080040000600000010000080000400900040a4003808400848000029000041200000100000000240000040000000000a0100000100000000000002000200,0000002c00b041,022800000000000000000000000000000040040000000000000000000000000000004600402804,000004001000000000141800912310434ce5c97a1f,0,12,22,1,0,1,33,35,-9.642999999999999,0.009000000000000001,1,0.0,0.269489199,-,0.8849,+,0.8849,https://www.genome.jp/dbget-bin/www_bget?dr:D09215
4223,D09612, Eslicarbazepine acetate (USAN), Carboxamide derivatives,N03AF04,NERVOUS SYSTEM,c12N(c3c(C[C@@H](c1cccc2)OC(=O)C)cccc3)C(=O)N,296.32099999999997,3.8289999999999997,85.8354,72.63,21,1,4,QIALRBLEEWJACW-INIZCTEOSA-N,C17H16N2O3,CC(=O)OC1Cc2ccccc2N(c2c1cccc2)C(=O)N,"InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1",-5.7824,-4.6112,-4.3999,-4.2141,-4.2134,-3.0143,1.4381,1.5381,1.6861,1.7663,1.8176,D09612_N03AF04,00450020800000400314260000820000801000001800080200200080000c10401001c00000200021200e104820010140410000000a00000c0000000200c006080800080240000600000011000080000400900060a4003808400848000029000041200000100000000240000050000000000a0100000100000000000002000200,0400000030b045,030000000000000000009000000000000040040000000000000000000000000000004600402805,000004001000000000141800112b1067c8e1cbfa1f,0,12,26,2,0,3,38,40,-9.618,-0.001,1,1.0,0.366940975,+,1.0863,+,1.0863,https://www.genome.jp/dbget-bin/www_bget?dr:D09612
4224,D00399, Valproic acid (USP), Fatty acid derivatives,N03AG01,NERVOUS SYSTEM,C(CCC)(CCC)C(=O)O,144.211,2.2874,42.3418,37.3,17,1,2,NIJJYAXOARWZEE-UHFFFAOYSA-N,C8H16O2,CCCC(C(=O)O)CCC,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",-4.5762,-4.4092,-1.3306,-0.23800000000000002,-0.2067,0.0,0.0,0.0,0.1829,0.3825,2.366,D00399_N03AG01,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,070000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000600082684010414d608,0,0,24,1,0,5,26,25,-4.162,6.895,0,,,-,0.8039,-,0.8039,https://www.genome.jp/dbget-bin/www_bget?dr:D00399
4225,D00304, Divalproex sodium (USP), Fatty acid derivatives,N03AG01,NERVOUS SYSTEM,C(CCC)(CCC)C(=O)O,144.211,2.2874,42.3418,37.3,17,1,2,NIJJYAXOARWZEE-UHFFFAOYSA-N,C8H16O2,CCCC(C(=O)O)CCC,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",-4.5609,-4.4344,-1.3321,-0.2374,-0.2059,0.0,0.0,0.0,0.1814,0.3802,2.3705,D00304_N03AG01,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,070000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000600082684010414d608,0,0,24,1,0,5,26,25,-4.162,6.899,0,1.0,,-,0.8039,-,0.8039,https://www.genome.jp/dbget-bin/www_bget?dr:D00304
4226,D00710, Valproate sodium (USAN), Fatty acid derivatives,N03AG01,NERVOUS SYSTEM,C(CCC)(CCC)C(=O)O,144.211,2.2874,42.3418,37.3,17,1,2,NIJJYAXOARWZEE-UHFFFAOYSA-N,C8H16O2,CCCC(C(=O)O)CCC,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",-4.5643,-4.4787,-1.3457,-0.2381,-0.2042,0.0,0.0,0.0,0.1835,0.3778,2.3946,D00710_N03AG01,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,070000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000600082684010414d608,0,0,24,1,0,5,26,25,-4.1610000000000005,6.9,0,0.0,,-,0.7803,-,0.7803,https://www.genome.jp/dbget-bin/www_bget?dr:D00710
4227,D08667, Calcium valproate, Fatty acid derivatives,N03AG01,NERVOUS SYSTEM,C(=O)(O)C(CCC)CCC,144.211,2.2874,42.3418,37.3,17,1,2,NIJJYAXOARWZEE-UHFFFAOYSA-N,C8H16O2,CCCC(C(=O)O)CCC,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",-4.5636,-4.4087,-1.3308,-0.2374,-0.20600000000000002,0.0,0.0,0.0,0.1811,0.3812,2.3643,D08667_N03AG01,00000000000002000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000000000800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,070000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000600082684010414d608,0,0,24,1,0,5,26,25,-4.162,6.899,0,-2.0,,-,0.7803,-,0.7803,https://www.genome.jp/dbget-bin/www_bget?dr:D08667
4228,D02766, Valpromide (INN), Fatty acid derivatives,N03AG02,NERVOUS SYSTEM,C(CCC)(CCC)C(=O)N,143.227,2.3884,43.4774,43.09,19,1,2,OMOMUFTZPTXCHP-UHFFFAOYSA-N,C8H17NO,CCCC(C(=O)N)CCC,"InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",-4.6632,-4.2385,-4.0802,-3.7351,-1.2109,-0.9338,0.1198,0.3295,1.1267,1.402,1.4606,D02766_N03AG02,0000000000000200000004000000000000000000000000000000000000000000100000000000000000060010000000000100000000200000000000000000000000000000000000000000000000800004001001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000100,0400000000a000,070000000000000000008000060000000000000000000000000000000000000000000000402800,00000000000000000000080e00283680010054ae09,0,0,25,1,0,5,27,26,-10.450999999999999,1.595,0,0.0,,-,0.7763,-,0.7763,https://www.genome.jp/dbget-bin/www_bget?dr:D02766
4229,D00058, gamma-Aminobutyric acid (JAN), Fatty acid derivatives,N03AG03,NERVOUS SYSTEM,C(C(=O)O)CC[NH3+],104.12799999999999,-0.9069,27.0789,64.94,11,2,2,BTCSSZJGUNDROE-UHFFFAOYSA-O,C4H10NO2+,[NH3+]CCCC(=O)O,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p+1",-5.3859,-5.3803,-5.313,-4.5956,-4.4355,-4.1975,1.7877,1.8022,1.8334,2.3879,2.3946,D00058_N03AG03,00000000000000000000040000000000000000000000000000000000000000001000000000000001000a0010000000000100000000004000000000000000000008000800000000000000000000800004001000400000000080000000000000000000000000000000000000000000100000040000000000000000000000000200,0500000c00e002,0200c0000400000000008800000000000000000000000000000000000000000000000000c02a00,000000000000010000000206884020040c04447709,0,0,15,1,0,3,17,16,-7.233,-1.614,0,,,-,0.436,-,0.436,https://www.genome.jp/dbget-bin/www_bget?dr:D00058
4230,D00535, Vigabatrin (JAN/USAN/INN), Fatty acid derivatives,N03AG04,NERVOUS SYSTEM,[C@H](CCC(=O)O)(C=C)[NH3+],130.165,-0.3523,36.2189,64.94,13,2,2,PJDFLNIOAUIZSL-RXMQYKEDSA-O,C6H12NO2+,OC(=O)CCC([NH3+])C=C,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/p+1/t5-/m1/s1",-5.3928,-5.3921,-5.3507,-5.3154,-4.6147,-4.3914,1.979,1.9861,1.9916,2.3727,2.3862,D00535_N03AG04,00000000000000040000040000000000000000800000000000000000000000001000000000000001000a0010000000000100000000004000000100000000000008000800000400000000000000800004001000400000000088801000000000000004000000000000000000000000180000040000000000000000000100000300,0500000c00e002,1200c0000400000000008800000000000000000000000000000000000000000000000000c02a04,000000000200010000000002844020040c04447e09,0,0,18,2,0,4,21,20,-7.3420000000000005,-1.527,1,,,-,0.6874,-,0.6874,https://www.genome.jp/dbget-bin/www_bget?dr:D00535
4231,D05621, Progabide (USAN/INN), Fatty acid derivatives,N03AG05,NERVOUS SYSTEM,c1(ccc(cc1)Cl)/C(=N/CCCC(=O)N)/c1cc(ccc1O)F,334.773,3.9879,88.7064,75.68,20,2,4,IBALRBWGSVJPAP-HEHNFIMWSA-N,C17H16ClFN2O2,NC(=O)CCCN=C(c1cc(F)ccc1O)c1ccc(cc1)Cl,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+",-4.8074,-4.2182,-4.2178,-3.8517,-2.1466,-1.7046,1.1423,1.2045,1.4487,1.4944,2.3080000000000003,D05621_N03AG05,0006020000080042028006008800000809000040000004c0000000a0002000001200400200100000000700380000000001004200000000000000000200080000082008001000040000b00000268000060098025000000008c1280c0000010000000200010000001210000000022040400006010e000130200800040000800200,0400000402b001,0200000000000800000080000600000000000000000d0000000000000000000000000240403800,00000000000200000020480ec96471402ce4e57f1f,1,12,26,2,0,6,39,40,-9.338,-0.419,0,-2.0,0.814611733,-,0.6565,-,0.6565,https://www.genome.jp/dbget-bin/www_bget?dr:D05621
4232,D08588, Tiagabine (INN), Fatty acid derivatives,N03AG06,NERVOUS SYSTEM,C(=CCC[N@H+]1C[C@@H](CCC1)C(=O)O)(c1c(ccs1)C)c1c(ccs1)C,376.556,5.1969,112.594,98.22,27,2,4,PBJUNZJWGZTSKL-MRXNPFEDSA-O,C20H26NO2S2+,OC(=O)C1CCC[NH+](C1)CCC=C(c1sccc1C)c1sccc1C,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1",-5.992999999999999,-4.6174,-4.6029,-4.5489,-4.5371,-4.3826,1.574,1.9421,2.0412,2.3685,2.5109,D08588_N03AG06,4026c30000000004020c060080014002040001500020410000000024011000031000500080c00001800a087800081000050200001000d0804a008012004c20000800080002300000010020011a80000c801001d00002a0008800580000000004012c002180048880040000000040180200060000000b10000000000900040900,0500000c00f003,17004002040000000000880000000000000000000000c000000000000000000000000640c02a04,0000000008001300000cb7868f40a08705877cf71f,0,10,41,2,0,6,51,53,-7.772,-1.074,2,-1.0,0.236844525,-,2.1793,-,2.1793,https://www.genome.jp/dbget-bin/www_bget?dr:D08588
4233,D02097, Tiagabine hydrochloride (USP), Fatty acid derivatives,N03AG06,NERVOUS SYSTEM,C(=CCC[N@H+]1C[C@@H](CCC1)C(=O)O)(c1c(ccs1)C)c1c(ccs1)C,376.556,5.1969,112.594,98.22,27,2,4,PBJUNZJWGZTSKL-MRXNPFEDSA-O,C20H26NO2S2+,OC(=O)C1CCC[NH+](C1)CCC=C(c1sccc1C)c1sccc1C,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1",-6.0104,-4.6045,-4.5806,-4.5791,-4.4988,-4.3893,1.581,1.9136,1.9881,2.3651,2.4744,D02097_N03AG06,4026c30000000004020c060080014002040001500020410000000024011000031000500080c00001800a087800081000050200001000d0804a008012004c20000800080002300000010020011a80000c801001d00002a0008800580000000004012c002180048880040000000040180200060000000b10000000000900040900,0500000c00f003,17004002040000000000880000000000000000000000c000000000000000000000000640c02a04,0000000008001300000cb7868f40a08705877cf71f,0,10,41,2,0,6,51,53,-7.772,-1.074,2,1.0,0.23695319899999998,-,2.1793,-,2.1793,https://www.genome.jp/dbget-bin/www_bget?dr:D02097
4234,D01787, Sulthiame (USAN), Other antiepileptics,N03AX03,NERVOUS SYSTEM,C1CCCN(S1(=O)=O)c1ccc(cc1)S(=O)(=O)N,290.35900000000004,3.1909,71.0424,114.3,20,1,6,HMHVCUVYZFYAJI-UHFFFAOYSA-N,C10H14N2O4S2,O=S1(=O)CCCCN1c1ccc(cc1)S(=O)(=O)N,"InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)",-12.154000000000002,-9.3831,-9.373,-8.6227,-8.6094,-7.8660000000000005,2.5538,3.6643,3.6657,3.9048,3.906,D01787_N03AX03,60020101000000000000062000800000cc000010000200000040000080000002380044180101002001080098000010c0017000000000000800000000200004000000020040006a8001000400020400000080046004242000c008400000000000080000000000020000210000100000a00006b001020010010020802412400000,0000000000b001,020000000000000000000000000000000000000000000000000024000000000000000640402801,00000080090044be140589202ac2b0cbdb6b6f691f,0,6,23,4,0,2,32,33,-10.183,-1.54,0,0.0,0.032377556,+,0.8058,-,0.8058,https://www.genome.jp/dbget-bin/www_bget?dr:D01787
4235,D00504, Phenacemide (JAN/INN), Other antiepileptics,N03AX07,NERVOUS SYSTEM,c1(CC(=O)NC(=O)N)ccccc1,178.188,1.5152,47.3201,72.19,14,2,4,XPFRXWCVYUEORT-UHFFFAOYSA-N,C9H10N2O2,O=C(Cc1ccccc1)NC(=O)N,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",-5.818,-4.657,-4.2243,-4.2041,-3.7785,-3.5424,1.7955,1.8052,1.8369,2.2594,2.4755,D00504_N03AX07,00060000002000000300060000000004000000000000000000000080000000001800408100000000000621180000020000000000000000000000000208000000000000000000004000000000009000010090004000002008400808000000000004200000000000000000000000000000000e0100000110000010000000000000,0400000000b041,020000000000000000008000000000000040040000000000000000000000000000000200402800,00000000100400000010080d816210008c20406e1f,0,6,15,2,0,4,23,23,-10.017999999999999,0.435,0,,0.01934151,+,0.5213,-,0.5213,https://www.genome.jp/dbget-bin/www_bget?dr:D00504
4236,D00354, Lamotrigine (JAN/USAN/INN), Other antiepileptics,N03AX09,NERVOUS SYSTEM,c1(c2c(c(ccc2)Cl)Cl)c(nc(nn1)N)N,256.091,3.1722,64.0918,90.71,12,2,5,PYZRQGJRPPTADH-UHFFFAOYSA-N,C9H7Cl2N5,Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",-6.7382,-5.1263,-5.1262,-5.1121,-5.0943,-4.8054,1.8676,2.0999,2.1088,2.5147,3.4609,D00354_N03AX09,00002a10800a0040011006000c4001006000000000020010000218800124040000404100400800210091000820000000006024400000000500208002008102000c601c8000000380000000000400000200980040000000004208001100010000000a080c000000850c80002040800003300a0101801100e00800008003800000,0000000000b021,000000080000000000000000000000010000000000049000000000000000000000000600403800,000000012000182001d048204206800974a1612817,0,12,12,0,0,1,23,24,-9.301,-0.317,0,,0.16897040600000002,+,0.5846,-,0.5846,https://www.genome.jp/dbget-bin/www_bget?dr:D00354
4237,D00536, Felbamate (USAN/INN), Other antiepileptics,N03AX10,NERVOUS SYSTEM,C(c1ccccc1)(COC(=O)N)COC(=O)N,238.24,2.3614,59.3988,104.64,20,2,6,WKGXYQFOCVYPAC-UHFFFAOYSA-N,C11H14N2O4,NC(=O)OCC(c1ccccc1)COC(=O)N,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",-6.6234,-6.5959,-5.277,-5.2577,-4.2257,-4.2243,2.0278,2.0279,2.2582,2.2605,2.8832,D00536_N03AX10,00040000000000000a00060000020000000000000000000002000480000000001000400000000001000c001800000000000000000000000500000002000002080800180000000400000100000080000000800040000000084008080100000000400000000000000000000000c000000000020100000100000000400000000000,0000000030b001,040000000000000000000000000000000040000100000000000000000000000000000200402800,00004000000000000000080300321024842a427f1f,0,6,23,2,0,7,31,31,-10.029,0.489,0,1.0,0.082379915,+,0.4129,-,0.4129,https://www.genome.jp/dbget-bin/www_bget?dr:D00536
4238,D00537, Topiramate (JAN/USAN/INN), Other antiepileptics,N03AX11,NERVOUS SYSTEM,[C@]12([C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)OC(O1)(C)C)COS(=O)(=O)N,339.36199999999997,1.3857,71.7514,123.92,30,1,9,KJADKKWYZYXHBB-XBWDGYHZSA-N,C12H21NO8S,NS(=O)(=O)OCC12OCC3C(C2OC(O1)(C)C)OC(O3)(C)C,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",-13.6675,-10.5276,-10.5066,-6.7123,-5.8061,-5.8041,2.5319,3.319,3.6719,3.6891,4.4053,D00537_N03AX11,600001000800a00000000000018202002004002400000040010000000504000510001008a000000510000010200010100100000000a0c01100a000000000800008902a000200000003008002004000000080014000200000a000000100202000400400080028008004000000400128800001e100000000000000020100000000,0000040030a001,010000000000804000000000000000000000000000000000000001000000000000004401402804,00000000c180401b94038ca3329b902c8b1bdadd1d,0,0,43,2,0,3,43,45,-10.995,-0.7709999999999999,4,0.0,0.017892778,+,2.2986,-,2.2986,https://www.genome.jp/dbget-bin/www_bget?dr:D00537
4239,D00332, Gabapentin (JAN/USAN/INN), Other antiepileptics,N03AX12,NERVOUS SYSTEM,C1(CC(=O)O)(CCCCC1)C[NH3+],172.245,0.6535,48.7399,64.94,19,2,2,UGJMXCAKCUNAIE-UHFFFAOYSA-O,C9H18NO2+,[NH3+]CC1(CCCCC1)CC(=O)O,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)/p+1",-5.3838,-5.3798,-5.3055,-4.5931,-4.4234,-4.1791,1.7761,1.7776,1.8761,2.3694,2.3701,D00332_N03AX12,00000000000002000000040000000000000000000000000000000000000000001000000000000001100a0010000000000100000000204002000000000000000008000800000000000000800008800004001001400000000080000000000000000000000000000000000000000000180000040000000000000000000100000300,0500000c00e003,0a00c0000400000000008800000000000000000000000000000000000000000000000000c02a00,000000000000010002000206888020840d0444771d,0,0,29,1,0,3,30,30,-8.167,-0.31,0,,4.62648e-05,-,0.262,-,0.262,https://www.genome.jp/dbget-bin/www_bget?dr:D00332
4240,D01190, Ethylphenacemide (JAN), Other antiepileptics,N03AX13,NERVOUS SYSTEM,c1ccc(cc1)[C@@H](C(=O)NC(=O)N)CC,206.24099999999999,2.4663,56.9341,72.19,18,2,4,AJOQSQHYDOFIOX-VIFPVBQESA-N,C11H14N2O2,CCC(c1ccccc1)C(=O)NC(=O)N,"InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)/t9-/m0/s1",-5.8332,-4.645,-4.2234,-4.2025,-3.7792,-3.5474,1.7957,1.8059,1.8503,2.2624,2.4783,D01190_N03AX13,00060000002008000300060000000004000000100000000000000080000000001800408100000000000625180001020001000000000000000000000208000000000000000000004000000000009000050090004000003008c00808000008000004200000000000000000000000000000000e0100000110000010000000000000,0400000000b041,070000000000000000008000000000000040040000000000000000000000000000000200402804,00000000100400000010080b01221200842040ee1f,0,6,21,2,0,5,29,29,-10.014,0.402,1,1.0,0.041276243,+,0.8353,+,0.8353,https://www.genome.jp/dbget-bin/www_bget?dr:D01190
4241,D00709, Levetiracetam (JAN/USAN/INN), Other antiepileptics,N03AX14,NERVOUS SYSTEM,N1([C@@H](C(=O)N)CC)C(=O)CCC1,170.209,0.5109,48.3744,63.4,18,1,4,HPHUVLMMVZITSG-ZCFIWIBFSA-N,C8H14N2O2,CCC(N1CCCC1=O)C(=O)N,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1",-4.7922,-4.2209,-4.1903,-3.8935,-3.8226,-3.8016,1.5674,1.9138,2.1702,2.329,2.5854,D00709_N03AX14,0022800000400020010004000000000800000010000000000000000000000000180000020100000000060030000000000102000000000000000000000000000000000000000000800000000002800006003000400000200080000000000000000000002000000000100000000000000000040000000010000030000000000200,0400000000a001,030000000000000000008000260000000000000000000000000000000000000000000400402805,000000000000000000441cce086832c389616cef19,0,0,24,2,0,3,26,26,-9.83,0.937,1,0.0,0.01578751,-,0.616,-,0.616,https://www.genome.jp/dbget-bin/www_bget?dr:D00709
4242,D00538, Zonisamide (JAN/USAN/INN), Other antiepileptics,N03AX15,NERVOUS SYSTEM,c12c(noc1cccc2)CS(=O)(=O)N,212.226,2.3974,50.6464,94.57,12,1,5,UBQNRHZMVUUOMG-UHFFFAOYSA-N,C8H8N2O3S,NS(=O)(=O)Cc1noc2c1cccc2,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",-11.1475,-8.6365,-8.6334,-5.7845,-5.7816,-2.0934,2.4058,3.0559,3.5926,3.597,3.6948,D00538_N03AX15,300001c000000000008202050c00000009010008300000000000018000002000800049000000c0000802010808208000000000000000200000030202080200010c00040000000080411044002050000000800040002400004c48020000000204008000200400000010001000000204000002312200211a002000000480400000,0000000000b001,00000000000000000000000000000000000000000000b000000024000000000000004600402800,000000800100441b55818ca0b1c390098a21ca4d1f,0,10,11,2,0,2,22,23,-10.142000000000001,-1.341,0,1.0,0.025065117999999997,+,0.3075,-,0.3075,https://www.genome.jp/dbget-bin/www_bget?dr:D00538
4243,D02716, Pregabalin (JAN/USAN/INN), Other antiepileptics,N03AX16,NERVOUS SYSTEM,[C@H](CC(=O)O)(C[NH3+])CC(C)C,160.234,0.3653,46.3069,64.94,19,2,2,AYXYPKUFHZROOJ-ZETCQYMHSA-O,C8H18NO2+,[NH3+]CC(CC(=O)O)CC(C)C,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/p+1/t7-/m0/s1",-5.386,-5.3826,-5.3099,-4.6165,-4.3832,-4.1904,1.7814,1.7876,1.7947,2.3764,2.3887,D02716_N03AX16,00000000000000000000040000000000000000000000000000000000000000001000000000000001000a0010000000000100000000204000000000000000000008000800000000000000800008800004001001400000000080000000000000000000000000000000000000000000180000040000000000000000000100000300,0500000c00e002,0700c0000400000000008800000000000000000000000000000000000000000000000000c02a04,000000000000010000020206880804040c0450f709,0,0,27,1,0,5,29,28,-8.304,-0.37,1,,,-,0.5694,-,0.5694,https://www.genome.jp/dbget-bin/www_bget?dr:D02716
4244,D05928, Stiripentol (JAN/USAN/INN), Other antiepileptics,N03AX17,NERVOUS SYSTEM,c12c(ccc(c1)/C=C/[C@H](C(C)(C)C)O)OCO2,234.291,2.8355,67.5328,38.69,21,1,3,IBLNKMRFIPWSOY-VUDGCMKMSA-N,C14H18O3,OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+/t13-/m1/s1",-2.8699,-2.0271,-2.0256,-1.1569,-0.6027,-0.5736,0.4296,0.5146,0.5501,0.7842,1.2113,D05928_N03AX17,00010100000000040001020000024001000000e0002042000000008000100041100040002180000100000008000204000102020018000800000000020004000008802800030000010000002002400204008010400000004040081000000020000004000080000482000000000010000000020100080300200800004000000000,0000002c50b001,192800000000804000000000000000000000000000000000000000000000000000004640432004,00000008000000018202048014918104009592d11e,0,6,29,1,0,3,35,36,-8.856,-0.20800000000000002,1,1.0,0.264442325,+,0.9173,-,0.9173,https://www.genome.jp/dbget-bin/www_bget?dr:D05928
4245,D07299, Lacosamide (JAN/USAN/INN), Other antiepileptics,N03AX18,NERVOUS SYSTEM,c1(CNC(=O)[C@@H](COC)NC(=O)C)ccccc1,250.294,1.2357,67.3384,67.43,23,2,5,VPPJLAIAVCUEMN-GFCCVEGCSA-N,C13H18N2O3,COCC(C(=O)NCc1ccccc1)NC(=O)C,"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1",-4.3525,-4.3486,-3.8343,-3.8215,-3.7903,-3.7887,1.9068,2.0716,2.1443,2.1459,2.6002,D07299_N03AX18,000200000040042001000600000300080100008000008000000000c00100000018004002800000130086003800000080000200000000800000000002000020100800080000140000002000000288001200b000400000200040080100000000000810000200000000000020008000000000060104000110000060800000000000,0400000030b001,0180000000000000000080000a0000000000000000000000000000000000000000000200402804,00000000000020000040225f897814a0842252ff1f,0,6,28,2,0,8,36,36,-9.887,0.38799999999999996,1,1.0,0.030687744,-,0.4707,-,0.4707,https://www.genome.jp/dbget-bin/www_bget?dr:D07299
4246,D06573, Carisbamate (USAN), Other antiepileptics,N03AX19,NERVOUS SYSTEM,c1ccc(c(c1)[C@@H](COC(=O)N)O)Cl,215.63400000000001,2.169,51.5752,72.55,14,2,4,OLBWFRRUHYQABZ-MRVPVSSYSA-N,C9H10ClNO3,NC(=O)OCC(c1ccccc1Cl)O,"InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1",-6.6525,-5.2661,-4.2389,-4.2303,-3.5665,-2.8968,1.5367,1.5532,2.0471,2.0566,2.2419,D06573_N03AX19,00040200000000400200060000020000400000000000000002020480002000001000400800000005200d0008101400000000000000000004000000020000020808001800000004000001000004800002008a00400000000840080800000100004000000000000000004000004000000000020100000500000000400000800000,0000002c30b001,002800000000000000000000000000000040000100040000000000000000000000000200402804,000040000000000080004802c03610242c84e27f1f,0,6,17,1,0,4,24,24,-10.142000000000001,-0.055999999999999994,1,0.0,0.064991593,-,0.3049,-,0.3049,https://www.genome.jp/dbget-bin/www_bget?dr:D06573
4247,D09569, Ezogabine (USAN), Other antiepileptics,N03AX21,NERVOUS SYSTEM,c1c(ccc(c1)CNc1cc(c(cc1)NC(=O)OCC)N)F,303.33099999999996,4.3156,85.1908,76.38,23,3,5,PCOBBVZJEWWZFR-UHFFFAOYSA-N,C16H18FN3O2,CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F,"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)",-5.2248,-5.114,-5.0545,-4.9197,-4.5213,-4.3951,1.9054,1.9316,2.1059,2.3343,2.3345,D09569_N03AX21,00020000000104000180068000838000810000802004000002001080000008000000400002200120108c040800001040000050000008000800418002008006000800180040000400001010000088000200c000400400280040080000040200000010000200000000100000000000000000060102000110000010400002400000,0000000030b021,010040880000000000000000000000000040000100080000000000000000000000000200402800,000040000002300000c04a020836122474a261ff1f,1,12,28,1,0,7,40,41,-7.981,0.086,0,1.0,0.433525205,-,0.6225,-,0.6225,https://www.genome.jp/dbget-bin/www_bget?dr:D09569
4248,D08964, Perampanel (USAN), Other antiepileptics,N03AX22,NERVOUS SYSTEM,c1cc(c(cc1)c1cc(cn(c1=O)c1ccccc1)c1ncccc1)C#N,349.385,4.43818,105.421,58.68,18,0,4,PRMWGUBFXWROHD-UHFFFAOYSA-N,C23H15N3O,N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1,"InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H",-4.1028,-3.3546,-2.227,-1.7904,-1.1791,-1.0852,0.6897,0.7032,0.8117,0.9903,1.028,D08964_N03AX22,0002000000082400480406100cc040044100000040020008000008c003000400000470818044803010800098c90000400708c0000001a00404300082000042000c200c824000122000002000008883005080014004800004e0088050000111060010180003000010480000042210042010060110004100000102010102200000,00000000003011,0000000000000000000080002000000010010000000099000000000000000000000006c0402000,0000000000010020018410080220914350e1292a1f,0,24,19,1,1,3,42,45,-8.816,-0.809,0,-4.0,0.877699077,-,0.9144,-,0.9144,https://www.genome.jp/dbget-bin/www_bget?dr:D08964
4249,D08879, Brivaracetam (USAN/INN), Other antiepileptics,N03AX23,NERVOUS SYSTEM,N1([C@H](C(=O)N)CC)C(=O)C[C@H](C1)CCC,212.28900000000002,1.5371,62.7954,63.4,24,1,4,MSYKRHVOOPPJKU-BDAKNGLRSA-N,C11H20N2O2,CCCC1CN(C(=O)C1)C(C(=O)N)CC,"InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1",-4.7971,-4.2186,-4.1929,-3.9111,-3.8072,-3.7998,1.516,1.9129,2.2255,2.3265,2.6611,D08879_N03AX23,002280000040002001000400000000080000001000000000000000000000000018001002010000001006043000000000010200000020000000000000000000000000000000000080000000000a800006003001400000200080000000000000000000002000000000100000000000000000040000000010000030000100000300,0400000000a001,070000000000000000008000260000000000000000000000000000000000000000000400402805,000000000000000000441cce086836c389617cef19,0,0,33,2,0,5,35,35,-9.658,1.157,2,0.0,0.073705368,-,0.6829,-,0.6829,https://www.genome.jp/dbget-bin/www_bget?dr:D08879
4250,D07300, Beclamide (INN), Other antiepileptics,N03AX30,NERVOUS SYSTEM,c1cccc(c1)CNC(=O)CCCl,197.66099999999997,2.3226,53.6267,29.1,14,1,2,JPYQFYIEOUVJDU-UHFFFAOYSA-N,C10H12ClNO,ClCCC(=O)NCc1ccccc1,"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",-4.348,-3.8436,-3.8144,-3.2251,-1.2939,-0.9543,0.6205,0.9548,1.1156,1.4597,1.4755,D07300_N03AX30,000202010000042001000600000100002000008000000000000000c800000000180040000001000000870018000000800002000000000000000000020000000000000000000400000000000002880000009002400000200040080000000000000010000200000000000000000000000000060100000110000000800000000200,0400000000b001,8200000000000000000080000a0000000000000000000000000000000000000000000200402800,00000000000000000000020ac86030802902442f1f,0,6,18,1,0,5,25,25,-9.965,0.249,0,1.0,0.112216853,-,0.1495,-,0.1495,https://www.genome.jp/dbget-bin/www_bget?dr:D07300
4251,D08638, Trihexyphenidyl (INN), Tertiary amines,N04AA01,NERVOUS SYSTEM,c1cccc(c1)[C@@](C1CCCCC1)(CC[NH+]1CCCCC1)O,302.474,4.4826,98.4895,24.67,33,2,1,HWHLPVGTWGOCJO-HXUWFJFHSA-O,C20H32NO+,OC(c1ccccc1)(C1CCCCC1)CC[NH+]1CCCCC1,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2/p+1/t20-/m1/s1",-5.9792,-4.6084,-4.607,-4.6028,-2.8606,-2.3512,1.4534,1.4648,1.5551,1.5899,1.6051,D08638_N04AA01,00260000000002400a000600020000000000001000000000000000800100000010005000800000013000001800010000010200000020c002000000020000000008000c00000000000000a000020000000080015000003008c0080800000900000000002000000000004000000000080000060100020110000002000100000000,0100004c00f001,064840020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000001100020432068bc020830d07cd351f,0,6,50,0,0,5,54,56,-12.405,-3.655,1,2.0,0.111131534,-,1.5823,-,1.5823,https://www.genome.jp/dbget-bin/www_bget?dr:D08638
4252,D00787, Trihexyphenidyl hydrochloride (JP17/USP, Tertiary amines,N04AA01,NERVOUS SYSTEM,c1cccc(c1)[C@@](C1CCCCC1)(CC[NH+]1CCCCC1)O,302.474,4.4826,98.4895,24.67,33,2,1,HWHLPVGTWGOCJO-HXUWFJFHSA-O,C20H32NO+,OC(c1ccccc1)(C1CCCCC1)CC[NH+]1CCCCC1,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2/p+1/t20-/m1/s1",-6.041,-4.5805,-4.5763,-4.5063,-2.9046,-1.7095,1.4534,1.4569,1.5645,1.5717,1.5743,D00787_N04AA01,00260000000002400a000600020000000000001000000000000000800100000010005000800000013000001800010000010200000020c002000000020000000008000c00000000000000a000020000000080015000003008c0080800000900000000002000000000004000000000080000060100020110000002000100000000,0100004c00f001,064840020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000001100020432068bc020830d07cd351f,0,6,50,0,0,5,54,56,-12.402000000000001,-3.656,1,-1.0,0.111189552,-,1.5823,-,1.5823,https://www.genome.jp/dbget-bin/www_bget?dr:D00787
4253,D00779, Biperiden (JAN/USP/INN), Tertiary amines,N04AA02,NERVOUS SYSTEM,[C@@H]1([C@](c2ccccc2)(CC[NH+]2CCCCC2)O)[C@H]2C[C@@H](C1)C=C2,312.469,4.1145,100.709,24.67,31,2,1,YSXKPIUOCJLQIE-IZZBFERCSA-O,C21H30NO+,OC(C1CC2CC1C=C2)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/p+1/t17-,18+,20-,21+/m0/s1",-5.982,-4.6039,-4.5973,-4.5697,-2.8858,-2.3836,1.4445,1.4571,1.556,1.5935,1.5949,D00779_N04AA02,00260000000002640a000601020000000000009000404000002020800100200010005000808000013000001800010000012200000020c000200000020000000008000c00000400000000a000020002000080015000003008c8081800000900000204002000000000004000000000080000060100020110000002008100000000,0100004c00f001,164840020400000000000000000000000000000000000000000000000000000000008600c32204,0000000000001100020432868fc120830d07cd351f,0,6,49,1,0,5,53,56,-9.17,-3.745,4,,0.047264561,+,1.4466,-,1.4466,https://www.genome.jp/dbget-bin/www_bget?dr:D00779
4254,D02246, Biperiden hydrochloride (JP17/USP), Tertiary amines,N04AA02,NERVOUS SYSTEM,[C@@H]1([C@](c2ccccc2)(CC[NH+]2CCCCC2)O)[C@H]2C[C@H](C1)C=C2,312.469,4.1145,100.709,24.67,31,2,1,YSXKPIUOCJLQIE-RMVXJAJNSA-O,C21H30NO+,OC(C1CC2CC1C=C2)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/p+1/t17-,18-,20+,21-/m1/s1",-6.0003,-4.5961,-4.5866,-4.5713,-2.887,-2.245,1.4419,1.4613,1.5554,1.5928,1.5942,D02246_N04AA02,00260000000002640a000601020000000000009000404000002020800100200010005000808000013000001800010000012200000020c000200000020000000008000c00000400000000a000020002000080015000003008c8081800000900000204002000000000004000000000080000060100020110000002008100000000,0100004c00f001,164840020400000000000000000000000000000000000000000000000000000000008600c32204,0000000000001100020432868fc120830d07cd351f,0,6,49,1,0,5,53,56,-9.687999999999999,-3.819,4,,0.04671691,+,1.4466,-,1.4466,https://www.genome.jp/dbget-bin/www_bget?dr:D02246
4255,D02247, Biperiden lactate (JAN/USP), Tertiary amines,N04AA02,NERVOUS SYSTEM,[C@@H]1([C@](c2ccccc2)(CC[NH+]2CCCCC2)O)[C@H]2C[C@@H](C1)C=C2,312.469,4.1145,100.709,24.67,31,2,1,YSXKPIUOCJLQIE-IZZBFERCSA-O,C21H30NO+,OC(C1CC2CC1C=C2)(c1ccccc1)CC[NH+]1CCCCC1,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2/p+1/t17-,18+,20-,21+/m0/s1",-5.9767,-4.6015,-4.5886,-4.5537,-2.8848,-2.4135,1.4436,1.4587,1.5505,1.5891,1.5952,D02247_N04AA02,00260000000002640a000601020000000000009000404000002020800100200010005000808000013000001800010000012200000020c000200000020000000008000c00000400000000a000020002000080015000003008c8081800000900000204002000000000004000000000080000060100020110000002008100000000,0100004c00f001,164840020400000000000000000000000000000000000000000000000000000000008600c32204,0000000000001100020432868fc120830d07cd351f,0,6,49,1,0,5,53,56,-8.974,-3.918,4,2.0,0.04701369999999999,+,1.4466,-,1.4466,https://www.genome.jp/dbget-bin/www_bget?dr:D02247
4256,D08209, Metixene (INN), Tertiary amines,N04AA03,NERVOUS SYSTEM,c1ccc2c(c1)C(c1c(S2)cccc1)C[C@@H]1C[N@@H+](CCC1)C,310.476,5.1671,99.3267,29.74,25,1,1,MJFJKKXQDNNUJF-OAHLLOKOSA-O,C20H24NS+,C[NH+]1CCCC(C1)CC1c2ccccc2Sc2c1cccc2,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3/p+1/t15-/m1/s1",-6.0338,-4.6229,-4.62,-4.5983,-0.8516,-0.3904,1.4574,1.4591,1.4629,1.5787,1.5816,D08209_N04AA03,202601000001020002000700820200000010005000000000000000a0003000001900500000008000100000180001008001020000102020000400000200100004000000000000000000002000020000080080017000043008c0080800000810000240002100000000200010000000060000061100020112000002800100000000,0100000000f101,060050020400000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040004b3169a49ac8301834da517,0,12,37,0,0,2,46,49,-10.584000000000001,-3.8680000000000003,2,-1.0,0.21997928600000002,+,1.1955,-,1.1955,https://www.genome.jp/dbget-bin/www_bget?dr:D08209
4257,D01871, Methixene hydrochloride (USAN), Tertiary amines,N04AA03,NERVOUS SYSTEM,c1ccc2c(c1)C(c1c(S2)cccc1)C[C@@H]1C[N@@H+](CCC1)C,310.476,5.1671,99.3267,29.74,25,1,1,MJFJKKXQDNNUJF-OAHLLOKOSA-O,C20H24NS+,C[NH+]1CCCC(C1)CC1c2ccccc2Sc2c1cccc2,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3/p+1/t15-/m1/s1",-6.0341,-4.624,-4.6195,-4.5988,-0.8524,-0.3906,1.4576,1.4592,1.4633,1.5794,1.5811,D01871_N04AA03,202601000001020002000700820200000010005000000000000000a0003000001900500000008000100000180001008001020000102020000400000200100004000000000000000000002000020000080080017000043008c0080800000810000240002100000000200010000000060000061100020112000002800100000000,0100000000f101,060050020400000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040004b3169a49ac8301834da517,0,12,37,0,0,2,46,49,-10.585,-3.8689999999999998,2,0.0,0.21988101300000001,+,1.1955,-,1.1955,https://www.genome.jp/dbget-bin/www_bget?dr:D01871
4258,D08425, Procyclidine (INN), Tertiary amines,N04AA04,NERVOUS SYSTEM,[NH+]1(CC[C@](c2ccccc2)(C2CCCCC2)O)CCCC1,288.448,4.0925,93.6825,24.67,31,2,1,WYDUSKDSKCASEF-IBGZPJMESA-O,C19H30NO+,OC(c1ccccc1)(C1CCCCC1)CC[NH+]1CCCC1,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2/p+1/t19-/m0/s1",-6.0057,-4.6046,-4.5782,-4.5757,-2.8829,-2.1785,1.4280000000000002,1.4931,1.5626,1.5928,1.6082,D08425_N04AA04,00260000000002400a000600020000000000001000000000000000800100000010005000800000013000001800010000010200000020c002000000020000000008000c00000000000000a000020000000080014000003008c0080800000900000000002000000000104000000000080000060100020110000002000100000000,0100004c00f001,064840020400000000000000000000000000000000000000000000000000000000000600c02204,00000000000011000204368689c020830d07cd351f,0,6,47,0,0,5,51,53,-12.456,-3.6910000000000003,1,-2.0,0.057414584000000005,+,1.3718,-,1.3718,https://www.genome.jp/dbget-bin/www_bget?dr:D08425
4259,D00782, Procyclidine hydrochloride (USP), Tertiary amines,N04AA04,NERVOUS SYSTEM,[NH+]1(CC[C@](c2ccccc2)(C2CCCCC2)O)CCCC1,288.448,4.0925,93.6825,24.67,31,2,1,WYDUSKDSKCASEF-IBGZPJMESA-O,C19H30NO+,OC(c1ccccc1)(C1CCCCC1)CC[NH+]1CCCC1,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2/p+1/t19-/m0/s1",-5.997999999999999,-4.6041,-4.5989,-4.5792,-2.8865,-2.3701,1.435,1.4986,1.5448,1.5973,1.5994,D00782_N04AA04,00260000000002400a000600020000000000001000000000000000800100000010005000800000013000001800010000010200000020c002000000020000000008000c00000000000000a000020000000080014000003008c0080800000900000000002000000000104000000000080000060100020110000002000100000000,0100004c00f001,064840020400000000000000000000000000000000000000000000000000000000000600c02204,00000000000011000204368689c020830d07cd351f,0,6,47,0,0,5,51,53,-12.450999999999999,-3.6910000000000003,1,1.0,0.057413824,+,1.3718,-,1.3718,https://www.genome.jp/dbget-bin/www_bget?dr:D00782
4260,D08426, Profenamine (INN), Tertiary amines,N04AA05,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)C[C@@H](C)[NH+](CC)CC,313.48,3.6675,100.941,32.98,27,1,1,CDOZDBSBBXSXLB-OAHLLOKOSA-O,C19H25N2S+,CC[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)CC,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/p+1/t15-/m1/s1",-6.0122,-4.5601,-4.533,-4.4331,-2.0225,-1.9415,1.4418,1.5648,1.5784,1.5927,1.6957,D08426_N04AA05,2002010000a000000000060100820008800000001000200200030000004000001b0008020000802000000038000010c000000002020020080000002000100404020000004000022000200000020000000080006004402000400a0000002000000000000010000000002000000000042000061004200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040044b3009a498e0341b359ad17,0,12,37,0,0,5,47,49,-10.450999999999999,-3.946,1,0.0,0.047634769,+,0.6478,-,0.6478,https://www.genome.jp/dbget-bin/www_bget?dr:D08426
4261,D01118, Profenamine hydrochloride (JAN), Tertiary amines,N04AA05,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)C[C@@H](C)[NH+](CC)CC,313.48,3.6675,100.941,32.98,27,1,1,CDOZDBSBBXSXLB-OAHLLOKOSA-O,C19H25N2S+,CC[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)CC,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/p+1/t15-/m1/s1",-6.0126,-4.5496,-4.5332,-4.4409,-2.0248,-1.9256,1.4215,1.5623,1.5831,1.5895,1.6937,D01118_N04AA05,2002010000a000000000060100820008800000001000200200030000004000001b0008020000802000000038000010c000000002020020080000002000100404020000004000022000200000020000000080006004402000400a0000002000000000000010000000002000000000042000061004200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040044b3009a498e0341b359ad17,0,12,37,0,0,5,47,49,-10.45,-3.947,1,,0.047546502000000004,+,0.6478,-,0.6478,https://www.genome.jp/dbget-bin/www_bget?dr:D01118
4262,D03276, Profenamine hibenzate (JAN), Tertiary amines,N04AA05,NERVOUS SYSTEM,c12c(Sc3c(N1C[C@H]([NH+](CC)CC)C)cccc3)cccc2,313.48,3.6675,100.941,32.98,27,1,1,CDOZDBSBBXSXLB-OAHLLOKOSA-O,C19H25N2S+,CC[NH+](C(CN1c2ccccc2Sc2c1cccc2)C)CC,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/p+1/t15-/m1/s1",-6.0088,-4.5652,-4.5419,-4.4811,-2.0302,-1.9431,1.4426,1.5989,1.6016,1.6122,1.6935,D03276_N04AA05,2002010000a000000000060100820008800000001000200200030000004000001b0008020000802000000038000010c000000002020020080000002000100404020000004000022000200000020000000080006004402000400a0000002000000000000010000000002000000000042000061004200012000002800002400000,0100000000f121,010050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040044b3009a498e0341b359ad17,0,12,37,0,0,5,47,49,-10.453,-3.945,1,2.0,0.048491072,+,0.6478,-,0.6478,https://www.genome.jp/dbget-bin/www_bget?dr:D03276
4263,D03711, Dexetimide (USAN/INN), Tertiary amines,N04AA08,NERVOUS SYSTEM,[C@]1(CCC(=O)NC1=O)(c1ccccc1)[C@@H]1CC[N@@H+](CC1)Cc1ccccc1,363.473,3.7541,114.51,50.61,30,2,3,LQQIVYSCPWCSSD-HSZRJFAPSA-O,C23H27N2O2+,O=C1CCC(C(=O)N1)(C1CC[NH+](CC1)Cc1ccccc1)c1ccccc1,"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/p+1/t23-/m1/s1",-6.0493,-5.8351,-4.6176,-4.5789,-3.8272,-3.7987,1.8102,1.8609,1.9023,1.9180000000000001,2.0331,D03711_N04AA08,002640000020062003000600000100040000009000000000000000c00000000018005081000000003086241800010200010200000020000000000002000000000000000000040040000020001a8800050090015000003008c0080a00800810000410002200000000000000000000000000060100020110000010000100000100,0500000000f001,0e0040020400000000008000000100000000000000000000000000000000000000000600c02a04,00000000000001200204320f8ae0b0c38d636d6f1f,0,12,43,2,0,4,54,57,-12.850999999999999,-3.9210000000000003,1,0.0,0.14245066,+,1.3857,-,1.3857,https://www.genome.jp/dbget-bin/www_bget?dr:D03711
4264,D07804, Dexetimide hydrochloride, Tertiary amines,N04AA08,NERVOUS SYSTEM,[C@]1(CCC(=O)NC1=O)(c1ccccc1)[C@@H]1CC[N@@H+](CC1)Cc1ccccc1,363.473,3.7541,114.51,50.61,30,2,3,LQQIVYSCPWCSSD-HSZRJFAPSA-O,C23H27N2O2+,O=C1CCC(C(=O)N1)(C1CC[NH+](CC1)Cc1ccccc1)c1ccccc1,"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/p+1/t23-/m1/s1",-6.0605,-5.835,-4.6129,-4.581,-3.812,-3.792,1.8056,1.8715,1.89,1.8964,2.0271,D07804_N04AA08,002640000020062003000600000100040000009000000000000000c00000000018005081000000003086241800010200010200000020000000000002000000000000000000040040000020001a8800050090015000003008c0080a00800810000410002200000000000000000000000000060100020110000010000100000100,0500000000f001,0e0040020400000000008000000100000000000000000000000000000000000000000600c02a04,00000000000001200204320f8ae0b0c38d636d6f1f,0,12,43,2,0,4,54,57,-12.852,-3.92,1,0.0,0.142513663,+,1.3857,-,1.3857,https://www.genome.jp/dbget-bin/www_bget?dr:D07804
4265,D07301, Phenglutarimide (INN), Tertiary amines,N04AA09,NERVOUS SYSTEM,C1(=O)CC[C@](C(=O)N1)(CC[NH+](CC)CC)c1ccccc1,289.393,1.0046,88.5174,50.61,28,2,3,BFMBKRQFMIILCH-KRWDZBQOSA-O,C17H25N2O2+,CC[NH+](CCC1(CCC(=O)NC1=O)c1ccccc1)CC,"InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)/p+1/t17-/m0/s1",-6.0538,-4.5734,-4.5443,-4.5018,-3.8049,-3.7733,1.6082,1.6103,1.778,1.7834,1.8793,D07301_N04AA09,0026c000002000000b000600000000040000001000000000000000800000000018005081000000001006241800010200010200000020000000000002000000000000040000000040000020001a8000050090035000003008c0080a00800830000400002000000000000000000000000000060100020110000012000100000300,0500000000f001,0b0040020400000000008000000100000000000000000000000000000000000000000600c02a04,00000000000001200200320f8ae83ac38d637def1f,0,6,39,2,0,6,46,47,-13.228,-4.0,1,0.0,0.008386125999999999,+,0.4603,-,0.4603,https://www.genome.jp/dbget-bin/www_bget?dr:D07301
4266,D08157, Mazaticol (INN), Tertiary amines,N04AA10,NERVOUS SYSTEM,[C@H]12[N@@H+]([C@H](CCC1(C)C)C[C@@H](C2)OC(=O)C(c1cccs1)(c1sccc1)O)C,406.582,4.3922,114.948,107.45,31,2,5,AMHPTVWBZSYFSS-OWCLPIDISA-O,C21H28NO3S2+,C[NH+]1C2CCC(C1CC(C2)OC(=O)C(c1cccs1)(c1cccs1)O)(C)C,"InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/p+1/t14-,15+,16-/m1/s1",-5.9961,-4.7475,-4.6273,-4.5971,-4.5668,-4.4455,1.6527,1.6653,2.0637,2.1635,2.359,D08157_N04AA10,4026c100002082600600060080030000240000d00002000000000024010400021000500880001005900a085820280100150200000020d0040a0000020008a2080890080000200440000088001280000180d001d00002a00080004800000102004120002180000000004000004040080001170100000110000000000540040100,0500004c30f005,0b484002040000000000900000000000000000000000c000000000000000000000008600c02204,00000000080001008206959693c9ace70d55dffa1f,0,10,47,1,0,5,55,58,-11.107999999999999,-3.8280000000000003,4,1.0,0.20603846,+,2.0135,-,2.0135,https://www.genome.jp/dbget-bin/www_bget?dr:D08157
4267,D03264, Mazaticol hydrochloride hydrate (JAN), Tertiary amines,N04AA10,NERVOUS SYSTEM,[C@H]12[N@@H+]([C@H](CCC1(C)C)C[C@@H](C2)OC(=O)C(c1cccs1)(c1sccc1)O)C,406.582,4.3922,114.948,107.45,31,2,5,AMHPTVWBZSYFSS-OWCLPIDISA-O,C21H28NO3S2+,C[NH+]1C2CCC(C1CC(C2)OC(=O)C(c1cccs1)(c1cccs1)O)(C)C,"InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/p+1/t14-,15+,16-/m1/s1",-6.0360000000000005,-4.7905,-4.6136,-4.6,-4.5627,-4.4025,1.5857,1.5871,1.6514,2.0038,2.0725,D03264_N04AA10,4026c100002082600600060080030000240000d00002000000000024010400021000500880001005900a085820280100150200000020d0040a0000020008a2080890080000200440000088001280000180d001d00002a00080004800000102004120002180000000004000004040080001170100000110000000000540040100,0500004c30f005,0b484002040000000000900000000000000000000000c000000000000000000000008600c02204,00000000080001008206959693c9ace70d55dffa1f,0,10,47,1,0,5,55,58,-11.107999999999999,-3.8280000000000003,4,,0.205975235,+,2.0135,-,2.0135,https://www.genome.jp/dbget-bin/www_bget?dr:D03264
4268,D07302, Bornaprine (INN), Tertiary amines,N04AA11,NERVOUS SYSTEM,C1C[C@@H]2C[C@@]([C@H]1C2)(c1ccccc1)C(=O)OCCC[NH+](CC)CC,330.48400000000004,2.6024,99.7997,30.74,34,1,2,BDNMABJZSXTKAQ-DSKINZAPSA-O,C21H32NO2+,CC[NH+](CCCOC(=O)C1(CC2CC1CC2)c1ccccc1)CC,"InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3/p+1/t17-,19+,21-/m0/s1",-6.0331,-4.5685,-4.5599,-4.5333,-4.4344,-2.9786,1.4342,1.5084,1.5492,1.5843,1.5919999999999999,D07302_N04AA11,00060000002002000600060102020000000000000000000000000080010400001000400080000001000a001820010100010200000020c006000000020000a20808100800000004400000a8000a800005009000400000300840080800000800004000000000000000000000004000080000070100020110000000000140000100,0500000030f005,0f0040020400000000009000000000000000000000000000000000000000000000008200c02204,00000000000001200200328289d92aa609025df71f,0,6,51,1,0,9,56,58,-11.868,-3.964,3,2.0,0.0016363870000000002,+,1.0429,-,1.0429,https://www.genome.jp/dbget-bin/www_bget?dr:D07302
4269,D07303, Tropatepine (INN), Tertiary amines,N04AA12,NERVOUS SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C/C(=C\1/c3c(SCc4c1cccc4)cccc3)/C2)C,334.49800000000005,5.5029,107.98100000000001,29.74,25,1,1,JOQKFRLFXDPXHX-YFUWWQDYSA-O,C22H24NS+,C[NH+]1C2CCC1CC(=C1c3ccccc3SCc3c1cccc3)C2,"InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/p+1/b22-16-/t17-,18+/m0/s1",-6.0317,-4.6445,-4.586,-4.5815,-0.9865,-0.9027,1.4311,1.4341,1.5555,1.5571,1.5582,D07303_N04AA12,2026010000000634420c0f0080004002001000d000604000000000a4002000011900500020c08040100040180000108001020000002000004201000208040024004000000204000001002440021102080880017000046008c8481a0080000000000400218004088030001008000002020006110000271201008a800912020800,0100000000f101,12004802240000000000000000000000000000000000000000000000000000000000c640c00204,0000040008000324000c95969649a88301814da917,0,12,39,1,0,0,48,52,-10.886,-3.54,2,0.0,0.433472395,+,1.714,-,1.714,https://www.genome.jp/dbget-bin/www_bget?dr:D07303
4270,D08653, Tropatepine hydrochloride, Tertiary amines,N04AA12,NERVOUS SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C/C(=C\1/c3c(SCc4c1cccc4)cccc3)/C2)C,334.49800000000005,5.5029,107.98100000000001,29.74,25,1,1,JOQKFRLFXDPXHX-YFUWWQDYSA-O,C22H24NS+,C[NH+]1C2CCC1CC(=C1c3ccccc3SCc3c1cccc3)C2,"InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/p+1/b22-16-/t17-,18+/m0/s1",-6.0317,-4.6445,-4.586,-4.5815,-0.9865,-0.9027,1.4311,1.4341,1.5555,1.5571,1.5582,D08653_N04AA12,2026010000000634420c0f0080004002001000d000604000000000a4002000011900500020c08040100040180000108001020000002000004201000208040024004000000204000001002440021102080880017000046008c8481a0080000000000400218004088030001008000002020006110000271201008a800912020800,0100000000f101,12004802240000000000000000000000000000000000000000000000000000000000c640c00204,0000040008000324000c95969649a88301814da917,0,12,39,1,0,0,48,52,-10.886,-3.542,2,0.0,0.433430314,+,1.714,-,1.714,https://www.genome.jp/dbget-bin/www_bget?dr:D08653
4271,D02599, Orphenadrine hydrochloride, Ethers chemically close to antihistamines,N04AB02,NERVOUS SYSTEM,C[NH+](CCO[C@H](c1ccccc1)c1ccccc1C)C,270.389,2.2455,85.3277,13.67,25,1,1,QVYRGXJJSLMXQH-GOSISDBHSA-O,C18H24NO+,C[NH+](CCOC(c1ccccc1C)c1ccccc1)C,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3/p+1/t18-/m1/s1",-6.0095,-4.6278,-4.6198,-4.5677,-3.1356,-1.8302,1.4569999999999999,1.4715,1.5701,1.5902,1.5963,D02599_N04AB02,000600000000004002000600810200020000004000000800002000a000040000100040000040001220000008000000000000000000000000000000020000000008000802081000000000210000000000008800400010200840080800000100000000000100041000004000009000000000060180000100000000000000000000,0100000030f001,018040020400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000002325088502c220892fdb51f,0,12,33,0,0,6,44,45,-11.939,-4.212,1,0.0,0.010779131,+,0.3061,-,0.3061,https://www.genome.jp/dbget-bin/www_bget?dr:D02599
4272,D07511, Benzatropine (INN), Ethers of tropine or tropine derivatives,N04AC01,NERVOUS SYSTEM,C1C[C@@H]2[N@@H+]([C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1)C,308.437,4.5699,98.9817,13.67,27,1,1,GIJXKZJWITVLHI-ACDBMABISA-O,C21H26NO+,C[NH+]1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/p+1/t18-,19+,20-",-5.9761,-4.6562,-4.5861,-4.5787,-3.1676,-2.1454,1.4282,1.5431,1.5543,1.5704,1.6081,D07511_N04AC01,002600020000024002000600800200000010005000000800002000a00104000010005000800000013000001820000000010200000020c000000000020000a000081008020000000000008900020000000080015000002008c0080800000100000000002100000000104000001000080000070100000110000000000100000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000008600c02204,000004000000010000041496834928e30941cdb81f,0,12,40,0,0,4,49,52,-11.957,-3.76,2,1.0,0.042490386,+,1.1499,-,1.1499,https://www.genome.jp/dbget-bin/www_bget?dr:D07511
4273,D00778, Benztropine mesylate (USP), Ethers of tropine or tropine derivatives,N04AC01,NERVOUS SYSTEM,C1C[C@@H]2[N@@H+]([C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1)C,308.437,4.5699,98.9817,13.67,27,1,1,GIJXKZJWITVLHI-ACDBMABISA-O,C21H26NO+,C[NH+]1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/p+1/t18-,19+,20-",-5.9708,-4.6611,-4.5911,-4.5716,-3.1568,-2.1538,1.4257,1.547,1.5535,1.5668,1.6124,D00778_N04AC01,002600020000024002000600800200000010005000000800002000a00104000010005000800000013000001820000000010200000020c000000000020000a000081008020000000000008900020000000080015000002008c0080800000100000000002100000000104000001000080000070100000110000000000100000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000008600c02204,000004000000010000041496834928e30941cdb81f,0,12,40,0,0,4,49,52,-11.955,-3.761,2,-1.0,0.042491559000000005,+,1.1499,-,1.1499,https://www.genome.jp/dbget-bin/www_bget?dr:D00778
4274,D04087, Ethybenztropine (USAN), Ethers of tropine or tropine derivatives,N04AC30,NERVOUS SYSTEM,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1)CC,322.464,4.96,103.789,13.67,29,1,1,PHTMLLGDZBZXMW-AERCQKQUSA-O,C22H28NO+,CC[NH+]1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1,"InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/p+1/t19-,20+,21+",-6.0174,-4.5859,-4.572,-4.5421,-3.1627,-1.5795,1.4353,1.5404,1.5429,1.5530000000000002,1.584,D04087_N04AC30,002600020000024002000600800200000010005000000800002000a00104000010005000800000013000001820000000010200000020c000000000020000a000081008020000000000008900020000000080015000002008c0080800000100000000002100000000104000001000080000070100000110000000000100000000,0100000030f001,038040020400000000000000000000000000000000000000000000000000000000008600c02204,0000040000000100000416868b4922e30941cdbd1f,0,12,43,0,0,5,52,55,-11.911,-3.678,2,,0.09611797300000001,+,1.09,-,1.09,https://www.genome.jp/dbget-bin/www_bget?dr:D04087
4275,D00059, Levodopa (JP17/USP/INN), Dopa and dopa derivatives,N04BA01,NERVOUS SYSTEM,c1(c(ccc(c1)C[C@@H](C(=O)O)[NH3+])O)O,198.196,-0.6646,50.8049,105.4,15,4,4,WTDRDQBEARUVNC-LURJTMIESA-O,C9H12NO4+,OC(=O)C(Cc1ccc(c(c1)O)O)[NH3+],"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/p+1/t6-/m0/s1",-5.3747,-5.3676,-5.3579,-4.5968,-4.564,-4.4214,1.7895,2.1491,2.3386,2.3680000000000003,2.6457,D00059_N04BA01,00040000000000000200060000000004000000000000120000000080000800001000408140000003000a001800010000010202000800400000000002000000000880080000000000000000000280000400b000400000100840080800000800000000000000000002000000c00000000000060100000100200800004200000000,0500000c06f003,0200c0000400000000008800000000100000000000030000000000000000000000000200c02a04,0000000000002100800000468040014404cce27e1f,0,6,19,1,0,3,26,26,-8.915,-0.342,1,1.0,8.5532e-06,-,0.6569,+,0.6569,https://www.genome.jp/dbget-bin/www_bget?dr:D00059
4276,D00253, Carbidopa hydrate - levodopa mixt, Dopa and dopa derivatives,N04BA02,NERVOUS SYSTEM,c1(C[C@@](C(=O)O)([NH2+][NH3+])C)cc(c(cc1)O)O,228.245,-1.7961,59.7093,122.01,19,5,4,AOEDSHLHODSENC-JTQLQIEISA-N,C10H16N2O4++,[NH3+][NH2+]C(C(=O)O)(Cc1ccc(c(c1)O)O)C,"InChI=1S/C10H16N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,13-14H,5,12H2,1,11H3,(H,15,16)/q+2/t10-/m0/s1",-4.6335,-4.383,-2.5073,-2.5069999999999997,-2.1865,-2.1829,1.7366,1.7452,1.7481,2.3582,2.4546,D00253_N04BA02,000400000080000002000e0000000004000000000080120000000080000800001000408140000043000a001800010000010202000800400000000002000000000880080000000000000000000280000400b000400800100840080800000800000000000000800002000000c00001000000060100000100200800004204000000,0500000c06f003,030000000000000000008800000000000000000000030000000000000000000000000200c02a04,00000000000039009a00086681c0054c04ece2fe1f,0,6,25,1,0,4,32,32,-12.449000000000002,-7.477,1,-2.0,2.94905e-11,-,0.4122,-,0.4122,https://www.genome.jp/dbget-bin/www_bget?dr:D00253
4277,D02135, Levodopa - benserazide hydrochloride mi, Dopa and dopa derivatives,N04BA02,NERVOUS SYSTEM,c1(c(ccc(c1O)C[NH2+]NC(=O)[C@@H](CO)[NH3+])O)O,259.259,-3.1083,64.086,154.27,23,7,6,BNQDCRGUHNALGH-ZCFIWIBFSA-P,C10H17N3O5++,OCC(C(=O)N[NH2+]Cc1ccc(c(c1O)O)O)[NH3+],"InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)/p+2/t6-/m1/s1",-5.3587,-5.3583,-5.3566,-4.5763,-4.0651,-4.0382,1.9735,1.9783,2.0337,2.2375,2.5425,D02135_N04BA02,800004000000040802004e00000000010001000000002200000000800000000010004800000100430086003800000000000a02000000800400000002000000000ca0080000000020000020000288001000b0024018001000480c0040000000020014000000000002000000000000000000060100400100200800004c05000000,0500001c06f001,0018c0000400000000008000000000000000000000030000000000000000000000000200c02a04,000000000000390098c00a6f8970114804eee27f1f,0,6,28,1,0,6,35,35,-14.154000000000002,-8.842,1,,2.15386e-14,-,0.4961,-,0.4961,https://www.genome.jp/dbget-bin/www_bget?dr:D02135
4278,D07304, Melevodopa (INN), Dopa and dopa derivatives,N04BA04,NERVOUS SYSTEM,c1(c(ccc(c1)C[C@@H](C(=O)OC)[NH3+])O)O,212.222,-0.5762,55.1251,94.4,18,3,4,XBBDACCLCFWBSI-ZETCQYMHSA-O,C10H14NO4+,COC(=O)C(Cc1ccc(c(c1)O)O)[NH3+],"InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/p+1/t7-/m0/s1",-5.3753,-5.3685,-5.3677,-4.5606,-4.4041,-3.2516,1.7304,1.7388,1.7457,1.7795,2.5780000000000003,D07304_N04BA04,00040000000000000200060000020004000000000000120000000080000800001000408140000003000a001800010000010202000800400000000002000002000880080000100000000000000280000400b000400000100840080800000800000000000000000002000000c00000000000070100000100200800004200000000,0500000436f005,0200c0000400000000009000000000000000000000030000000000000000000000000200c02a04,0000000000002100800000548048016404cce2fe1f,0,6,22,1,0,4,29,29,-12.366,-4.5680000000000005,1,0.0,1.51975e-06,-,0.6657,+,0.6657,https://www.genome.jp/dbget-bin/www_bget?dr:D07304
4279,D07441, Amantadine (INN), Adamantane derivatives,N04BB01,NERVOUS SYSTEM,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)[NH3+],152.257,1.1971,47.8451,27.64,18,1,0,DKNWSYNQZKUICI-CHIWXEEVSA-O,C10H18N+,[NH3+]C12CC3CC(C2)CC(C1)C3,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/p+1/t7-,8+,9-,10-",-5.3725,-5.3708,-5.3698,-4.1613,0.0,0.0,1.5551,1.5551,1.556,1.7599,1.7603,D07441_N04BB01,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0600c0000400000000000000000000000000000000000000000000000000000000008000c00204,00000000000001000200000490c100801000412815,0,0,31,0,0,0,29,31,-14.274000000000001,-3.895,0,0.0,5.792230000000001e-06,+,1.1338,-,1.1338,https://www.genome.jp/dbget-bin/www_bget?dr:D07441
4280,D00777, Amantadine hydrochloride (JP17/USP), Adamantane derivatives,N04BB01,NERVOUS SYSTEM,[C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)[NH3+],152.257,1.1971,47.8451,27.64,18,1,0,DKNWSYNQZKUICI-CHIWXEEVSA-O,C10H18N+,[NH3+]C12CC3CC(C2)CC(C1)C3,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/p+1/t7-,8+,9-,10-",-5.3725,-5.3708,-5.3698,-4.1613,0.0,0.0,1.5551,1.5551,1.556,1.7599,1.7603,D00777_N04BB01,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0600c0000400000000000000000000000000000000000000000000000000000000008000c00204,00000000000001000200000490c100801000412815,0,0,31,0,0,0,29,31,-14.276,-3.895,0,1.0,5.78876e-06,+,1.1338,-,1.1338,https://www.genome.jp/dbget-bin/www_bget?dr:D00777
4281,D08339, Pergolide (INN), Dopamine agonists,N04BC02,NERVOUS SYSTEM,c12c3[C@@H]4[C@@H](Cc1c[nH]c2ccc3)[N@@H+](C[C@@H](C4)CSC)CCC,315.496,4.4232,102.63,45.53,28,2,1,YEHCICAEULNIGD-MZMPZRCHSA-O,C19H27N2S+,CCC[NH+]1CC(CSC)CC2C1Cc1c[nH]c3c1c2ccc3,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/p+1/t13-,16-,18-/m1/s1",-6.0324,-4.5713,-4.556,-4.4379,-1.0183,-0.9587,1.4057,1.4109,1.5115,1.5867,1.621,D08339_N04BC02,202601010002060022000600020040040000801040010008000000800020040010007091000380211880201800010040010200000024200004000002000000040c000e004000000000086400020801980080035004003008c0480900800870040000002000200000000000000011040050069141020110000048002102000000,0100000000f101,070041021400000000000000000000000000000000008400000000000000000000004600c02204,00000000000001000104b6969a49a68305235dad17,0,10,42,0,0,4,49,52,-11.347999999999999,-3.529,4,0.0,0.106877543,+,1.3303,-,1.3303,https://www.genome.jp/dbget-bin/www_bget?dr:D08339
4282,D00502, Pergolide mesylate (USP), Dopamine agonists,N04BC02,NERVOUS SYSTEM,c12c3[C@@H]4[C@@H](Cc1c[nH]c2ccc3)[N@@H+](C[C@@H](C4)CSC)CCC,315.496,4.4232,102.63,45.53,28,2,1,YEHCICAEULNIGD-MZMPZRCHSA-O,C19H27N2S+,CCC[NH+]1CC(CSC)CC2C1Cc1c[nH]c3c1c2ccc3,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/p+1/t13-,16-,18-/m1/s1",-6.0343,-4.5626,-4.5576,-4.4732,-1.0284,-0.9563,1.4021,1.4269999999999998,1.4719,1.5902,1.6194,D00502_N04BC02,202601010002060022000600020040040000801040010008000000800020040010007091000380211880201800010040010200000024200004000002000000040c000e004000000000086400020801980080035004003008c0480900800870040000002000200000000000000011040050069141020110000048002102000000,0100000000f101,070041021400000000000000000000000000000000008400000000000000000000004600c02204,00000000000001000104b6969a49a68305235dad17,0,10,42,0,0,4,49,52,-11.357000000000001,-3.56,4,,0.10329698,+,1.3303,-,1.3303,https://www.genome.jp/dbget-bin/www_bget?dr:D00502
4283,D07836, Dihydroergocryptine mesilate, Dopamine agonists,N04BC03,NERVOUS SYSTEM,[C@]12(N([C@H](C(=O)N3[C@H]1CCC3)CC(C)C)C(=O)[C@@](O2)(NC(=O)[C@@H]1C[C@@H]2c3c4c(C[C@H]2[N@@H+](C1)C)c[nH]c4ccc3)C(C)C)O,578.722,2.9394,170.535,119.41,52,4,8,PBUNVLRHZGSROC-VTIMJTGVSA-O,C32H44N5O5+,CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1C[NH+](C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C,"InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/p+1/t20-,22-,24-,25+,26+,31-,32+/m1/s1",-6.0216,-5.9873,-5.7281,-4.8398,-4.6321,-4.604,2.6219,2.6326,2.8443,3.052,3.3982,D07836_N04BC03,20264000004206a0130006000202400c2100a0304000801802100880003404303c00509323008033f88624382001004001020000102d600004000882400080100c103e1848101880032b60011e8800be00f0015004203008e0090900800ad000080000a0003802001080030080110c00100781c502011000007cc02142000102,0500000c30f001,0700400204000000030080002a0000000000000000008400000000000000000000004600c02a04,000040000000110181c636df9bebbcc7957fffff1f,0,10,79,3,0,6,86,92,-11.238,-3.3960000000000004,8,2.0,0.292290032,+,5.0203,-,5.0203,https://www.genome.jp/dbget-bin/www_bget?dr:D07836
4284,D08489, Ropinirole (USAN/INN), Dopamine agonists,N04BC04,NERVOUS SYSTEM,c12c(CC[NH+](CCC)CCC)cccc1NC(=O)C2,261.382,1.5666,84.5034,33.54,27,2,2,UHSKFQJFRQCDBE-UHFFFAOYSA-O,C16H25N2O+,CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)/p+1",-6.0348,-4.5729,-4.5374,-4.5301,-3.8782,-3.2269,1.4362,1.4401,1.5809,1.5812,1.5830000000000002,D08489_N04BC04,0026002000200000030006000080400480100000100000000003008000000400110040810060002000062018000010440002000000000008000000020002040000000000400102400010300002800001009080400400280850080800800040000100000000000000000000002000002400060100000150400000000002400000,0500000000f001,030040020400000000008000200000000000000000000000000000000000000000004600c02a00,00000000000001000000368e986936c34de35caf1f,0,6,38,1,0,7,44,45,-12.112,-3.8310000000000004,0,0.0,0.015497782,+,0.3611,-,0.3611,https://www.genome.jp/dbget-bin/www_bget?dr:D08489
4285,D00784, Ropinirole hydrochloride (JAN/USAN), Dopamine agonists,N04BC04,NERVOUS SYSTEM,c12c(CC[NH+](CCC)CCC)cccc1NC(=O)C2,261.382,1.5666,84.5034,33.54,27,2,2,UHSKFQJFRQCDBE-UHFFFAOYSA-O,C16H25N2O+,CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)/p+1",-6.0479,-4.5357,-4.4191,-4.3693,-3.7622,-3.2262,1.4282,1.4287,1.5332,1.5506,1.5638,D00784_N04BC04,0026002000200000030006000080400480100000100000000003008000000400110040810060002000062018000010440002000000000008000000020002040000000000400102400010300002800001009080400400280850080800800040000100000000000000000000002000002400060100000150400000000002400000,0500000000f001,030040020400000000008000200000000000000000000000000000000000000000004600c02a00,00000000000001000000368e986936c34de35caf1f,0,6,38,1,0,7,44,45,-12.117,-3.83,0,,0.015495818,+,0.3611,-,0.3611,https://www.genome.jp/dbget-bin/www_bget?dr:D00784
4286,D05575, Pramipexole (USAN/INN), Dopamine agonists,N04BC05,NERVOUS SYSTEM,c12c(C[C@H](CC2)[NH2+]CCC)sc(n1)N,212.335,1.1372,62.4308,83.76,20,2,3,FASDKYOPVNHBLU-ZETCQYMHSA-O,C10H18N3S+,CCC[NH2+]C1CCc2c(C1)sc(n2)N,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/p+1/t7-/m0/s1",-5.697,-5.6956,-5.0255,-5.0211,-4.3967,-4.3704,1.5528,1.5613,1.5642,1.5778,1.7790000000000001,D05575_N04BC05,1022012000000018082006040c00020484010010000020000104000c0070040210000170004800248000a81000081020014220801860000080000006000200000440040200204202011820000a00000000208050008a200080004d008008400009800228a0214003000000002001000914048003820810000003000102000300,0100000000f021,03004009040000000000000000000000000020000000d000000000000000000000004600c03a04,000000000840010001108f869843a68155a144ad17,0,5,28,0,0,3,32,33,-11.306,-3.89,1,-2.0,0.000229793,+,0.9543,-,0.9543,https://www.genome.jp/dbget-bin/www_bget?dr:D05575
4287,D00559, Pramipexole hydrochloride (USAN), Dopamine agonists,N04BC05,NERVOUS SYSTEM,c12c(C[C@H](CC2)[NH2+]CCC)sc(n1)N,212.335,1.1372,62.4308,83.76,20,2,3,FASDKYOPVNHBLU-ZETCQYMHSA-O,C10H18N3S+,CCC[NH2+]C1CCc2c(C1)sc(n2)N,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/p+1/t7-/m0/s1",-5.6971,-5.6959,-5.0266,-5.0206,-4.3965,-4.3713,1.5551,1.5629,1.5654,1.5782,1.7792,D00559_N04BC05,1022012000000018082006040c00020484010010000020000104000c0070040210000170004800248000a81000081020014220801860000080000006000200000440040200204202011820000a00000000208050008a200080004d008008400009800228a0214003000000002001000914048003820810000003000102000300,0100000000f021,03004009040000000000000000000000000020000000d000000000000000000000004600c03a04,000000000840010001108f869843a68155a144ad17,0,5,28,0,0,3,32,33,-11.306,-3.89,1,,0.000229793,+,0.9543,-,0.9543,https://www.genome.jp/dbget-bin/www_bget?dr:D00559
4288,D07305, Piribedil (INN), Dopamine agonists,N04BC08,NERVOUS SYSTEM,C1N(CC[NH+](C1)Cc1ccc2c(c1)OCO2)c1ncccn1,299.348,1.7446,89.8047,51.92,24,1,5,OQDPVLVUJFGPGQ-UHFFFAOYSA-O,C16H19N4O2+,c1cnc(nc1)N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2,"InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2/p+1",-6.2246,-6.0583,-5.9064,-4.7901,-4.7889,-4.5105,2.0109,2.0287,2.3528,3.1723,3.179,D07305_N04BC08,80020100001004400008460018030009000000a000002200000000c00000004000804402600880200080002e000204000002a2000000480000400002000000000c803c00010400010020002002480000008000400400204040080120000120000010000200200402004000000010000000060104080100200800004402000000,0100000050f021,000040020400804000000000000000000000000000009000000000000000000000004600c02200,000000090000012181d436849a53a18751a3cd7d1f,0,12,32,0,0,3,41,44,-12.187000000000001,-3.8789999999999996,0,-1.0,0.00012552,+,1.4692,-,1.4692,https://www.genome.jp/dbget-bin/www_bget?dr:D07305
4289,D05768, Rotigotine (JAN/USAN/INN), Dopamine agonists,N04BC09,NERVOUS SYSTEM,c1cc(c2c(c1)C[C@H](CC2)[N@H+](CCc1cccs1)CCC)O,316.481,2.8486,96.4497,52.91,27,2,2,KFQYTPMOWPVWEJ-INIZCTEOSA-O,C19H26NOS+,CCC[NH+](C1CCc2c(C1)cccc2O)CCc1cccs1,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/p+1/t16-/m0/s1",-6.0052,-4.5168,-4.5046,-4.4435,-1.0527,-0.9569,1.4165,1.421,1.4425,1.5576,1.5691,D05768_N04BC09,0026c100000000100ac006000200000404000010000000000100008400200002100040810040000080002858000900000502020000600000080000020002000008600402002000020000200012200000c08080c000023008c0084800800800000102002080000002000000c02000000000060100020110200802004300000100,0100000402f001,03004002040000000000000000000000000000000001c000000000000000000000004600c02204,00000000080001000000b786984927c215c7cdbd1f,0,11,39,0,0,6,48,50,-11.950999999999999,-3.747,2,1.0,0.145327657,-,0.9558,-,0.9558,https://www.genome.jp/dbget-bin/www_bget?dr:D05768
4290,D03731, Selegiline (USAN/INN), Monoamine oxidase B inhibitors,N04BD01,NERVOUS SYSTEM,c1(C[C@H]([N@H+](CC#C)C)C)ccccc1,188.28900000000002,0.7655,62.5657,4.44,18,1,0,MEZLKOACVSPNER-GFCCVEGCSA-O,C13H18N+,CC([NH+](CC#C)C)Cc1ccccc1,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1",-6.3892,-6.0425,-4.6052,-4.4987,-1.379,-0.763,1.422,1.5731,1.5915,1.979,2.0258,D03731_N04BD01,0006000020000000020006000000000400000000000000000000008000000000100040810000010000002018000100000102000000000000000000020000000000000000000010000000000002000000008000400000300840080800800800000000100000000000000000000020400000060100000110000000000000000000,0100000000f001,230040020400000000000000000000000000000000000000000000000000000000000200c02204,00000100000001000000321088400c02010058ad17,0,6,25,0,1,4,32,32,-12.888,-4.454,2,,0.0022618829999999997,+,0.5643,-,0.5643,https://www.genome.jp/dbget-bin/www_bget?dr:D03731
4291,D00785, Selegiline hydrochloride (JAN/USP), Monoamine oxidase B inhibitors,N04BD01,NERVOUS SYSTEM,c1(C[C@H]([N@H+](CC#C)C)C)ccccc1,188.28900000000002,0.7655,62.5657,4.44,18,1,0,MEZLKOACVSPNER-GFCCVEGCSA-O,C13H18N+,CC([NH+](CC#C)C)Cc1ccccc1,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1",-6.4086,-6.0232,-4.5813,-4.5091,-1.3811,-0.7705,1.4391,1.5725,1.5927,1.963,2.0231,D00785_N04BD01,0006000020000000020006000000000400000000000000000000008000000000100040810000010000002018000100000102000000000000000000020000000000000000000010000000000002000000008000400000300840080800800800000000100000000000000000000020400000060100000110000000000000000000,0100000000f001,230040020400000000000000000000000000000000000000000000000000000000000200c02204,00000100000001000000321088400c02010058ad17,0,6,25,0,1,4,32,32,-12.904000000000002,-4.454,2,,0.0023856529999999997,+,0.5643,-,0.5643,https://www.genome.jp/dbget-bin/www_bget?dr:D00785
4292,D08469, Rasagiline (USAN/INN), Monoamine oxidase B inhibitors,N04BD02,NERVOUS SYSTEM,c12c(cccc1)CC[C@H]2[NH2+]CC#C,172.24599999999998,0.8705,55.7094,16.61,14,1,0,RUOKEQAAGRXIBM-GFCCVEGCSA-O,C12H14N+,C#CC[NH2+]C1CCc2c1cccc2,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/p+1/t12-/m1/s1",-6.1883,-5.7126,-5.712000000000001,-5.6694,-1.3856,-0.8912,1.794,2.0213,2.0439,2.2005,2.2277,D08469_N04BD02,00060000200004000a000600000100000000009000400000000000c0000000001000600000400100008000180001020001020000000000000000000200000000000006000004100000102000820800000080004000003008c0080800000800000010102200000000000000000020400000060110020110000002000108000000,0100000000f001,220040010400000000000000000000000000000000000000000000000000000000004200c02204,000001000000010000000a86984120801180442d17,0,6,21,0,1,2,27,28,-13.324000000000002,-4.145,1,1.0,0.000358285,+,0.6116,-,0.6116,https://www.genome.jp/dbget-bin/www_bget?dr:D08469
4293,D02562, Rasagiline mesylate (USAN), Monoamine oxidase B inhibitors,N04BD02,NERVOUS SYSTEM,c12c(cccc1)CC[C@H]2[NH2+]CC#C,172.24599999999998,0.8705,55.7094,16.61,14,1,0,RUOKEQAAGRXIBM-GFCCVEGCSA-O,C12H14N+,C#CC[NH2+]C1CCc2c1cccc2,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/p+1/t12-/m1/s1",-6.1757,-5.7205,-5.7144,-5.6463,-1.385,-0.892,1.7730000000000001,2.0181,2.0213,2.2234,2.2275,D02562_N04BD02,00060000200004000a000600000100000000009000400000000000c0000000001000600000400100008000180001020001020000000000000000000200000000000006000004100000102000820800000080004000003008c0080800000800000010102200000000000000000020400000060110020110000002000108000000,0100000000f001,220040010400000000000000000000000000000000000000000000000000000000004200c02204,000001000000010000000a86984120801180442d17,0,6,21,0,1,2,27,28,-13.311,-4.149,1,,0.000357634,+,0.6116,-,0.6116,https://www.genome.jp/dbget-bin/www_bget?dr:D02562
4294,D00786, Tolcapone (JAN/USAN/INN), Other dopaminergic agents,N04BX01,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)c1cc(c(c(c1)[N](=O)O)O)O)C,274.249,2.96,72.57,107.19,17,3,3,OXISMGQJISYHGU-UHFFFAOYSA-N,C14H12NO5,Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N](=O)O)O,"InChI=1S/C14H12NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3,(H,19,20)",-5.2903,-4.2979,-2.6487,-2.0363,-1.7894,-1.6709,1.1063,1.2892,1.5278,1.5908,2.0572,D00786_N04BX01,0004002400000080020006008000408000a0004000001200000000e000000400141442000000002000020208000002400006020000000000000000020000000018c00030400110200000000002820100008800400400000c6008080000014014000000010020000200000000000000000002014001110020180800c202000008,1500000406f001,010000000000010000000000000000000001000000030000000000000000000000000240c03a00,000080000000b140f00000612100414ad6ccabfa1f,0,12,19,2,0,3,32,33,-10.185,-1.556,0,1.0,0.187249005,+,0.3834,-,0.3834,https://www.genome.jp/dbget-bin/www_bget?dr:D00786
4295,D00781, Entacapone (JAN/USAN/INN), Other dopaminergic agents,N04BX02,NERVOUS SYSTEM,c1(cc(c(c(c1)O)O)[N](=O)O)/C=C(/C(=O)N(CC)CC)\C#N,306.29400000000004,2.19598,79.5075,134.22,23,3,5,QQIHVCXJRCIKKI-BJMVGYQFSA-N,C14H16N3O5,CCN(C(=O)C(=Cc1cc(O)c(c(c1)[N](=O)O)O)C#N)CC,"InChI=1S/C14H16N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3,(H,21,22)/b10-5+",-5.2937,-4.2863,-4.1795,-4.0678,-3.4299,-2.0391,1.4873,1.5922,1.7104,2.0573,2.3583,D00781_N04BX02,8082000c0000000401010e000000480000a0014000214a00000000c000000400181440000104006000060018000002400206820000800100000100020004402018c0000042011020000001000282010000901240040020046008400000008015000400008020108200000800040000002006010000011020188000c006000000,0500000406f011,1100000000000000000080001200000010010000000300000000000000000000000002c0c07a00,000080000001b340f08830692d205b4ad6eebaff1f,0,6,28,3,1,6,38,38,-9.929,-1.99,0,0.0,0.098416373,+,0.4213,-,0.4213,https://www.genome.jp/dbget-bin/www_bget?dr:D00781
4296,D07306, Budipine (INN), Other dopaminergic agents,N04BX03,NERVOUS SYSTEM,c1cccc(c1)C1(c2ccccc2)CC[NH+](CC1)C(C)(C)C,294.454,5.0191,99.9317,4.44,28,1,0,QIHLUZAFSSMXHQ-UHFFFAOYSA-O,C21H28N+,CC([NH+]1CCC(CC1)(c1ccccc1)c1ccccc1)(C)C,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/p+1",-6.0361,-4.588,-4.5843,-4.4364,-1.3011,-0.4652,1.4113,1.4132,1.4569999999999999,1.5603,1.5858,D07306_N04BX03,00060000000000000a000600800000000000005000000000000000a0000000001000500000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080015000003008c0080800000800000000002100000000000000000000000000060100000110000002000100000000,0100000000f001,0b0040020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000120020632048ac8288301135da917,0,12,40,0,0,3,50,52,-12.314,-3.6910000000000003,0,0.0,0.113325834,+,0.9113,-,0.9113,https://www.genome.jp/dbget-bin/www_bget?dr:D07306
4297,D07589, Budipine hydrochloride, Other dopaminergic agents,N04BX03,NERVOUS SYSTEM,c1cccc(c1)C1(c2ccccc2)CC[NH+](CC1)C(C)(C)C,294.454,5.0191,99.9317,4.44,28,1,0,QIHLUZAFSSMXHQ-UHFFFAOYSA-O,C21H28N+,CC([NH+]1CCC(CC1)(c1ccccc1)c1ccccc1)(C)C,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/p+1",-6.03,-4.5814,-4.5645,-4.4279,-1.3005,-0.4655,1.4049,1.4123,1.4556,1.5588,1.5804,D07589_N04BX03,00060000000000000a000600800000000000005000000000000000a0000000001000500000000000000000180001000001020000000000000000000200000000000004000000000000000000020000000080015000003008c0080800000800000000002100000000000000000000000000060100000110000002000100000000,0100000000f001,0b0040020400000000000000000000000000000000000000000000000000000000000600c02200,0000000000000120020632048ac8288301135da917,0,12,40,0,0,3,50,52,-12.398,-3.616,0,-2.0,0.14862562699999998,+,0.9113,-,0.9113,https://www.genome.jp/dbget-bin/www_bget?dr:D07589
4298,D00270, Chlorpromazine (USP/INN), Phenothiazines with aliphatic side-chain,N05AA01,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[NH+](C)C,319.872,3.5423,96.3367,32.98,22,1,1,ZPEIMTDSQAKGNT-UHFFFAOYSA-O,C17H20ClN2S+,C[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1",-6.0463,-4.6051,-4.5933,-4.5287,-2.0413,-1.306,1.4414,1.4738,1.5648,1.5865,1.5924,D00270_N05AA01,2002030000a00000100006010082000080000000100020120001000000600000190008000000802000090018000010e00040000202002008000000200010040402000000400002200100000004000002008800600440200060090000002000000000000010000008002000080000042000061001000012000002800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02200,00000000080001040086f312da4dac0360a35dad17,0,12,31,0,0,4,41,43,-10.665999999999999,-4.041,0,-2.0,0.043616012,-,0.5586,-,0.5586,https://www.genome.jp/dbget-bin/www_bget?dr:D00270
4299,D00789, Chlorpromazine hydrochloride (JP17/USP), Phenothiazines with aliphatic side-chain,N05AA01,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[NH+](C)C,319.872,3.5423,96.3367,32.98,22,1,1,ZPEIMTDSQAKGNT-UHFFFAOYSA-O,C17H20ClN2S+,C[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1",-6.0402,-4.6127,-4.5953,-4.5583,-2.0391,-1.3548,1.4637,1.47,1.5606,1.5828,1.5857,D00789_N05AA01,2002030000a00000100006010082000080000000100020120001000000600000190008000000802000090018000010e00040000202002008000000200010040402000000400002200100000004000002008800600440200060090000002000000000000010000008002000080000042000061001000012000002800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02200,00000000080001040086f312da4dac0360a35dad17,0,12,31,0,0,4,41,43,-10.665,-4.04,0,0.0,0.043669797999999996,-,0.5586,-,0.5586,https://www.genome.jp/dbget-bin/www_bget?dr:D00789
4300,D03274, Chlorpromazine hibenzate (JAN), Phenothiazines with aliphatic side-chain,N05AA01,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[NH+](C)C,319.872,3.5423,96.3367,32.98,22,1,1,ZPEIMTDSQAKGNT-UHFFFAOYSA-O,C17H20ClN2S+,C[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1",-6.0658,-4.637,-4.6108,-4.6103,-2.0478,-1.5421,1.4443,1.479,1.5938,1.5971,1.6129,D03274_N05AA01,2002030000a00000100006010082000080000000100020120001000000600000190008000000802000090018000010e00040000202002008000000200010040402000000400002200100000004000002008800600440200060090000002000000000000010000008002000080000042000061001000012000002800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02200,00000000080001040086f312da4dac0360a35dad17,0,12,31,0,0,4,41,43,-10.665999999999999,-4.041,0,,0.04365126,-,0.5586,-,0.5586,https://www.genome.jp/dbget-bin/www_bget?dr:D03274
4301,D04034, Chlorpromazine phenolphthalinate (JAN), Phenothiazines with aliphatic side-chain,N05AA01,NERVOUS SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)O)c1c(cccc1)C(=O)O)O,320.339,3.9762,91.3873,77.76,19,3,4,FFFPYJTVNSSLBQ-UHFFFAOYSA-N,C20H16O4,Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O,"InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)",-4.3429,-4.3229,-1.3369,-1.1546,-0.9103,-0.725,0.6323,0.6524,0.7583,1.2391,2.287,D04034_N05AA01,00040000000000c002000200800000020000004000001200000200a0000000001400400000400000600a020800000000000002000000000000000002000000000800080000000000000020000280000000880040000000084008080000010000000000054004000200c000000000000000020100000100200808000000000000,0400000c02b003,040000000000000000008800000000000001000000010000000000000000000000000240403800,0000000000000000000000000000014404cca3521e,0,18,23,1,0,4,40,42,-4.771,2.8,0,0.0,0.00052684,+,0.5727,-,0.5727,https://www.genome.jp/dbget-bin/www_bget?dr:D04034
4302,D00403, Levomepromazine (USAN/INN), Phenothiazines with aliphatic side-chain,N05AA02,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)OC)C[C@@H](C[NH+](C)C)C,329.48,3.1435,102.626,42.21,28,1,2,VRQVVMDWGGWHTJ-CQSZACIVSA-O,C19H25N2OS+,COc1ccc2c(c1)N(CC(C[NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1",-6.0511,-4.6056,-4.5967,-4.5347,-2.0374,-1.3128,1.4514,1.4734,1.5586,1.5802,1.5954,D00403_N05AA02,2002030000a000001000060100820000800000001000a0020001000000400000190008000000802000000018000010e0002402020204200800000020801004040a000000410002210000000802000000008000600440200060090000002000000000000010000002002000000010042000069000080012200842808002400000,0100000050f121,050052020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040086b3121b09856340f3d9bd1f,0,12,38,0,0,5,48,50,-10.052,-4.11,1,,0.001697943,-,0.6585,-,0.6585,https://www.genome.jp/dbget-bin/www_bget?dr:D00403
4303,D01520, Levomepromazine hydrochloride (JAN/USAN, Phenothiazines with aliphatic side-chain,N05AA02,NERVOUS SYSTEM,S1c2c(N(c3c1cccc3)C[C@@H](C[NH+](C)C)C)cc(cc2)OC,329.48,3.1435,102.626,42.21,28,1,2,VRQVVMDWGGWHTJ-CQSZACIVSA-O,C19H25N2OS+,COc1ccc2c(c1)N(CC(C[NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1",-6.0499,-4.6116,-4.6107,-4.5509,-2.0222,-1.3581,1.4621,1.4654,1.5579,1.5836,1.6065,D01520_N05AA02,2002030000a000001000060100820000800000001000a0020001000000400000190008000000802000000018000010e0002402020204200800000020801004040a000000410002210000000802000000008000600440200060090000002000000000000010000002002000000010042000069000080012200842808002400000,0100000050f121,050052020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040086b3121b09856340f3d9bd1f,0,12,38,0,0,5,48,50,-10.056000000000001,-4.11,1,0.0,0.001730609,-,0.6367,-,0.6367,https://www.genome.jp/dbget-bin/www_bget?dr:D01520
4304,D02248, Levomepromazine maleate (JP17/USAN), Phenothiazines with aliphatic side-chain,N05AA02,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)OC)C[C@@H](C[NH+](C)C)C,329.48,3.1435,102.626,42.21,28,1,2,VRQVVMDWGGWHTJ-CQSZACIVSA-O,C19H25N2OS+,COc1ccc2c(c1)N(CC(C[NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1",-6.0544,-4.6127,-4.6117,-4.5375,-2.0164,-1.3416,1.4471,1.4692,1.5595,1.5839,1.6130000000000002,D02248_N05AA02,2002030000a000001000060100820000800000001000a0020001000000400000190008000000802000000018000010e0002402020204200800000020801004040a000000410002210000000802000000008000600440200060090000002000000000000010000002002000000010042000069000080012200842808002400000,0100000050f121,050052020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040086b3121b09856340f3d9bd1f,0,12,38,0,0,5,48,50,-10.187000000000001,-4.053999999999999,1,1.0,0.0019325689999999999,-,0.6585,-,0.6585,https://www.genome.jp/dbget-bin/www_bget?dr:D02248
4305,D08430, Promazine (INN), Phenothiazines with aliphatic side-chain,N05AA03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)CCC[NH+](C)C,285.427,2.8889,91.3267,32.98,23,1,1,ZGUGWUXLJSTTMA-UHFFFAOYSA-O,C17H21N2S+,C[NH+](CCCN1c2ccccc2Sc2c1cccc2)C,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3/p+1",-6.0338,-4.618,-4.6059,-4.5446,-2.0519,-1.3106,1.4496,1.4746,1.5763,1.5798,1.5913,D08430_N05AA03,2002010000a00000100006010082000080000000100020020001000000400000190008000000802000000018000010e00000000202002008000000200010040402000000400002200000000000000000008000600440200060090000002000000000000010000000002000000000042000061000000012000002800002400000,0100000000f121,020050020500000000000000000000000000000000000000000000000000000000004600c02200,00000000080001040086b3129a49ac0340a35dad17,0,12,31,0,0,4,41,43,-10.559000000000001,-4.042,0,1.0,0.01294423,+,0.6098,-,0.6098,https://www.genome.jp/dbget-bin/www_bget?dr:D08430
4306,D00797, Promazine hydrochloride (USP), Phenothiazines with aliphatic side-chain,N05AA03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)CCC[NH+](C)C,285.427,2.8889,91.3267,32.98,23,1,1,ZGUGWUXLJSTTMA-UHFFFAOYSA-O,C17H21N2S+,C[NH+](CCCN1c2ccccc2Sc2c1cccc2)C,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3/p+1",-6.0425,-4.6085,-4.5993,-4.5496,-2.0318,-1.3424,1.4599,1.4722,1.5633,1.5819,1.5862,D00797_N05AA03,2002010000a00000100006010082000080000000100020020001000000400000190008000000802000000018000010e00000000202002008000000200010040402000000400002200000000000000000008000600440200060090000002000000000000010000000002000000000042000061000000012000002800002400000,0100000000f121,020050020500000000000000000000000000000000000000000000000000000000004600c02200,00000000080001040086b3129a49ac0340a35dad17,0,12,31,0,0,4,41,43,-10.543,-4.0489999999999995,0,0.0,0.01295814,+,0.6098,-,0.6098,https://www.genome.jp/dbget-bin/www_bget?dr:D00797
4307,D07065, Acepromazine (INN), Phenothiazines with aliphatic side-chain,N05AA04,NERVOUS SYSTEM,c12c(ccc(c1)C(=O)C)Sc1c(N2CCC[NH+](C)C)cccc1,327.464,3.0915,101.521,50.05,26,1,2,NOSIYYJFMPDDSA-UHFFFAOYSA-O,C19H23N2OS+,C[NH+](CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C)C,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1",-6.0454,-4.6302,-4.6044,-4.5819,-2.8004,-2.0319,1.4797,1.5713,1.5773,1.5832,1.7687,D07065_N05AA04,2006010000a000801200060100824020800000001000200200010080004004001d0048000000802000020618000010e5000000020200200801000022001004040200001040000220000001000080000000800060044020087009080000204000000000001000000000200000000004200006110000011240001a800002400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a01,00000000080001040086b3129a49ac0340b3ddaf1f,0,12,35,1,0,5,46,48,-10.41,-4.122,0,1.0,0.000800148,-,0.6112,-,0.6112,https://www.genome.jp/dbget-bin/www_bget?dr:D07065
4308,D02604, Acepromazine maleate (USP), Phenothiazines with aliphatic side-chain,N05AA04,NERVOUS SYSTEM,c12c(ccc(c1)C(=O)C)Sc1c(N2CCC[NH+](C)C)cccc1,327.464,3.0915,101.521,50.05,26,1,2,NOSIYYJFMPDDSA-UHFFFAOYSA-O,C19H23N2OS+,C[NH+](CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C)C,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1",-6.0434,-4.6216,-4.5867,-4.5856,-2.8328,-2.0347,1.4729,1.546,1.5688,1.5769,1.5809,D02604_N05AA04,2006010000a000801200060100824020800000001000200200010080004004001d0048000000802000020618000010e5000000020200200801000022001004040200001040000220000001000080000000800060044020087009080000204000000000001000000000200000000004200006110000011240001a800002400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a01,00000000080001040086b3129a49ac0340b3ddaf1f,0,12,35,1,0,5,46,48,-10.411,-4.122,0,-1.0,0.00079905,-,0.6112,-,0.6112,https://www.genome.jp/dbget-bin/www_bget?dr:D02604
4309,D00390, Triflupromazine (USP/INN), Phenothiazines with aliphatic side-chain,N05AA05,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[NH+](C)C,353.425,3.9077,96.3287,32.98,22,1,1,XSCGXQMFQXDFCW-UHFFFAOYSA-O,C18H20F3N2S+,C[NH+](CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1",-6.0464,-4.6058,-4.5985,-4.5436,-4.1949,-4.1853,1.4534,1.4693,1.5643,1.5863,1.591,D00390_N05AA05,2002010000a01000100006010082400080000090100020020001008000400400190048000000802000002018000010e11000000202002008000000220010040402000000400002200000010100000000048000600440200070090000002000000000000010040000002000000000042000061100000112400012800002400000,0100000000f121,020150020500000000000000000000000000000000000000000000000000000000004600e02200,00000000080201040086b3129acfac0360a35dad17,3,12,34,0,0,5,44,46,-10.532,-4.213,0,-1.0,0.046357910999999995,-,0.9529,-,0.9529,https://www.genome.jp/dbget-bin/www_bget?dr:D00390
4310,D00800, Triflupromazine hydrochloride (JAN/USP), Phenothiazines with aliphatic side-chain,N05AA05,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[NH+](C)C,353.425,3.9077,96.3287,32.98,22,1,1,XSCGXQMFQXDFCW-UHFFFAOYSA-O,C18H20F3N2S+,C[NH+](CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1",-6.0088,-4.6219,-4.6198,-4.6126,-4.1902,-4.186,1.4689,1.4793,1.5746,1.5839,1.599,D00800_N05AA05,2002010000a01000100006010082400080000090100020020001008000400400190048000000802000002018000010e11000000202002008000000220010040402000000400002200000010100000000048000600440200070090000002000000000000010040000002000000000042000061100000112400012800002400000,0100000000f121,020150020500000000000000000000000000000000000000000000000000000000004600e02200,00000000080201040086b3129acfac0360a35dad17,3,12,34,0,0,5,44,46,-10.530999999999999,-4.213,0,,0.046325639,-,0.9529,-,0.9529,https://www.genome.jp/dbget-bin/www_bget?dr:D00800
4311,D07307, Cyamemazine (INN), Phenothiazines with aliphatic side-chain,N05AA06,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)C#N)C[C@@H](C)C[NH+](C)C,324.46299999999997,3.00658,100.84899999999999,56.77,25,1,2,SLFGIOIONGJGRT-AWEZNQCLSA-O,C19H22N3S+,N#Cc1ccc2c(c1)N(CC(C[NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/p+1/t14-/m0/s1",-6.0464,-4.6147,-4.5797,-4.5058,-3.3028,-2.0439,1.4381,1.4791,1.5532,1.5869,1.5924,D07307_N05AA06,2002010000a00000100406010082400080000000100020020001008000400400190048000004802000000018000010e1000000020200e0080000002200104404020000004008022000000100000000000080006004402000700980000020000000000000100000000020000020000c2000061100000112400012800002400000,0100000000f131,050050020500000000000000000000001000000000000000000000000000000000004680c02204,00000000080101040086b3121a09840340b359ad17,0,12,34,0,1,4,45,47,-10.57,-4.154,1,0.0,0.016533479,-,0.6809,-,0.6809,https://www.genome.jp/dbget-bin/www_bget?dr:D07307
4312,D07756, Cyamemazine tartrate, Phenothiazines with aliphatic side-chain,N05AA06,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)C#N)C[C@@H](C)C[NH+](C)C,324.46299999999997,3.00658,100.84899999999999,56.77,25,1,2,SLFGIOIONGJGRT-AWEZNQCLSA-O,C19H22N3S+,N#Cc1ccc2c(c1)N(CC(C[NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/p+1/t14-/m0/s1",-6.0405,-4.6154,-4.5798,-4.538,-3.3345,-2.0346,1.4615,1.4839,1.5583,1.5839,1.5849,D07756_N05AA06,2002010000a00000100406010082400080000000100020020001008000400400190048000004802000000018000010e1000000020200e0080000002200104404020000004008022000000100000000000080006004402000700980000020000000000000100000000020000020000c2000061100000112400012800002400000,0100000000f131,050050020500000000000000000000001000000000000000000000000000000000004680c02204,00000000080101040086b3121a09840340b359ad17,0,12,34,0,1,4,45,47,-10.587,-4.15,1,0.0,,-,0.6809,-,0.6809,https://www.genome.jp/dbget-bin/www_bget?dr:D07756
4313,D07308, Chlorproethazine (INN), Phenothiazines with aliphatic side-chain,N05AA07,NERVOUS SYSTEM,c1(ccc2c(c1)N(c1c(S2)cccc1)CCC[NH+](CC)CC)Cl,347.925,4.3225,105.95100000000001,32.98,26,1,1,DBOUGBAQLIXZLV-UHFFFAOYSA-O,C19H24ClN2S+,CC[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)CC,"InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/p+1",-6.0395,-4.5533,-4.5472,-4.5191,-2.0453,-1.3035,1.4223,1.452,1.5693,1.5859,1.5919,D07308_N05AA07,2002030000a00000100006010082000080000000100020120001000000600000190008000000802000090018000010e00042000202002008000000200010040402000000400002200100000006000002008800600440200060090000002000000000000010000008002000080000042000061001000012000006800002c00000,0100000000f121,030050020500000000000000000000000000000000040000000000000000000000004600c02200,00000000080001040084f302da4daa8361a35dad17,0,12,37,0,0,6,47,49,-10.59,-3.91,0,-2.0,0.119799338,-,0.5812,-,0.5812,https://www.genome.jp/dbget-bin/www_bget?dr:D07308
4314,D07685, Chlorproethazine hydrochloride, Phenothiazines with aliphatic side-chain,N05AA07,NERVOUS SYSTEM,c1(ccc2c(c1)N(c1c(S2)cccc1)CCC[NH+](CC)CC)Cl,347.925,4.3225,105.95100000000001,32.98,26,1,1,DBOUGBAQLIXZLV-UHFFFAOYSA-O,C19H24ClN2S+,CC[NH+](CCCN1c2ccccc2Sc2c1cc(Cl)cc2)CC,"InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/p+1",-6.0347,-4.5583,-4.5547,-4.5227,-2.0437,-1.335,1.4227,1.4397,1.5827,1.5935,1.598,D07685_N05AA07,2002030000a00000100006010082000080000000100020120001000000600000190008000000802000090018000010e00042000202002008000000200010040402000000400002200100000006000002008800600440200060090000002000000000000010000008002000080000042000061001000012000006800002c00000,0100000000f121,030050020500000000000000000000000000000000040000000000000000000000004600c02200,00000000080001040084f302da4daa8361a35dad17,0,12,37,0,0,6,47,49,-10.595,-3.909,0,1.0,0.128643274,-,0.5812,-,0.5812,https://www.genome.jp/dbget-bin/www_bget?dr:D07685
4315,D07865, Dixyrazine, Phenothiazines with piperazine structure,N05AB01,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)C[C@H](C[N@@H+]1CC[N@@H+](CC1)CCOCCO)C,429.619,3.9211,136.502,66.88,39,3,3,MSYUMPGNGDNTIQ-FQEVSTJZSA-P,C24H35N3O2S++,OCCOCC[NH+]1CC[NH+](CC1)CC(CN1c2ccccc2Sc2c1cccc2)C,"InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3/p+2/t20-/m0/s1",-6.0756,-6.0183,-4.6327,-4.6266,-4.5624,-4.5449,2.3494,2.3614,2.3769,2.3788,2.5454,D07865_N05AB01,2002010000a000001000060100820008a10000001000200200010000004400001900080a2100803600000038000010e0000200020200200800000020001004140a000900481012200020000002000000008000600440200060090000002000000000000010000000002000008000042000061084000012000006800002400000,0100001c30f121,059850020500000000000000000000000000000000000000000000000000000000004600c02204,000000000800210480c4b3469a59a4a34da74dfd1f,0,12,56,0,0,9,65,68,-12.370999999999999,-8.236,1,0.0,3.24799e-05,-,1.3179,-,1.3179,https://www.genome.jp/dbget-bin/www_bget?dr:D07865
4316,D07977, Fluphenazine (INN), Phenothiazines with piperazine structure,N05AB02,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)CCO,439.537,4.6773,125.99799999999999,57.65,31,3,2,PLDUPXSUYLZYBN-UHFFFAOYSA-P,C22H28F3N3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2/p+2",-6.0173,-5.9646,-4.5713,-4.5711,-4.5263,-4.5212,1.7225,1.7695,2.3506,2.3583,3.3663,D07977_N05AB02,2002010000a01000100006010082400880000090100020020001008000400400190048022100802200002038000010e1100200020200200800000022001004140a000800400012200020010102000000048000600440200070090000002000000000000010040000002000008000042000061104000112400016800002400000,0100001c00f121,021950020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3469ad7a0836da74d3d1f,3,12,49,0,0,7,58,61,-12.159,-8.475,0,1.0,1.87623e-05,-,1.6565,-,1.6565,https://www.genome.jp/dbget-bin/www_bget?dr:D07977
4317,D00791, Fluphenazine hydrochloride (JAN/USP), Phenothiazines with piperazine structure,N05AB02,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)CCO,439.537,4.6773,125.99799999999999,57.65,31,3,2,PLDUPXSUYLZYBN-UHFFFAOYSA-P,C22H28F3N3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2/p+2",-6.0173,-6.0156,-4.5575,-4.5489999999999995,-4.5374,-4.5334,1.7929,2.041,2.3464,2.3635,3.158,D00791_N05AB02,2002010000a01000100006010082400880000090100020020001008000400400190048022100802200002038000010e1100200020200200800000022001004140a000800400012200020010102000000048000600440200070090000002000000000000010040000002000008000042000061104000112400016800002400000,0100001c00f121,021950020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3469ad7a0836da74d3d1f,3,12,49,0,0,7,58,61,-12.159,-8.476,0,,1.88083e-05,-,1.6565,-,1.6565,https://www.genome.jp/dbget-bin/www_bget?dr:D00791
4318,D00792, Fluphenazine enanthate (JP17/USP), Phenothiazines with piperazine structure,N05AB02,NERVOUS SYSTEM,c12c(Sc3c(N1CCC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)CCCCCC)cc(cc3)C(F)(F)F)cccc2,551.707,7.1986,159.77,63.72,44,2,3,LRWSFOSWNAQHHW-UHFFFAOYSA-P,C29H40F3N3O2S++,CCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3/p+2",-6.0112,-6.0,-4.6057,-4.5483,-4.5356,-4.5261,1.6043,1.7123,1.8066,2.3571,2.3684,D00792_N05AB02,2002010000a012001000060100824008810000901000200200010080004404101900480221008033000a2038200010e1110200020220600800000022001086140a10080048101220002081010a8000040490006004402000700900000020000000000000100400000020000080000c2000071184000312400016800102400100,0500000030f125,030150020500000000009000000000000000000000000000000000000000000000004600e02a05,000000000802210400c4b3469adfaea76da34dff1f,3,12,68,1,0,14,78,81,-12.132,-8.443999999999999,0,1.0,0.00017800400000000003,-,2.7468,-,2.7468,https://www.genome.jp/dbget-bin/www_bget?dr:D00792
4319,D00793, Fluphenazine decanoate (JAN/USP), Phenothiazines with piperazine structure,N05AB02,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)CCOC(=O)CCCCCCCCC,593.7869999999999,8.3689,174.19099999999997,63.72,50,2,3,VIQCGTZFEYDQMR-UHFFFAOYSA-P,C32H46F3N3O2S++,CCCCCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3/p+2",-6.0191,-6.0135,-4.5672,-4.562,-4.553999999999999,-4.5457,1.8259999999999998,1.9654,1.9766,2.3612,2.3744,D00793_N05AB02,2002010000a012001000060100824008810000901000200200010080004404101900480221008033000a2038200010e1110200020220600800000022001086140a10080048101220002081010a8000040490006004402000700900000020000000000000100400000020000080000c2000071184000312400016800102400100,0500000030f125,030150020500000000009000000000000000000000000000000000000000000000004600e02a05,000000000802210400c4b3469adfaea76da34dff1f,3,12,77,1,0,17,87,90,-12.020999999999999,-8.419,0,1.0,0.001860315,-,3.6802,-,3.6802,https://www.genome.jp/dbget-bin/www_bget?dr:D00793
4320,D02163, Fluphenazine maleate (JAN), Phenothiazines with piperazine structure,N05AB02,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)CCO,439.537,4.6773,125.99799999999999,57.65,31,3,2,PLDUPXSUYLZYBN-UHFFFAOYSA-P,C22H28F3N3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2/p+2",-6.0151,-5.9664,-4.5749,-4.5729,-4.52,-4.5198,1.7369,1.7668,2.349,2.3564,3.3747,D02163_N05AB02,2002010000a01000100006010082400880000090100020020001008000400400190048022100802200002038000010e1100200020200200800000022001004140a000800400012200020010102000000048000600440200070090000002000000000000010040000002000008000042000061104000112400016800002400000,0100001c00f121,021950020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3469ad7a0836da74d3d1f,3,12,49,0,0,7,58,61,-12.159,-8.475,0,,1.88064e-05,-,1.6565,-,1.6565,https://www.genome.jp/dbget-bin/www_bget?dr:D02163
4321,D00503, Perphenazine (JP17/USP/INN), Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCO,405.985,4.3119,126.006,57.65,31,3,2,RGCVKNLCSQQDEP-UHFFFAOYSA-P,C21H28ClN3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/p+2",-6.0105,-5.9883,-4.5542,-4.5501,-4.5469,-4.5468,1.6721,1.7847,2.3516,2.3551,3.2748,D00503_N05AB03,2002030000a00000100006010082000880000000100020120001000000600000190008022100802200090038000010e0004200020200200800000020001004140a000800400012200120000006000002008800600440200060090000002000000000000010000008002000088000042000061005000012000006800002c00000,0100001c00f121,021850020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f346da55a0836da74d3d1f,0,12,46,0,0,6,55,58,-12.374,-8.385,0,1.0,9.14619e-06,-,1.2261,-,1.2261,https://www.genome.jp/dbget-bin/www_bget?dr:D00503
4322,D02037, Perphenazine maleate (JP17), Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCO,405.985,4.3119,126.006,57.65,31,3,2,RGCVKNLCSQQDEP-UHFFFAOYSA-P,C21H28ClN3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/p+2",-6.0236,-6.0119,-4.5694,-4.5529,-4.5439,-4.5363,1.7544,1.7848,2.3534,2.3592,3.1313,D02037_N05AB03,2002030000a00000100006010082000880000000100020120001000000600000190008022100802200090038000010e0004200020200200800000020001004140a000800400012200120000006000002008800600440200060090000002000000000000010000008002000088000042000061005000012000006800002c00000,0100001c00f121,021850020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f346da55a0836da74d3d1f,0,12,46,0,0,6,55,58,-12.387,-8.392999999999999,0,,9.15706e-06,-,1.2261,-,1.2261,https://www.genome.jp/dbget-bin/www_bget?dr:D02037
4323,D04038, Perphenazine fendizoate (JAN), Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCO,405.985,4.3119,126.006,57.65,31,3,2,RGCVKNLCSQQDEP-UHFFFAOYSA-P,C21H28ClN3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/p+2",-6.0017,-5.978,-4.5666,-4.5515,-4.5342,-4.5277,1.6643,1.7696,2.3499,2.3529,3.2873,D04038_N05AB03,2002030000a00000100006010082000880000000100020120001000000600000190008022100802200090038000010e0004200020200200800000020001004140a000800400012200120000006000002008800600440200060090000002000000000000010000008002000088000042000061005000012000006800002c00000,0100001c00f121,021850020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f346da55a0836da74d3d1f,0,12,46,0,0,6,55,58,-12.374,-8.388,0,1.0,9.14934e-06,-,1.2261,-,1.2261,https://www.genome.jp/dbget-bin/www_bget?dr:D04038
4324,D04965, Perphenazine hydrochloride, Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCO,405.985,4.3119,126.006,57.65,31,3,2,RGCVKNLCSQQDEP-UHFFFAOYSA-P,C21H28ClN3OS++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2/p+2",-6.0234,-6.0121,-4.5622,-4.5484,-4.5403,-4.518,1.7595,1.7735,2.3473,2.3622,3.1262,D04965_N05AB03,2002030000a00000100006010082000880000000100020120001000000600000190008022100802200090038000010e0004200020200200800000020001004140a000800400012200120000006000002008800600440200060090000002000000000000010000008002000088000042000061005000012000006800002c00000,0100001c00f121,021850020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f346da55a0836da74d3d1f,0,12,46,0,0,6,55,58,-12.372,-8.389,0,0.0,9.14842e-06,-,1.2261,-,1.2261,https://www.genome.jp/dbget-bin/www_bget?dr:D04965
4325,D08341, Perphenazine decanoate, Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)CCCCCCCCC,560.234,8.0035,174.199,63.72,50,2,3,WAVWONFNDBPAGA-UHFFFAOYSA-P,C31H46ClN3O2S++,CCCCCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C31H44ClN3O2S/c1-2-3-4-5-6-7-8-14-31(36)37-24-23-34-21-19-33(20-22-34)17-11-18-35-27-12-9-10-13-29(27)38-30-16-15-26(32)25-28(30)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3/p+2",-6.0043,-5.9987,-4.5526,-4.5418,-4.5402,-4.5141,1.5829,1.9855,2.0091,2.3462,2.3614,D08341_N05AB03,2002030000a002001000060100820008810000001000201200010000006400101900080221008033000b0038200010e0014200020220600800000020001086140a10080048101220012080000e8000060098006004402000600900000020000000000000100000080020000880000c2000071185000212000006800102c00100,0500000030f125,030050020500000000009000000000000000000000040000000000000000000000004600c02a05,000000000800210400c4f346da5daea76da34dff1f,0,12,74,1,0,16,84,87,-12.395999999999999,-8.332,0,0.0,0.0008241069999999999,-,3.0895,-,3.0895,https://www.genome.jp/dbget-bin/www_bget?dr:D08341
4326,D08342, Perphenazine enantate, Phenothiazines with piperazine structure,N05AB03,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)CCCCCC,518.154,6.8332,159.778,63.72,44,2,3,PWEGQJCIAMJJHC-UHFFFAOYSA-P,C28H40ClN3O2S++,CCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C28H38ClN3O2S/c1-2-3-4-5-11-28(33)34-21-20-31-18-16-30(17-19-31)14-8-15-32-24-9-6-7-10-26(24)35-27-13-12-23(29)22-25(27)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3/p+2",-6.0329,-5.9908,-4.6838,-4.6669,-4.5994,-4.5918,1.6415,2.0241,2.1344,2.2563,2.4012,D08342_N05AB03,2002030000a002001000060100820008810000001000201200010000006400101900080221008033000b0038200010e0014200020220600800000020001086140a10080048101220012080000e8000060098006004402000600900000020000000000000100000080020000880000c2000071185000212000006800102c00100,0500000030f125,030050020500000000009000000000000000000000040000000000000000000000004600c02a05,000000000800210400c4f346da5daea76da34dff1f,0,12,65,1,0,13,75,78,-12.397,-8.331,0,0.0,0.00014110000000000001,-,2.1833,-,2.1833,https://www.genome.jp/dbget-bin/www_bget?dr:D08342
4327,D00493, Prochlorperazine (JAN/USP/INN), Phenothiazines with piperazine structure,N05AB04,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)C,375.959,4.9494,120.037,37.42,28,2,1,WIKYUJGCLQQFNW-UHFFFAOYSA-P,C20H26ClN3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0169,-6.0064,-4.5725,-4.5433,-4.5404,-4.5397,1.5746,1.5955,1.7829,2.3432,2.3564,D00493_N05AB04,2002030000a00000100006010082000880000000100020120001000000600000190008022100802000090038000010e00042000202002008000000200010040402000000400002200120000006000002008800600440200060090000002000000000000010000008002000080000042000061005000012000006800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f316da45ac8365a34dad17,0,12,42,0,0,4,51,54,-12.34,-8.368,0,,3.9906599999999995e-06,-,1.0044,-,1.0044,https://www.genome.jp/dbget-bin/www_bget?dr:D00493
4328,D00479, Prochlorperazine maleate (JP17/USP), Phenothiazines with piperazine structure,N05AB04,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)C,375.959,4.9494,120.037,37.42,28,2,1,WIKYUJGCLQQFNW-UHFFFAOYSA-P,C20H26ClN3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0186,-6.0098,-4.5727,-4.548,-4.5466,-4.5421,1.5822,1.5961,1.7898,2.35,2.351,D00479_N05AB04,2002030000a00000100006010082000880000000100020120001000000600000190008022100802000090038000010e00042000202002008000000200010040402000000400002200120000006000002008800600440200060090000002000000000000010000008002000080000042000061005000012000006800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f316da45ac8365a34dad17,0,12,42,0,0,4,51,54,-12.354000000000001,-8.377,0,,4.01353e-06,-,1.0044,-,1.0044,https://www.genome.jp/dbget-bin/www_bget?dr:D00479
4329,D02022, Prochlorperazine mesilate (JAN), Phenothiazines with piperazine structure,N05AB04,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)C,375.959,4.9494,120.037,37.42,28,2,1,WIKYUJGCLQQFNW-UHFFFAOYSA-P,C20H26ClN3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.016,-6.0074,-4.574,-4.5512,-4.5448,-4.5408,1.5875,1.5999,1.7487,2.345,2.3525,D02022_N05AB04,2002030000a00000100006010082000880000000100020120001000000600000190008022100802000090038000010e00042000202002008000000200010040402000000400002200120000006000002008800600440200060090000002000000000000010000008002000080000042000061005000012000006800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f316da45ac8365a34dad17,0,12,42,0,0,4,51,54,-12.353,-8.376,0,,4.01347e-06,-,1.0044,-,1.0044,https://www.genome.jp/dbget-bin/www_bget?dr:D02022
4330,D02609, Prochlorperazine edisylate (USP), Phenothiazines with piperazine structure,N05AB04,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)C,375.959,4.9494,120.037,37.42,28,2,1,WIKYUJGCLQQFNW-UHFFFAOYSA-P,C20H26ClN3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0156,-6.0097,-4.5682,-4.5461,-4.5458,-4.5449,1.581,1.5951,1.7553,2.351,2.3533,D02609_N05AB04,2002030000a00000100006010082000880000000100020120001000000600000190008022100802000090038000010e00042000202002008000000200010040402000000400002200120000006000002008800600440200060090000002000000000000010000008002000080000042000061005000012000006800002c00000,0100000000f121,020050020500000000000000000000000000000000040000000000000000000000004600c02204,000000000800210400c4f316da45ac8365a34dad17,0,12,42,0,0,4,51,54,-12.353,-8.376,0,,4.01008e-06,-,1.0044,-,1.0044,https://www.genome.jp/dbget-bin/www_bget?dr:D02609
4331,D09216, Thiopropazate (INN), Phenothiazines with piperazine structure,N05AB05,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)Cl)CCC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)C,448.02099999999996,4.8827,135.743,63.72,34,2,3,AIUHRQHVWSUTGJ-UHFFFAOYSA-P,C23H30ClN3O2S++,CC(=O)OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3/p+2",-6.0147,-6.0041,-4.5881,-4.578,-4.544,-4.5111,1.7763,1.8889,1.9834,2.3299,2.3579,D09216_N05AB05,2002030000a000001000060100820008810000001000201200010000006400001900080221008032000b0038000010e0004200020200200800000020001006140a000800481012200120000006800002008800600440200060090000002000000000000010000008002000088000042000061085000212000006800002c00000,0500000030f125,030050020500000000009000000000000000000000040000000000000000000000004600c02a05,000000000800210400c4f346da5da8a76da34dff1f,0,12,50,1,0,8,60,63,-12.392000000000001,-8.38,0,1.0,3.6659099999999996e-05,-,1.3264,-,1.3264,https://www.genome.jp/dbget-bin/www_bget?dr:D09216
4332,D08636, Trifluoperazine (INN), Phenothiazines with piperazine structure,N05AB06,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)C,409.51099999999997,5.3148,120.029,37.42,28,2,1,ZEWQUBUPAILYHI-UHFFFAOYSA-P,C21H26F3N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0644,-6.0059,-4.6004,-4.5824,-4.5621,-4.5558,1.6033,1.6064,2.3499,2.3549,2.5369,D08636_N05AB06,2002010000a01000100006010082400880000090100020020001008000400400190048022100802000002038000010e11002000202002008000000220010040402000000400002200020010102000000048000600440200070090000002000000000000010040000002000000000042000061104000112400016800002400000,0100000000f121,020150020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3169ac7ac8365a34dad17,3,12,45,0,0,5,54,57,-12.055,-8.435,0,-2.0,8.66303e-06,-,1.4261,-,1.4261,https://www.genome.jp/dbget-bin/www_bget?dr:D08636
4333,D00799, Trifluoperazine hydrochloride (JAN/USP), Phenothiazines with piperazine structure,N05AB06,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@@H+]1CC[N@@H+](CC1)C,409.51099999999997,5.3148,120.029,37.42,28,2,1,ZEWQUBUPAILYHI-UHFFFAOYSA-P,C21H26F3N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0154,-6.0088,-4.5669,-4.5516,-4.5437,-4.5405,1.5821,1.5938,1.7682,2.349,2.3568,D00799_N05AB06,2002010000a01000100006010082400880000090100020020001008000400400190048022100802000002038000010e11002000202002008000000220010040402000000400002200020010102000000048000600440200070090000002000000000000010040000002000000000042000061104000112400016800002400000,0100000000f121,020150020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3169ac7ac8365a34dad17,3,12,45,0,0,5,54,57,-12.091,-8.484,0,,8.638630000000001e-06,-,1.4261,-,1.4261,https://www.genome.jp/dbget-bin/www_bget?dr:D00799
4334,D01448, Trifluoperazine maleate (JAN), Phenothiazines with piperazine structure,N05AB06,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)C(F)(F)F)CCC[N@H+]1CC[N@H+](CC1)C,409.51099999999997,5.3148,120.029,37.42,28,2,1,ZEWQUBUPAILYHI-UHFFFAOYSA-P,C21H26F3N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3/p+2",-6.0225,-6.0047,-4.593,-4.5653,-4.5564,-4.5314,1.5816,1.6099,1.7684,2.3512,2.3546,D01448_N05AB06,2002010000a01000100006010082400880000090100020020001008000400400190048022100802000002038000010e11002000202002008000000220010040402000000400002200020010102000000048000600440200070090000002000000000000010040000002000000000042000061104000112400016800002400000,0100000000f121,020150020500000000000000000000000000000000000000000000000000000000004600e02204,000000000802210400c4b3169ac7ac8365a34dad17,3,12,45,0,0,5,54,57,-12.055,-8.432,0,,8.655839999999999e-06,-,1.4261,-,1.4261,https://www.genome.jp/dbget-bin/www_bget?dr:D01448
4335,D00788, Acetophenazine maleate (USAN), Phenothiazines with piperazine structure,N05AB07,NERVOUS SYSTEM,c12N(c3c(Sc1ccc(c2)C(=O)C)cccc3)CCC[N@@H+]1CC[N@@H+](CC1)CCO,413.57599999999996,3.8611,131.191,74.72,35,3,3,WNTYBHLDCKXEOT-UHFFFAOYSA-P,C23H31N3O2S++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C,"InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3/p+2",-5.9949,-5.9754,-4.5646,-4.5515,-4.5354,-4.5332,1.6640000000000001,1.7738,2.3471,2.3567,3.3035,D00788_N05AB07,2006010000a000801200060100824028800000001000200200010080004004001d0048022100802200020638000010e5000200020200200801000022001004140a00081040001220002001000280000000800060044020087009080000204000000000001000000000200000800004200006110400011240001e800002400000,1500001c00f121,031850020500010000000000000000000001000000000000000000000000000000004640c02a05,000000000800210400c4b3469a51a0834da7cdff1f,0,12,50,1,0,7,60,63,-12.054,-8.402000000000001,0,,5.64808e-06,-,1.3152,-,1.3152,https://www.genome.jp/dbget-bin/www_bget?dr:D00788
4336,D08585, Thioproperazine (INN), Phenothiazines with piperazine structure,N05AB08,NERVOUS SYSTEM,S1c2c(N(c3c1cccc3)CCC[N@@H+]1CC[N@@H+](CC1)C)cc(cc2)S(=O)(=O)N(C)C,448.645,4.6271,135.82399999999998,83.18,37,2,4,VZYCZNZBPPHOFY-UHFFFAOYSA-P,C22H32N4O2S2++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3/p+2",-10.5218,-9.3232,-9.2541,-6.0188,-6.0033,-4.5712,2.4097,2.7407,2.7568,3.0743,3.091,D08585_N05AB08,6002010000a0000114000621008600088c0000001008200200010000004000001900480a2100802000200038020010e00062000202006008000000200030040402020000400122a0012300000200000020800060046060006009000000200000000000001000000000200200000204200006b004000012010006c00012400000,0100000000f121,020050020500000000000000000000000000000000000000000024000000000000004640c02204,000000800900659e04c7b336bac3bc8bc7b35ded1f,0,12,51,2,0,6,62,65,-12.149000000000001,-8.482999999999999,0,0.0,3.8409e-06,-,1.6634,-,1.6634,https://www.genome.jp/dbget-bin/www_bget?dr:D08585
4337,D01447, Thioproperazine mesilate (JAN), Phenothiazines with piperazine structure,N05AB08,NERVOUS SYSTEM,S1c2c(N(c3c1cccc3)CCC[N@@H+]1CC[N@@H+](CC1)C)cc(cc2)S(=O)(=O)N(C)C,448.645,4.6271,135.82399999999998,83.18,37,2,4,VZYCZNZBPPHOFY-UHFFFAOYSA-P,C22H32N4O2S2++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3/p+2",-10.3996,-9.3984,-9.2671,-6.0120000000000005,-6.0113,-4.5585,2.4124,2.7564,2.7753,3.0788,3.0867,D01447_N05AB08,6002010000a0000114000621008600088c0000001008200200010000004000001900480a2100802000200038020010e00062000202006008000000200030040402020000400122a0012300000200000020800060046060006009000000200000000000001000000000200200000204200006b004000012010006c00012400000,0100000000f121,020050020500000000000000000000000000000000000000000024000000000000004640c02204,000000800900659e04c7b336bac3bc8bc7b35ded1f,0,12,51,2,0,6,62,65,-12.148,-8.482000000000001,0,0.0,3.83981e-06,-,1.6634,-,1.6634,https://www.genome.jp/dbget-bin/www_bget?dr:D01447
4338,D02642, Butaperazine (USAN), Phenothiazines with piperazine structure,N05AB09,NERVOUS SYSTEM,c12c(cccc1)N(c1c(S2)ccc(c1)C(=O)CCC)CCC[N@@H+]1CC[N@@H+](CC1)C,411.603,5.2788,134.836,54.49,36,2,2,DVLBYTMYSMAKHP-UHFFFAOYSA-P,C24H33N3OS++,CCCC(=O)c1ccc2c(c1)N(CCC[NH+]1CC[NH+](CC1)C)c1c(S2)cccc1,"InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3/p+2",-6.0159,-6.0016,-4.572,-4.5411,-4.5357,-4.5354,1.5752,1.5807,1.5959,2.3491,2.3576,D02642_N05AB09,2006010000a000801200060100824028800000001000200200010080004004001d0048022100802000020638000110e5010200020200200801000022001004040200001040000220002821000280000400900060044030087009080000284000000000001000000000200000000004200006110402011240001e800102400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a05,000000000800210400c4b3169a41ae834da3ddaf1f,0,12,52,1,0,7,62,65,-11.922,-8.366,0,,3.21633e-05,-,1.2468,-,1.2468,https://www.genome.jp/dbget-bin/www_bget?dr:D02642
4339,D02643, Butaperazine maleate (USAN), Phenothiazines with piperazine structure,N05AB09,NERVOUS SYSTEM,c12c(cccc1)N(c1c(S2)ccc(c1)C(=O)CCC)CCC[N@@H+]1CC[N@@H+](CC1)C,411.603,5.2788,134.836,54.49,36,2,2,DVLBYTMYSMAKHP-UHFFFAOYSA-P,C24H33N3OS++,CCCC(=O)c1ccc2c(c1)N(CCC[NH+]1CC[NH+](CC1)C)c1c(S2)cccc1,"InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3/p+2",-6.0222,-5.9949,-4.5891,-4.5686,-4.5642,-4.5436,1.6113,1.6219,1.6543,2.3583,2.3658,D02643_N05AB09,2006010000a000801200060100824028800000001000200200010080004004001d0048022100802000020638000110e5010200020200200801000022001004040200001040000220002821000280000400900060044030087009080000284000000000001000000000200000000004200006110402011240001e800102400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a05,000000000800210400c4b3169a41ae834da3ddaf1f,0,12,52,1,0,7,62,65,-11.909,-8.363999999999999,0,,3.22287e-05,-,1.2468,-,1.2468,https://www.genome.jp/dbget-bin/www_bget?dr:D02643
4340,D01412, Perazine maleate (JAN), Phenothiazines with piperazine structure,N05AB10,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)CCC[N@@H+]1CC[N@@H+](CC1)C,341.51300000000003,4.296,115.027,37.42,29,2,1,WEYVCQFUGFRXOM-UHFFFAOYSA-P,C20H27N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cccc2,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3/p+2",-6.019,-6.0104,-4.5748,-4.5412,-4.5391,-4.5389,1.5803,1.5955,1.8034,2.35,2.3542,D01412_N05AB10,2002010000a00000100006010082000880000000100020020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400002200020000002000000008000600440200060090000002000000000000010000000002000000000042000061004000012000006800002400000,0100000000f121,020050020500000000000000000000000000000000000000000000000000000000004600c02204,000000000800210400c4b3169a41ac8345a34dad17,0,12,42,0,0,4,51,54,-12.25,-8.405,0,,1.6204100000000002e-09,+,1.0515,-,1.0515,https://www.genome.jp/dbget-bin/www_bget?dr:D01412
4341,D01860, Perazine dimalonate (JAN), Phenothiazines with piperazine structure,N05AB10,NERVOUS SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)CCC[N@@H+]1CC[N@@H+](CC1)C,341.51300000000003,4.296,115.027,37.42,29,2,1,WEYVCQFUGFRXOM-UHFFFAOYSA-P,C20H27N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cccc2,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3/p+2",-6.0193,-6.0102,-4.5744,-4.5412,-4.5405,-4.5402,1.5792,1.5958,1.7891,2.3484,2.3555,D01860_N05AB10,2002010000a00000100006010082000880000000100020020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400002200020000002000000008000600440200060090000002000000000000010000000002000000000042000061004000012000006800002400000,0100000000f121,020050020500000000000000000000000000000000000000000000000000000000004600c02204,000000000800210400c4b3169a41ac8345a34dad17,0,12,42,0,0,4,51,54,-12.241,-8.405,0,0.0,1.7014000000000001e-09,+,1.0473,-,1.0473,https://www.genome.jp/dbget-bin/www_bget?dr:D01860
4342,D02608, Perazine fendizoate (JAN), Phenothiazines with piperazine structure,N05AB10,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)CCC[N@@H+]1CC[N@@H+](CC1)C,341.51300000000003,4.296,115.027,37.42,29,2,1,WEYVCQFUGFRXOM-UHFFFAOYSA-P,C20H27N3S++,C[NH+]1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cccc2,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3/p+2",-6.0201,-6.0114,-4.5779,-4.5428,-4.5409,-4.5394,1.5803,1.5966,1.7896,2.3514,2.3547,D02608_N05AB10,2002010000a00000100006010082000880000000100020020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400002200020000002000000008000600440200060090000002000000000000010000000002000000000042000061004000012000006800002400000,0100000000f121,020050020500000000000000000000000000000000000000000000000000000000004600c02204,000000000800210400c4b3169a41ac8345a34dad17,0,12,42,0,0,4,51,54,-12.25,-8.402000000000001,0,0.0,1.62127e-09,+,1.0515,-,1.0515,https://www.genome.jp/dbget-bin/www_bget?dr:D02608
4343,D01485, Propericiazine (JAN), Phenothiazines with piperidine structure,N05AC01,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)ccc(c1)C#N)CCC[N@@H+]1CC[C@@H](CC1)O,366.5,4.224880000000001,113.131,77.0,28,2,3,LUALIOATIOESLM-UHFFFAOYSA-O,C21H24N3OS+,N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(CC1)O)c1c(S2)cccc1,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2/p+1",-6.0295,-4.5869,-4.5531,-4.5152,-3.3057,-2.0461,1.462,1.5830000000000002,1.5841,1.5963,1.7408,D01485_N05AC01,2022010000a00000100406010082400080000010100020020001008001400400190058008004802100000018000010e1010200020200e00800000022001044040a0008004008022000000100020000000080017004402000f00980000020000000000020100000000020000020000c2000061100000112400016800102400000,0100002c00f131,022850020500000000000000000000001000000000000000000000000000000000004680c02204,00000000080111040084b3069b41a0c34de7cd3d1f,0,12,40,0,1,4,50,53,-10.37,-4.133,0,0.0,0.045395769,-,1.0855,-,1.0855,https://www.genome.jp/dbget-bin/www_bget?dr:D01485
4344,D00373, Thioridazine (USP/INN), Phenothiazines with piperidine structure,N05AC02,NERVOUS SYSTEM,N1(c2c(Sc3c1cc(cc3)SC)cccc2)CC[C@@H]1[N@@H+](CCCC1)C,371.582,6.1027,118.975,58.28,30,1,2,KLBQZWRITKRQQV-MRXNPFEDSA-O,C21H27N2S2+,CSc1ccc2c(c1)N(CCC1CCCC[NH+]1C)c1c(S2)cccc1,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/p+1/t16-/m1/s1",-6.0425,-4.5995,-4.5791,-4.5464,-2.0339,-1.6223,1.4478,1.4597,1.5804,1.5901,1.6093,D00373_N05AC02,2022010000a00201100006010082000080000010100820020001000000400000190018000000802010000018000010e001020002022020080000002000100404020000004001022000010000020000002080017004402000e0090000002000000000002010100000002002000000042000061000000012000006c00102500000,0100000000f121,020058022500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001840084b3169a49ac8341a37dad17,0,12,43,0,0,4,52,55,-10.113,-3.9760000000000004,2,,0.287130266,-,1.6282,-,1.6282,https://www.genome.jp/dbget-bin/www_bget?dr:D00373
4345,D00798, Thioridazine hydrochloride (JP17/USP), Phenothiazines with piperidine structure,N05AC02,NERVOUS SYSTEM,N1(c2c(Sc3c1cc(cc3)SC)cccc2)CC[C@@H]1[N@@H+](CCCC1)C,371.582,6.1027,118.975,58.28,30,1,2,KLBQZWRITKRQQV-MRXNPFEDSA-O,C21H27N2S2+,CSc1ccc2c(c1)N(CCC1CCCC[NH+]1C)c1c(S2)cccc1,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/p+1/t16-/m1/s1",-6.0326,-4.5925,-4.5874,-4.5222,-2.0403,-1.3019,1.4439,1.4503,1.57,1.5735,1.5961,D00798_N05AC02,2022010000a00201100006010082000080000010100820020001000000400000190018000000802010000018000010e001020002022020080000002000100404020000004001022000010000020000002080017004402000e0090000002000000000002010100000002002000000042000061000000012000006c00102500000,0100000000f121,020058022500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001840084b3169a49ac8341a37dad17,0,12,43,0,0,4,52,55,-10.111,-3.975,2,1.0,0.287136137,-,1.6282,-,1.6282,https://www.genome.jp/dbget-bin/www_bget?dr:D00798
4346,D02671, Mesoridazine (USAN/INN), Phenothiazines with piperidine structure,N05AC03,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)[S@](=O)C)CC[C@H]1CCCC[N@H+]1C,387.582,5.9839,119.661,69.26,30,1,2,SLVMESMUVMCQIY-AKJBCIBTSA-O,C21H27N2OS2+,C[NH+]1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/p+1/t16-,26-/m1/s1",-6.0351,-4.6109,-4.5933,-4.5298,-2.041,-1.3,1.4261,1.455,1.5627,1.5817,1.5918,D02671_N05AC03,2022010000a00201100006010082000080000010100820020001000000400000190018080000802010000018020010e00122000202202008000000200010040402000000400122a000010000020000002080017004406000e0090000002000000000002010100000002002000002042000069000000012000006c00102500000,0100000000f121,020050020500000000000000000000000000000000000000000100000000000000004640c02a05,000000000800059c0485b316ba49ac8b41a37dad1f,0,12,43,1,0,4,53,56,-10.315,-3.85,2,,0.013351661,-,1.5917,-,1.5917,https://www.genome.jp/dbget-bin/www_bget?dr:D02671
4347,D00795, Mesoridazine besylate (USP), Phenothiazines with piperidine structure,N05AC03,NERVOUS SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)[S@](=O)C)CC[C@H]1CCCC[N@H+]1C,387.582,5.9839,119.661,69.26,30,1,2,SLVMESMUVMCQIY-AKJBCIBTSA-O,C21H27N2OS2+,C[NH+]1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/p+1/t16-,26-/m1/s1",-6.0342,-4.6115,-4.593,-4.5281,-2.0402,-1.2996,1.4273,1.4551,1.5607,1.5808,1.5914,D00795_N05AC03,2022010000a00201100006010082000080000010100820020001000000400000190018080000802010000018020010e00122000202202008000000200010040402000000400122a000010000020000002080017004406000e0090000002000000000002010100000002002000002042000069000000012000006c00102500000,0100000000f121,020050020500000000000000000000000000000000000000000100000000000000004640c02a05,000000000800059c0485b316ba49ac8b41a37dad1f,0,12,43,1,0,4,53,56,-10.317,-3.85,2,-1.0,0.013341859,-,1.5917,-,1.5917,https://www.genome.jp/dbget-bin/www_bget?dr:D00795
4348,D08385, Pipotiazine (INN), Phenothiazines with piperidine structure,N05AC04,NERVOUS SYSTEM,c1cc(cc2c1Sc1c(N2CCC[N@@H+]2CC[C@@H](CC2)CCO)cccc1)S(=O)(=O)N(C)C,476.675,5.322,138.827,98.97,40,2,5,JOMHSQGEWSNUKU-UHFFFAOYSA-O,C24H34N3O3S2+,OCCC1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3/p+1",-10.4834,-9.3666,-9.3294,-6.0369,-4.5919,-4.5746,1.7617,2.4165,2.7436,2.7561,3.0866,D08385_N05AC04,6022010000a0000114000621008600008c000010100820020001000000400000190058080000802100200018020010e0016200020200600800000020003004040a020800400122a001030001020000002080017004606000e00900000020000000000020100000000020020000020c200006b000000012010006c00112400000,0100001c00f121,061850020500000000000000000000000000000000000000000024000000000000004640c02204,000000800900459e0487b336bad3b08bcfa75ffd1f,0,12,55,2,0,8,66,69,-10.497,-3.963,0,-1.0,0.256408483,-,2.066,-,2.066,https://www.genome.jp/dbget-bin/www_bget?dr:D08385
4349,D02680, Pipotiazine palmitate (USAN), Phenothiazines with piperidine structure,N05AC04,NERVOUS SYSTEM,c1cc(cc2c1Sc1c(N2CCC[N@@H+]2CC[C@@H](CC2)CCOC(=O)CCCCCCCCCCCCCCC)cccc1)S(=O)(=O)N(C)C,715.084,11.3542,215.862,105.04,71,1,6,KTOYYUONFQWSMW-UHFFFAOYSA-O,C40H64N3O4S2+,CCCCCCCCCCCCCCCC(=O)OCCC1CC[NH+](CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3/p+1",-10.6037,-9.4024,-9.3602,-6.0335,-4.5934,-4.5846,1.5964,2.4149,2.7178,2.7347,3.1188,D02680_N05AC04,6022010000a0020116000621008600008c0000101008200200010000004400001900580800008021002a0018220010e0016200020220600800000020003086040a120800400122a0010380010a8000042090017004606000e00900000020000000000020100000000020020000020c200007b100000112010006c00152400100,0500000030f125,070050020500000000009000000000000000000000000000000024000000000000004640c02a05,000000800900459e0487b336badbbeafcbbb5fff1f,0,12,101,3,0,24,113,116,-10.459000000000001,-3.9210000000000003,0,-1.0,0.791540742,-,6.7907,-,6.7907,https://www.genome.jp/dbget-bin/www_bget?dr:D02680
4350,D00136, Haloperidol (JP17/USP/INN), Butyrophenone derivatives,N05AD01,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@@](CC1)(c1ccc(cc1)Cl)O)C(=O)c1ccc(cc1)F,376.87199999999996,4.5777,106.445,41.74,26,2,2,LNEPOXFFQSENCJ-UHFFFAOYSA-O,C21H24ClFNO2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)(O)c1ccc(cc1)Cl,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/p+1",-6.0377,-4.6246,-4.5675,-4.5499,-2.8941,-2.8087,1.4691,1.5644,1.5755,1.5822,1.9081,D00136_N05AD01,00268200000000c00a8006000000000001000010000004000000008001200000140050008000000120030218000100000102100000008000800000020000000008000c000000200000102000a68000060098015000003008c008080000091000000000200000000010400000000000000006010202011000000a000100800200,1500004c00f001,0248400204000100000000000000000000010000000c0000000000000000000000000640c02a05,000000000002112002047206cbc420c32d47cd771f,1,12,39,1,0,6,50,52,-12.238,-3.8760000000000003,0,1.0,0.191802055,-,0.9615,-,0.9615,https://www.genome.jp/dbget-bin/www_bget?dr:D00136
4351,D01898, Haloperidol decanoate (JAN/USAN), Butyrophenone derivatives,N05AD01,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@](CC1)(c1ccc(cc1)Cl)OC(=O)CCCCCCCCC)C(=O)c1ccc(cc1)F,531.121,8.2693,154.638,47.81,45,1,3,GUTXTARXLVFHDK-UHFFFAOYSA-O,C31H42ClFNO3+,CCCCCCCCCC(=O)OC1(CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F)c1ccc(cc1)Cl,"InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3/p+1",-6.0119,-4.6026,-4.547,-4.5086,-4.4234,-2.9701,1.541,1.5639,1.5818,1.5901,1.6298,D01898_N05AD01,00268202000002c00e800600000200000100001000000c0000200080012400001400500080000001200b021820010000010210000020c000800000020000a20008100c02000020000010a900ae8000060098015000003008c008080000091000000000200000000010400000100008000007010202011000000a000140800300,1500000030f005,0300400204000100000090000000000000010000000c0000000000000000000000000640c02a05,000000000002012002047206cbcc2ee7a943cff71f,1,12,67,2,0,16,79,81,-12.182,-3.695,0,,0.9892358179999999,-,2.8938,-,2.8938,https://www.genome.jp/dbget-bin/www_bget?dr:D01898
4352,D08035, Haloperidol lactate, Butyrophenone derivatives,N05AD01,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@](CC1)(c1ccc(cc1)Cl)OC(=O)[C@H](C)O)C(=O)c1ccc(cc1)F,448.935,4.5094,122.15100000000001,68.04,32,2,4,SSMDNDPTEWMEJG-KRWDZBQOSA-O,C24H28ClFNO4+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)(OC(=O)C(O)C)c1ccc(cc1)Cl,"InChI=1S/C24H27ClFNO4/c1-17(28)23(30)31-24(19-6-8-20(25)9-7-19)12-15-27(16-13-24)14-2-3-22(29)18-4-10-21(26)11-5-18/h4-11,17,28H,2-3,12-16H2,1H3/p+1/t17-/m0/s1",-6.0257,-4.5806,-4.5773,-4.5312,-4.4669,-2.9631,1.578,1.6257,1.7263,1.7403,1.9845,D08035_N05AD01,00268202000000c00e800600000200002100001000000c0000200080012400001400500880000005200b0218200100000102100000008000800000020000220008800c020000200000102900a680000600d8015000003008c008080000091000000000200000000010400000100000000006010202011080000a000140800200,1500002c30f005,0328400204000100000090000000000000010000000c0000000000000000000000000640c02a05,000000000002012082047206cbc420e7ad4fcff71f,1,12,47,2,0,9,59,61,-12.263,-4.063,1,0.0,0.504901052,-,1.3844,-,1.3844,https://www.genome.jp/dbget-bin/www_bget?dr:D08035
4353,D02625, Trifluperidol (USAN/INN), Butyrophenone derivatives,N05AD02,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[N@@H+]1CC[C@@](CC1)(c1cc(ccc1)C(F)(F)F)O)F,410.425,4.9431,106.43700000000001,41.74,26,2,2,GPMXUUPHFNMNDH-UHFFFAOYSA-O,C22H24F4NO2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)(O)c1cccc(c1)C(F)(F)F,"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2/p+1",-6.042000000000001,-4.6009,-4.5836,-4.5821,-4.1878,-4.1865,1.476,1.5879,1.5881,1.5914,1.9451,D02625_N05AD02,00268000000010c00a8006000000000001000090000000000000008001000000140050008000000120020218000100000102104000008000800000020000000008000c000000200000102001028000040290015000003008d008080000091000000000200004000010400000010000000006010202011000000a050100000200,1500004c00f001,024940020400010000000000000000000001000000080000000000000000000000000640e02a05,0000000000021120020472068bc620c32d47cd771f,4,12,42,1,0,7,53,55,-12.248,-3.895,0,1.0,0.39544692600000003,-,1.2935,-,1.2935,https://www.genome.jp/dbget-bin/www_bget?dr:D02625
4354,D08637, Trifluperidol hydrochloride, Butyrophenone derivatives,N05AD02,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[N@@H+]1CC[C@@](CC1)(c1cc(ccc1)C(F)(F)F)O)F,410.425,4.9431,106.43700000000001,41.74,26,2,2,GPMXUUPHFNMNDH-UHFFFAOYSA-O,C22H24F4NO2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)(O)c1cccc(c1)C(F)(F)F,"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2/p+1",-5.9769,-4.6396,-4.6174,-4.5941,-4.1922,-4.1835,1.4714,1.6112,1.6146,1.6598,2.6383,D08637_N05AD02,00268000000010c00a8006000000000001000090000000000000008001000000140050008000000120020218000100000102104000008000800000020000000008000c000000200000102001028000040290015000003008d008080000091000000000200004000010400000010000000006010202011000000a050100000200,1500004c00f001,024940020400010000000000000000000001000000080000000000000000000000000640e02a05,0000000000021120020472068bc620c32d47cd771f,4,12,42,1,0,7,53,55,-12.253,-3.9,0,0.0,0.36421102299999997,-,1.2652,-,1.2652,https://www.genome.jp/dbget-bin/www_bget?dr:D08637
4355,D07309, Melperone (INN), Butyrophenone derivatives,N05AD03,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[N@@H+]1CC[C@@H](CC1)C)F,264.358,3.6726,80.7102,21.51,24,1,1,DKMFBWQBDIGMHM-UHFFFAOYSA-O,C16H23FNO+,CC1CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3/p+1",-6.0003,-4.6247,-4.6189,-4.5896,-2.8422,-2.2541,1.4424,1.462,1.5934,1.5986,1.639,D07309_N05AD03,00268000000000800280060000000000010000100000000000000080000000001400500000000000000202180001000001021000000000008000000200000000000000000000200000102000028000040090015000003008c0080800000810000000002000000000100000000000000000060102020110000008000100000200,1500000000f001,070040020400010000000000000000000001000000080000000000000000000000000640c02a05,0000000000020100000472068a442c832903cda71f,1,6,36,1,0,5,42,43,-12.261,-3.949,0,0.0,0.015269386999999999,-,0.8240000000000001,-,0.8240000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D07309
4356,D08172, Melperone hydrochloride, Butyrophenone derivatives,N05AD03,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[N@@H+]1CC[C@@H](CC1)C)F,264.358,3.6726,80.7102,21.51,24,1,1,DKMFBWQBDIGMHM-UHFFFAOYSA-O,C16H23FNO+,CC1CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3/p+1",-6.0461,-4.5905,-4.5778,-4.5537,-2.8107,-1.4189,1.4387,1.47,1.5852,1.5879,1.5886,D08172_N05AD03,00268000000000800280060000000000010000100000000000000080000000001400500000000000000202180001000001021000000000008000000200000000000000000000200000102000028000040090015000003008c0080800000810000000002000000000100000000000000000060102020110000008000100000200,1500000000f001,070040020400010000000000000000000001000000080000000000000000000000000640c02a05,0000000000020100000472068a442c832903cda71f,1,6,36,1,0,5,42,43,-12.259,-3.949,0,1.0,0.015270892,-,0.8240000000000001,-,0.8240000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D08172
4357,D02623, Moperone (INN), Butyrophenone derivatives,N05AD04,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@@](CC1)(c1ccc(cc1)C)O)C(=O)c1ccc(cc1)F,356.454,4.2327,106.40100000000001,41.74,29,2,2,AGAHNABIDCTLHW-UHFFFAOYSA-O,C22H27FNO2+,Cc1ccc(cc1)C1(O)CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F,"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3/p+1",-6.0316,-4.6066,-4.5738,-4.5411,-2.8925,-2.8403,1.4661,1.5638,1.5722,1.5755,1.8367,D02623_N05AD04,00268000000000c00a8006000000000001000010000000000000008001000000140050008000000120020218000100000102100000008000800000020000000008000c000000200000102000028000040098015000003008c008080000091000000000200000000010400000000000000006050202011000000a000100000200,1500004c00f001,034840020400010000000000000000000001000000080000000000000000000000000640c02a05,0000000000021120020472068bc420c32d47cdf71f,1,12,42,1,0,6,53,55,-12.209000000000001,-3.783,0,,0.171082094,-,0.9676,-,0.9676,https://www.genome.jp/dbget-bin/www_bget?dr:D02623
4358,D01105, Moperone hydrochloride (JAN), Butyrophenone derivatives,N05AD04,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@@](CC1)(c1ccc(cc1)C)O)C(=O)c1ccc(cc1)F,356.454,4.2327,106.40100000000001,41.74,29,2,2,AGAHNABIDCTLHW-UHFFFAOYSA-O,C22H27FNO2+,Cc1ccc(cc1)C1(O)CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F,"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3/p+1",-6.0315,-4.6080000000000005,-4.5725,-4.5561,-2.8931,-2.8365,1.4656,1.5657,1.5699,1.5734,1.8364,D01105_N05AD04,00268000000000c00a8006000000000001000010000000000000008001000000140050008000000120020218000100000102100000008000800000020000000008000c000000200000102000028000040098015000003008c008080000091000000000200000000010400000000000000006050202011000000a000100000200,1500004c00f001,034840020400010000000000000000000001000000080000000000000000000000000640c02a05,0000000000021120020472068bc420c32d47cdf71f,1,12,42,1,0,6,53,55,-12.209000000000001,-3.782,0,1.0,0.171051636,-,0.9676,-,0.9676,https://www.genome.jp/dbget-bin/www_bget?dr:D01105
4359,D02622, Pipamperone (USAN/INN), Butyrophenone derivatives,N05AD05,NERVOUS SYSTEM,[C@@]1(CC[N@@H+](CC1)CCCC(=O)c1ccc(cc1)F)([NH+]1CCCCC1)C(=O)N,377.496,3.5989,113.35,69.04,35,3,3,AXKPFOAXAHJUAG-UHFFFAOYSA-P,C21H32FN3O2++,O=C(c1ccc(cc1)F)CCC[NH+]1CCC(CC1)([NH+]1CCCCC1)C(=O)N,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)/p+2",-6.0645,-6.0112,-4.8783,-4.8087,-4.6063,-4.5952,2.1892,2.5674,2.9356,2.9554,3.0682,D02622_N05AD05,002680000040008012800600000000080100001000000000000000800000000014005002010000000006023800010000010210000000000080000002000000000000000000002080001020000280000600b0035000003008e009080000083000000000200000000010000000000000000006010202011000000c000100000200,1500000000f001,020040020400010000008000060000000001000000080000000000000000000000000640c02a05,000000000002312002c47a4e8ae4b083bd23cd6f1f,1,6,53,2,0,7,59,61,-13.549000000000001,-7.358,0,,4.26832e-05,-,1.6381,-,1.6381,https://www.genome.jp/dbget-bin/www_bget?dr:D02622
4360,D01482, Pipamperone hydrochloride (JAN), Butyrophenone derivatives,N05AD05,NERVOUS SYSTEM,[C@@]1(CC[N@@H+](CC1)CCCC(=O)c1ccc(cc1)F)([NH+]1CCCCC1)C(=O)N,377.496,3.5989,113.35,69.04,35,3,3,AXKPFOAXAHJUAG-UHFFFAOYSA-P,C21H32FN3O2++,O=C(c1ccc(cc1)F)CCC[NH+]1CCC(CC1)([NH+]1CCCCC1)C(=O)N,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)/p+2",-6.0606,-6.0148,-4.8729,-4.8180000000000005,-4.6214,-4.5878,2.138,2.371,2.9261,2.9682,3.2915,D01482_N05AD05,002680000040008012800600000000080100001000000000000000800000000014005002010000000006023800010000010210000000000080000002000000000000000000002080001020000280000600b0035000003008e009080000083000000000200000000010000000000000000006010202011000000c000100000200,1500000000f001,020040020400010000008000060000000001000000080000000000000000000000000640c02a05,000000000002312002c47a4e8ae4b083bd23cd6f1f,1,6,53,2,0,7,59,61,-13.561,-7.361000000000001,0,1.0,4.26649e-05,-,1.6381,-,1.6381,https://www.genome.jp/dbget-bin/www_bget?dr:D01482
4361,D01101, Bromperidol (JAN/USAN/INN), Butyrophenone derivatives,N05AD06,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@@](CC1)(c1ccc(cc1)Br)O)C(=O)c1ccc(cc1)F,421.32300000000004,4.6868,109.135,41.74,26,2,2,RKLNONIVDFXQRX-UHFFFAOYSA-O,C21H24BrFNO2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)(O)c1ccc(cc1)Br,"InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/p+1",-5.9565,-4.6207,-4.5802,-4.5754,-2.8874,-2.8322,1.4546,1.5711,1.5755,1.5767,2.7635,D01101_N05AD06,00268008080000c00a8006000000000001000010000012000000008001000000140050008000000120020218000100000102100000008000801400020000000008000c000000200000102000128000040090015000003008c008080000091000000000200000000010400000000000000006010202011000008a000100400200,1500004c00f001,024840020400010000000000000000000001000000180000000000000000000000000640c02a05,0000000000221120020472068bc420c32d47cd771f,1,12,39,1,0,6,50,52,-12.241,-3.883,0,1.0,0.36017525200000006,+,0.7442,-,0.7442,https://www.genome.jp/dbget-bin/www_bget?dr:D01101
4362,D02626, Bromperidol decanoate (USAN), Butyrophenone derivatives,N05AD06,NERVOUS SYSTEM,C(CC[N@H+]1CC[C@](CC1)(c1ccc(cc1)Br)OC(=O)CCCCCCCCC)C(=O)c1ccc(cc1)F,575.572,8.3784,157.328,47.81,45,1,3,ZINCPWWBSRSXBH-UHFFFAOYSA-O,C31H42BrFNO3+,CCCCCCCCCC(=O)OC1(CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F)c1ccc(cc1)Br,"InChI=1S/C31H41BrFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3/p+1",-6.0192,-4.6325,-4.5545,-4.5474,-4.2589999999999995,-3.0243,1.5264,1.5432,1.6001,1.6105,1.6326,D02626_N05AD06,0026800a080002c00e800600000200000100001000001a0000200080010400001400500080000001200a021820010000010210000020c000801400020000a20008100c02000020000010a9001a8000040090015000003008c008080000091000000000200000000010400000100008000007010202011000008a000140400300,1500000030f005,030040020400010000009000000000000001000000180000000000000000000000000640c02a05,0000000000220120020472068bcc2ee7a943cff71f,1,12,67,2,0,16,79,81,-12.162,-3.6239999999999997,0,1.0,0.9935402870000001,+,2.6818,-,2.6818,https://www.genome.jp/dbget-bin/www_bget?dr:D02626
4363,D02627, Benperidol (USAN/INN), Butyrophenone derivatives,N05AD07,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[N@@H+]1CC[C@H](CC1)n1c2c([nH]c1=O)cccc2)F,382.45099999999996,3.9208,112.803,59.3,27,2,3,FEBOTPHFXYHVPL-UHFFFAOYSA-O,C22H25FN3O2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(CC1)n1c(=O)[nH]c2c1cccc2,"InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)/p+1",-5.9684,-4.6403,-4.6298,-4.6215,-4.603,-3.947,1.7347,1.8857,1.9358,1.959,1.9969999999999999,D02627_N05AD07,80268000000008c012804600000000000100001000000000000000c000000000140070000100802130020218000100c00102100000006000800000020000100004000c00c00030000010e40102900004009001500c80300de00908800009300400000020000000009040000040000c000006010202011000000c000102000200,1500000000f001,020040020400010000000000000000000041040000088d00000000000000000000004640c02a05,000000001002012001d476869a67b1c3bde3ed6f1f,1,16,38,2,0,6,53,56,-11.513,-4.024,0,1.0,0.006175976999999999,-,1.6605,-,1.6605,https://www.genome.jp/dbget-bin/www_bget?dr:D02627
4364,D00308, Droperidol (JP17/USP/INN), Butyrophenone derivatives,N05AD08,NERVOUS SYSTEM,n1(c2c([nH]c1=O)cccc2)C1=CC[N@@H+](CC1)CCCC(=O)c1ccc(cc1)F,380.435,3.8305,113.12100000000001,59.3,25,2,3,RMEDXOLNCUSCGS-UHFFFAOYSA-O,C22H23FN3O2+,Fc1ccc(cc1)C(=O)CCC[NH+]1CCC(=CC1)n1c(=O)[nH]c2c1cccc2,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)/p+1",-6.0434,-5.8589,-4.6743,-4.6027,-4.5548,-3.8896,1.7295,1.829,1.8482,1.9079,1.9499,D00308_N05AD08,80268082000008c41284460000000004010004d000004800000000c000000000140170000180802130020238000100c00122100002006100c00100020008102004002c00c40030000010e50102910004009009400c82300dec0918800009301400044020000018009041000040000c000006010202111002008c008912004200,1500000000f001,020040020400010000000000000000000041040000088d00000000000000000000004640c02a05,000000001012012001dc76869e67b1c3bde3ed6f1f,1,16,35,3,0,6,51,54,-11.724,-3.945,1,1.0,0.065645553,-,1.5011,-,1.5011,https://www.genome.jp/dbget-bin/www_bget?dr:D00308
4365,D02621, Fluanisone (INN), Butyrophenone derivatives,N05AD09,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)CCC[NH+]1CCN(CC1)c1ccccc1OC)F,357.44199999999995,3.8365,109.444,33.98,29,1,3,IRYFCWPNDIUQOW-UHFFFAOYSA-O,C21H26FN2O2+,COc1ccccc1N1CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F,"InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3/p+1",-6.0442,-4.5909,-4.5422,-4.5102,-3.033,-3.0319,1.5666,1.5728,1.7344,1.7345,1.8832,D02621_N05AD09,00068000000800800280060000820008810000100000002000000080000000001680500221000020000202380001104001021200000000088000000200000400084000004100200100302000028000040090014004003008c00a08000008100000000020000000021000000000100080000601062a0110200808000102400200,1500000050f021,020042020500010000000000000000000001000000080000000000000000000000000640c02a01,0000000000020120004472568a44a1e379e3edff1f,1,12,41,1,0,7,52,54,-11.84,-3.804,0,-1.0,0.059641887000000005,-,0.9091,-,0.9091,https://www.genome.jp/dbget-bin/www_bget?dr:D02621
4366,D01219, Oxypertine (JAN/USAN/INN), Indole derivatives,N05AE01,NERVOUS SYSTEM,C(C[NH+]1CCN(CC1)c1ccccc1)c1c2cc(c(cc2[nH]c1C)OC)OC,380.50300000000004,4.0753,122.765,41.93,33,2,3,XCWPUUGSGHNIDZ-UHFFFAOYSA-O,C23H30N3O2+,COc1cc2c(cc1OC)[nH]c(c2CC[NH+]1CCN(CC1)c1ccccc1)C,"InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3/p+1",-6.0261,-4.5564,-4.5298,-4.5107,-3.0321,-3.0303,1.5537,1.5623,1.5659999999999998,1.7318,1.7323,D01219_N05AE01,20062400000204000a0006000482000c8000000000001208000000800020040012004093214080200880203800001040000206000004200804000002000204000c8004024100020100a06000064800100080004004002008400a0900800040000800000000200c06000000002010040010060155280110200808000002400000,0100000050f021,030042020500000000000000000000000000000000008400000000000000000000004600c02200,0000000000000120814436969b49a9e355f3fdfd1f,0,16,45,0,0,6,58,61,-10.657,-3.653,0,0.0,0.09128742699999999,+,1.1602,-,1.1602,https://www.genome.jp/dbget-bin/www_bget?dr:D01219
4367,D08226, Molindone (INN), Indole derivatives,N05AE02,NERVOUS SYSTEM,c12c([nH]c(c1CC)C)CC[C@H](C2=O)C[NH+]1CCOCC1,277.382,2.1149,84.1649,46.53,27,2,2,KLPWJLBORRMFGK-LBPRGKRZSA-O,C16H25N2O2+,CCc1c(C)[nH]c2c1C(=O)C(CC2)C[NH+]1CCOCC1,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3/p+1/t12-/m0/s1",-5.9638,-4.5831,-4.5629,-4.5483,-3.946,-2.7372,1.5538,1.5739,1.5807,1.7169999999999999,2.6782,D08226_N05AE02,2006c020800200800a00860006020000811080100000000801000000003404001c005000004080334082001800017084010200001824200004000006008200100c010c0aa8100a00008820008280000c00988140048030009000080000095000050000200020001102800000a0030000100680d002011000005a80010a000100,1500000030f001,078040020400010000000000000000004003000000008400000000000000000000004640c03a05,0000000000000101010436c69b59aac30de3fdff1f,0,5,41,1,0,3,45,47,-11.255,-4.083,1,1.0,0.015834976,+,1.3278,-,1.3278,https://www.genome.jp/dbget-bin/www_bget?dr:D08226
4368,D00796, Molindone hydrochloride (USP), Indole derivatives,N05AE02,NERVOUS SYSTEM,c12c([nH]c(c1CC)C)CC[C@H](C2=O)C[NH+]1CCOCC1,277.382,2.1149,84.1649,46.53,27,2,2,KLPWJLBORRMFGK-LBPRGKRZSA-O,C16H25N2O2+,CCc1c(C)[nH]c2c1C(=O)C(CC2)C[NH+]1CCOCC1,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3/p+1/t12-/m0/s1",-5.9641,-4.5628,-4.5618,-4.5448,-3.9712,-2.7716,1.5524,1.5714,1.5826,1.7369,2.6746,D00796_N05AE02,2006c020800200800a00860006020000811080100000000801000000003404001c005000004080334082001800017084010200001824200004000006008200100c010c0aa8100a00008820008280000c00988140048030009000080000095000050000200020001102800000a0030000100680d002011000005a80010a000100,1500000030f001,078040020400010000000000000000004003000000008400000000000000000000004640c03a05,0000000000000101010436c69b59aac30de3fdff1f,0,5,41,1,0,3,45,47,-11.244000000000002,-4.081,1,0.0,0.015830288,+,1.3278,-,1.3278,https://www.genome.jp/dbget-bin/www_bget?dr:D00796
4369,D00561, Sertindole (USAN/INN), Indole derivatives,N05AE03,NERVOUS SYSTEM,c1(ccc2c(c1)c(cn2c1ccc(cc1)F)[C@H]1CC[N@@H+](CC1)CCN1C(=O)NCC1)Cl,441.949,5.0464,134.134,41.71,30,2,4,GZKLJWGUPQBVJQ-UHFFFAOYSA-O,C24H27ClFN4O+,Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CC[NH+](CC1)CCN1CCNC1=O,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)/p+1",-5.9614,-5.3166,-4.7502,-4.637,-4.6131,-4.6086,2.2768,2.3291,2.6064,2.9169,3.0615,D00561_N05AE03,20060200000204000b8006100000000c010800100000040800000080006004001c005083030880201885013800010040010220004005200000208082100000000400040840000000003840002ea8000a0088015004003008c0080a000008500008300020042000001000000000520400100e814600011800002a000102800000,0100000000f041,0600400204000000000000000000000000400400000c8800000000000000000000004600c02a04,000000001002012001547686da67b0c375636d2f1f,1,16,45,1,0,5,58,62,-11.082,-3.907,0,,0.506218195,-,2.379,-,2.379,https://www.genome.jp/dbget-bin/www_bget?dr:D00561
4370,D08687, Ziprasidone (INN), Indole derivatives,N05AE04,NERVOUS SYSTEM,c1(c2c(sn1)cccc2)N1CC[NH+](CC1)CCc1cc2c(cc1Cl)NC(=O)C2,413.944,4.1641,126.439,77.91,26,2,5,MVWVFYHBGMAFLY-UHFFFAOYSA-O,C21H22ClN4OS+,O=C1Nc2c(C1)cc(c(c2)Cl)CC[NH+]1CCN(CC1)c1nsc2c1cccc2,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/p+1",-6.0427,-4.5358,-4.5184,-4.4975,-3.8478,-3.22,1.5658,1.7285,1.7366,1.9318,2.5368,D08687_N05AE04,0006c32000200000032006201880000c8050800010000400040600840020000013004183212080208807203800041040004200010000200800000012000004000c001c004201024001a050007e900003209900c004012808c00a080090000000000101080000000c0000000001100c2000060145202511010208000012c00100,0500000000f021,02004002040000000000800020000001000000000004d000000000000000000000004600c02a00,00000080290001200554f7aeda65b0cb7de36d2f1f,0,16,37,1,0,4,50,54,-11.042,-3.815,0,0.0,0.412970513,+,1.6762,-,1.6762,https://www.genome.jp/dbget-bin/www_bget?dr:D08687
4371,D01939, Ziprasidone hydrochloride (USAN), Indole derivatives,N05AE04,NERVOUS SYSTEM,c1(c2c(sn1)cccc2)N1CC[NH+](CC1)CCc1cc2c(cc1Cl)NC(=O)C2,413.944,4.1641,126.439,77.91,26,2,5,MVWVFYHBGMAFLY-UHFFFAOYSA-O,C21H22ClN4OS+,O=C1Nc2c(C1)cc(c(c2)Cl)CC[NH+]1CCN(CC1)c1nsc2c1cccc2,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/p+1",-6.0418,-4.5573,-4.5254,-4.5048,-3.8435,-3.2204,1.5659999999999998,1.7349,1.7394,1.9322,2.5371,D01939_N05AE04,0006c32000200000032006201880000c8050800010000400040600840020000013004183212080208807203800041040004200010000200800000012000004000c001c004201024001a050007e900003209900c004012808c00a080090000000000101080000000c0000000001100c2000060145202511010208000012c00100,0500000000f021,02004002040000000000800020000001000000000004d000000000000000000000004600c02a00,00000080290001200554f7aeda65b0cb7de36d2f1f,0,16,37,1,0,4,50,54,-11.040999999999999,-3.8160000000000003,0,1.0,0.412855983,+,1.6762,-,1.6762,https://www.genome.jp/dbget-bin/www_bget?dr:D01939
4372,D02100, Ziprasidone mesylate (USAN), Indole derivatives,N05AE04,NERVOUS SYSTEM,N1(CC[NH+](CC1)CCc1c(cc2c(c1)CC(=O)N2)Cl)c1nsc2c1cccc2,413.944,4.1641,126.439,77.91,26,2,5,MVWVFYHBGMAFLY-UHFFFAOYSA-O,C21H22ClN4OS+,O=C1Nc2c(C1)cc(c(c2)Cl)CC[NH+]1CCN(CC1)c1nsc2c1cccc2,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/p+1",-6.0441,-4.5644,-4.5294,-4.5017,-3.8258,-3.2253,1.7309999999999999,1.7353,1.7758,1.9307,2.5392,D02100_N05AE04,0006c32000200000032006201880000c8050800010000400040600840020000013004183212080208807203800041040004200010000200800000012000004000c001c004201024001a050007e900003209900c004012808c00a080090000000000101080000000c0000000001100c2000060145202511010208000012c00100,0500000000f021,02004002040000000000800020000001000000000004d000000000000000000000004600c02a00,00000080290001200554f7aeda65b0cb7de36d2f1f,0,16,37,1,0,4,50,54,-11.026,-3.822,0,1.0,0.404043734,+,1.6893,-,1.6893,https://www.genome.jp/dbget-bin/www_bget?dr:D02100
4373,D04820, Lurasidone hydrochloride (JAN/USAN), Indole derivatives,N05AE05,NERVOUS SYSTEM,[C@H]1(CCCC[C@H]1C[NH+]1CCN(CC1)c1c2c(sn1)cccc2)CN1C(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C1=O)C3,493.684,4.4108,152.51,86.19,42,1,6,PQXKDMSYBGKCJA-GGYSQDOYSA-O,C28H37N4O2S+,O=C1N(CC2CCCCC2C[NH+]2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1,"InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/p+1/t18-,19+,20-,21-,24-,25+/m0/s1",-6.0429,-4.5637,-4.5286,-4.5046,-3.8444,-3.8125,1.7355,1.7373,1.8346,2.0465,2.5387,D04820_N05AE05,0026c10000000200012006211a800008800000100000000004040004002000001a005102210080209807043800001240010200010020200a00000010000004000400140042000000002040005e900006209803c004012000c00a00001000200000010128000000041000000000000c0000060004202410010210000112c00300,0500000000f021,06004002040000000000800040000001000000000000d000000000000000000000004600c02a05,00000080290001200554b7af9a61b0cbd1636d6f1f,0,10,66,2,0,5,72,78,-11.148,-3.4960000000000004,6,,0.7851399179999999,-,4.1771,-,4.1771,https://www.genome.jp/dbget-bin/www_bget?dr:D04820
4374,D01044, Flupentixol (INN), Thioxanthene derivatives,N05AF01,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C\CC[N@@H+]1CC[N@@H+](CC1)CCO)/c1c(S2)ccc(c1)C(F)(F)F,436.533,4.9059,123.196,54.41,29,3,2,NJMYODHXAKYRHW-DVZOWYKESA-P,C23H27F3N2OS++,OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/p+2/b18-5-",-6.0085,-5.9852,-4.5565,-4.5536,-4.5466,-4.5297,1.5921,1.6601,2.355,2.3561,3.2531,D01044_N05AF01,2006010000001084020c270080424008001000d000204000000000a400200001190040022180800200002038000000800002000000002000440000020014001408000800020010000120010102000008028200600004200858081800800000000244000180040880200010088120060000061104000312000012810800000000,0100001c00f101,121950020400000000000000000000000000000000000000000000000000000000004640e02204,0000000008022304004cb3449ed7a0832da74d351f,3,12,47,1,0,6,57,60,-12.402000000000001,-8.343,0,,0.000113176,-,1.493,-,1.493,https://www.genome.jp/dbget-bin/www_bget?dr:D01044
4375,D02236, Flupentixol dihydrochloride (JAN), Thioxanthene derivatives,N05AF01,NERVOUS SYSTEM,c12c(Sc3c(/C/1=C/CC[N@@H+]1CC[N@@H+](CC1)CCO)cc(cc3)C(F)(F)F)cccc2,436.533,4.9059,123.196,54.41,29,3,2,NJMYODHXAKYRHW-DVZOWYKESA-P,C23H27F3N2OS++,OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/p+2/b18-5-",-6.024,-5.9964,-4.5668,-4.5667,-4.5364,-4.5334,1.5869,1.7794,2.3523,2.3608,3.1217,D02236_N05AF01,2006010000001084020c270080424008001000d000204000000000a400200001190040022180800200002038000000800002000000002000440000020014001408000800020010000120010102000008028200600004200858081800800000000244000180040880200010088120060000061104000312000012810800000000,0100001c00f101,121950020400000000000000000000000000000000000000000000000000000000004640e02204,0000000008022304004cb3449ed7a0832da74d351f,3,12,47,1,0,6,57,60,-12.402999999999999,-8.345,0,1.0,0.00011331899999999999,-,1.493,-,1.493,https://www.genome.jp/dbget-bin/www_bget?dr:D02236
4376,D07976, Flupentixol decanoate, Thioxanthene derivatives,N05AF01,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C\CC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)CCCCCCCCC)/c1c(S2)ccc(c1)C(F)(F)F,590.783,8.5975,171.389,60.48,48,2,3,UIKWDDSLMBHIFT-WKIKZPBSSA-P,C33H45F3N2O2S++,CCCCCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,"InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/p+2/b27-13-",-6.004,-5.9968,-4.553999999999999,-4.5533,-4.5482,-4.537,1.5976,2.0148,2.0529,2.3503,2.3522,D07976_N05AF01,2006010000001284020c270080424008011000d000204000000000a4002400111900400221808013000a20382000008001020000002060004400000200148614081008000a101000012081010a80000c0292006000042008580818008000000002440001800408802000100881200e0000071184000312000012810900000100,0500000030f105,130150020400000000009000000000000000000000000000000000000000000000004640e02a05,0000000008022304004cb3449edfaea72da34df71f,3,12,75,2,0,16,86,89,-12.380999999999998,-8.346,0,0.0,0.006192348,-,3.4395,-,3.4395,https://www.genome.jp/dbget-bin/www_bget?dr:D07976
4377,D02613, Clopenthixol (USAN), Thioxanthene derivatives,N05AF02,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[N@@H+]1CC[N@@H+](CC1)CCO)/c1c(S2)ccc(c1)Cl,402.981,4.5405,123.204,54.41,29,3,2,WFPIAZLQTJBIFN-DVZOWYKESA-P,C22H27ClN2OS++,OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/p+2/b18-5-",-6.0282,-6.007000000000001,-4.5646,-4.5518,-4.5187,-4.5184,1.5814,1.7738,2.3466,2.364,3.1188,D02613_N05AF02,2006030000000004020f0700800240080010004000204010000000a40020000119004002218080020001003800000080000200000000200044000002001400140800080002001080012000000600000a00880060000420084c081800800000000244000180000884200010088020060000061104000312000002800c00800000,0100001c00f101,121850020400000000000000000000000000000000040000000000000000000000004640c02204,0000000008002304004cf344de55a0832da74d351f,0,12,44,1,0,5,54,57,-12.217,-8.381,0,,9.233989999999999e-05,-,1.0716,-,1.0716,https://www.genome.jp/dbget-bin/www_bget?dr:D02613
4378,D00790, Chlorprothixene (JAN/USAN/INN), Thioxanthene derivatives,N05AF03,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[NH+](C)C)/c1c(S2)ccc(c1)Cl,316.868,3.7709,93.5347,29.74,20,1,1,WSPOMRSOLSGNFJ-AUWJEWJLSA-O,C18H19ClNS+,C[NH+](CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/p+1/b14-7-",-6.0335,-4.618,-4.591,-4.5569,-0.8139,-0.7409,1.4338,1.4558,1.4668,1.5727,1.5804,D00790_N05AF03,2006030000000004020f0700800240000010004000204010000000a40020000119004000008080000001001800000080000000000000200044000002001400040000000002000080010000000400000a008800600004200844081800800000000244000180000884200010080020060000061100000312000002800c00800000,0100000000f101,120050020400000000000000000000000000000000040000000000000000000000004640c02200,0000000008000304000af310de452c0220815da517,0,12,29,1,0,3,40,42,-10.873,-4.003,0,-1.0,0.23701794399999998,-,0.5003,-,0.5003,https://www.genome.jp/dbget-bin/www_bget?dr:D00790
4379,D02162, Chlorprothixene hydrochloride (JAN), Thioxanthene derivatives,N05AF03,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[NH+](C)C)/c1c(S2)ccc(c1)Cl,316.868,3.7709,93.5347,29.74,20,1,1,WSPOMRSOLSGNFJ-AUWJEWJLSA-O,C18H19ClNS+,C[NH+](CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/p+1/b14-7-",-6.0329,-4.617,-4.6025,-4.5658,-0.8177,-0.7453,1.4356,1.4582,1.4676,1.5675,1.5842,D02162_N05AF03,2006030000000004020f0700800240000010004000204010000000a40020000119004000008080000001001800000080000000000000200044000002001400040000000002000080010000000400000a008800600004200844081800800000000244000180000884200010080020060000061100000312000002800c00800000,0100000000f101,120050020400000000000000000000000000000000040000000000000000000000004640c02200,0000000008000304000af310de452c0220815da517,0,12,29,1,0,3,40,42,-10.872,-4.002,0,1.0,0.237015367,-,0.5003,-,0.5003,https://www.genome.jp/dbget-bin/www_bget?dr:D02162
4380,D07686, Chlorprothixene acetate, Thioxanthene derivatives,N05AF03,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[NH+](C)C)/c1c(S2)ccc(c1)Cl,316.868,3.7709,93.5347,29.74,20,1,1,WSPOMRSOLSGNFJ-AUWJEWJLSA-O,C18H19ClNS+,C[NH+](CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/p+1/b14-7-",-6.0323,-4.6156,-4.6026,-4.5608,-0.8226,-0.7432,1.4288,1.4536,1.4731,1.5735,1.5847,D07686_N05AF03,2006030000000004020f0700800240000010004000204010000000a40020000119004000008080000001001800000080000000000000200044000002001400040000000002000080010000000400000a008800600004200844081800800000000244000180000884200010080020060000061100000312000002800c00800000,0100000000f101,120050020400000000000000000000000000000000040000000000000000000000004640c02200,0000000008000304000af310de452c0220815da517,0,12,29,1,0,3,40,42,-10.875,-4.002,0,-1.0,0.237049013,-,0.5003,-,0.5003,https://www.genome.jp/dbget-bin/www_bget?dr:D07686
4381,D07687, Chlorprothixene citrate, Thioxanthene derivatives,N05AF03,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[NH+](C)C)/c1c(S2)ccc(c1)Cl,316.868,3.7709,93.5347,29.74,20,1,1,WSPOMRSOLSGNFJ-AUWJEWJLSA-O,C18H19ClNS+,C[NH+](CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)C,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/p+1/b14-7-",-6.0225,-4.628,-4.6046,-4.5863,-0.7909,-0.7465,1.4435,1.466,1.4705,1.5746,1.5823,D07687_N05AF03,2006030000000004020f0700800240000010004000204010000000a40020000119004000008080000001001800000080000000000000200044000002001400040000000002000080010000000400000a008800600004200844081800800000000244000180000884200010080020060000061100000312000002800c00800000,0100000000f101,120050020400000000000000000000000000000000040000000000000000000000004640c02200,0000000008000304000af310de452c0220815da517,0,12,29,1,0,3,40,42,-10.874,-4.001,0,1.0,0.23668663199999998,-,0.5003,-,0.5003,https://www.genome.jp/dbget-bin/www_bget?dr:D07687
4382,D00374, Thiothixene (USP), Thioxanthene derivatives,N05AF04,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C\CC[N@@H+]1CC[N@@H+](CC1)C)/c1c(S2)ccc(c1)S(=O)(=O)N(C)C,445.64099999999996,4.8557,133.02200000000002,79.94,35,2,4,GFBKORZTTCHDGY-UWVJOHFNSA-P,C23H31N3O2S2++,C[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/p+2/b19-8-",-10.4235,-9.4114,-9.2779,-6.0132,-5.9975,-4.5692,2.4096,2.7467,2.7817,3.0855,3.1036,D00374_N05AF04,6006011000000004020c0720800640080c10004000204000000000a4002000011900400a218080000000003800000080006200000080600044000002003400040001000082002080012300000200000800c000600024600848081800800080040244000180000c8020001108082106000006b104002312010002c00810000000,0100000000f101,120050020400000000000000000000000000000000000000000024000000000000004640c02204,000000800900679e044fb334bec3bc8b87b35ded1f,0,12,49,3,0,5,61,64,-12.387,-8.352,0,0.0,3.83841e-05,-,1.5006,-,1.5006,https://www.genome.jp/dbget-bin/www_bget?dr:D00374
4383,D02612, Thiothixene hydrochloride (USP), Thioxanthene derivatives,N05AF04,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C\CC[N@@H+]1CC[N@@H+](CC1)C)/c1c(S2)ccc(c1)S(=O)(=O)N(C)C,445.64099999999996,4.8557,133.02200000000002,79.94,35,2,4,GFBKORZTTCHDGY-UWVJOHFNSA-P,C23H31N3O2S2++,C[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/p+2/b19-8-",-10.4366,-9.4153,-9.2826,-6.0195,-6.0089999999999995,-4.5718,2.4111,2.7471,2.7681,3.0851,3.109,D02612_N05AF04,6006011000000004020c0720800640080c10004000204000000000a4002000011900400a218080000000003800000080006200000080600044000002003400040001000082002080012300000200000800c000600024600848081800800080040244000180000c8020001108082106000006b104002312010002c00810000000,0100000000f101,120050020400000000000000000000000000000000000000000024000000000000004640c02204,000000800900679e044fb334bec3bc8b87b35ded1f,0,12,49,3,0,5,61,64,-12.39,-8.354,0,,3.83967e-05,-,1.5006,-,1.5006,https://www.genome.jp/dbget-bin/www_bget?dr:D02612
4384,D03556, Zuclopenthixol (INN), Thioxanthene derivatives,N05AF05,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[N@@H+]1CC[N@@H+](CC1)CCO)/c1c(S2)ccc(c1)Cl,402.981,4.5405,123.204,54.41,29,3,2,WFPIAZLQTJBIFN-DVZOWYKESA-P,C22H27ClN2OS++,OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/p+2/b18-5-",-6.025,-6.007000000000001,-4.5672,-4.5467,-4.5361,-4.5243,1.5839,1.7795,2.3492,2.3614,3.1098,D03556_N05AF05,2006030000000004020f0700800240080010004000204010000000a40020000119004002218080020001003800000080000200000000200044000002001400140800080002001080012000000600000a00880060000420084c081800800000000244000180000884200010088020060000061104000312000002800c00800000,0100001c00f101,121850020400000000000000000000000000000000040000000000000000000000004640c02204,0000000008002304004cf344de55a0832da74d351f,0,12,44,1,0,5,54,57,-12.217,-8.381,0,,0.00010034200000000001,-,1.0716,-,1.0716,https://www.genome.jp/dbget-bin/www_bget?dr:D03556
4385,D08691, Zuclopenthixol acetate, Thioxanthene derivatives,N05AF05,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)C)/c1c(S2)ccc(c1)Cl,445.017,5.1113,132.941,60.48,32,2,3,OXAUOBQMCDIVPQ-IOXNKQMXSA-P,C24H29ClN2O2S++,CC(=O)OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/p+2/b20-6-",-6.0122,-5.9939,-4.5684,-4.5619,-4.559,-4.5449,1.5956,1.986,2.1711,2.3457,2.3745,D08691_N05AF05,2006030000000004020f0700800240080110004000204010000000a4002400011900400221808012000b00380000008000020000000020004400000200140614080008000a101080012000000680000a00880060000420084c081800800000000244000180000884200010088020060000061184000312000002800c00800000,0500000030f105,130050020400000000009000000000000000000000040000000000000000000000004640c02a05,0000000008002304004cf344de5da8a72da34df71f,0,12,48,2,0,7,59,62,-12.210999999999999,-8.391,0,1.0,0.000279463,-,1.2273,-,1.2273,https://www.genome.jp/dbget-bin/www_bget?dr:D08691
4386,D08692, Zuclopenthixol decanoate, Thioxanthene derivatives,N05AF05,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[N@@H+]1CC[N@@H+](CC1)CCOC(=O)CCCCCCCCC)/c1c(S2)ccc(c1)Cl,557.23,8.2321,171.39700000000002,60.48,48,2,3,QRUAPADZILXULG-WKIKZPBSSA-P,C32H45ClN2O2S++,CCCCCCCCCC(=O)OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/p+2/b27-13-",-6.0108,-6.0029,-4.5726,-4.5724,-4.5427,-4.5412,1.6006,1.6089,1.6986,2.3397,2.3559,D08692_N05AF05,2006030000000204020f0700800240080110004000204010000000a4002400111900400221808013000b00382000008001020000002060004400000200148614081008000a101080012080000e80000e00980060000420084c0818008000000002440001800008842000100880200e0000071184000312000002800d00800100,0500000030f105,130050020400000000009000000000000000000000040000000000000000000000004640c02a05,0000000008002304004cf344de5daea72da34df71f,0,12,72,2,0,15,83,86,-12.193,-8.384,0,-1.0,0.004994745,-,2.8451,-,2.8451,https://www.genome.jp/dbget-bin/www_bget?dr:D08692
4387,D08693, Zuclopenthixol dihydrochloride, Thioxanthene derivatives,N05AF05,NERVOUS SYSTEM,c1ccc2c(c1)/C(=C/CC[N@@H+]1CC[N@@H+](CC1)CCO)/c1c(S2)ccc(c1)Cl,402.981,4.5405,123.204,54.41,29,3,2,WFPIAZLQTJBIFN-DVZOWYKESA-P,C22H27ClN2OS++,OCC[NH+]1CC[NH+](CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/p+2/b18-5-",-6.0095,-5.9705,-4.5478,-4.5469,-4.5445,-4.5421,1.6033,1.7046,2.351,2.356,3.3867,D08693_N05AF05,2006030000000004020f0700800240080010004000204010000000a40020000119004002218080020001003800000080000200000000200044000002001400140800080002001080012000000600000a00880060000420084c081800800000000244000180000884200010088020060000061104000312000002800c00800000,0100001c00f101,121850020400000000000000000000000000000000040000000000000000000000004640c02204,0000000008002304004cf344de55a0832da74d351f,0,12,44,1,0,5,54,57,-12.218,-8.382,0,-1.0,9.99617e-05,-,1.0716,-,1.0716,https://www.genome.jp/dbget-bin/www_bget?dr:D08693
4388,D02629, Fluspirilene (USAN/INN), Diphenylbutylpiperidine derivatives,N05AG01,NERVOUS SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)CCC[N@@H+]1CC[C@@]2(CC1)N(CNC2=O)c1ccccc1)F,476.58099999999996,5.8513,146.237,36.78,35,2,3,QOYHHIBFXOOADH-UHFFFAOYSA-O,C29H32F2N3O+,Fc1ccc(cc1)C(c1ccc(cc1)F)CCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)/p+1",-6.0343,-5.4458,-4.9317,-4.5867,-4.5715,-4.5489,1.9453,2.3203,2.3495,2.5962,3.1245,D02629_N05AG01,006680000050180013800600808000088100005000000000800000a00000110012005000000002200006013800011060010a10000000000880204002000004000000000040000200003020000290000400b0035004003008e00b08000008300001200021040000001000000000000020000e0102220110000004000106400200,0500000000f021,060040020400000003008000200000000000000000080000000000000000000000002600c02a04,000000080002012002d476ce8be5b0c375634d2f1f,2,18,52,1,0,7,67,71,-11.788,-3.589,0,0.0,0.872777164,-,2.464,-,2.464,https://www.genome.jp/dbget-bin/www_bget?dr:D02629
4389,D00560, Pimozide (JP17/USP/INN), Diphenylbutylpiperidine derivatives,N05AG02,NERVOUS SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)CCC[N@@H+]1CC[C@H](CC1)n1c(=O)[nH]c2c1cccc2)F,462.55400000000003,6.0091,136.826,42.23,31,2,2,YVUQSNJEYSNKRX-UHFFFAOYSA-O,C28H30F2N3O+,Fc1ccc(cc1)C(c1ccc(cc1)F)CCC[NH+]1CCC(CC1)n1c(=O)[nH]c2c1cccc2,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)/p+1",-6.0347,-4.6689,-4.6024,-4.5825,-4.5502,-3.8906,1.6612,1.6633,1.6659,1.7225,1.9282,D00560_N05AG02,802600000000084012804600800000000100005000000000000000e000000000100070000100802130000018000100c00102100000006000800000020000100004000c00c00030000010e40102900000008001500c80300de00908800009300400000021000000009040000040000c0000060102020110000004000102000000,0100000000f001,060040020400000000000000000000000040040000088d00000000000000000000004640c02a04,000000001002012001d476869a67b1c335e36d2f1f,2,22,45,1,0,7,64,68,-11.5,-3.8989999999999996,0,1.0,0.88166523,-,2.2919,-,2.2919,https://www.genome.jp/dbget-bin/www_bget?dr:D00560
4390,D02630, Penfluridol (USAN/INN), Diphenylbutylpiperidine derivatives,N05AG03,NERVOUS SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)CCC[N@@H+]1CC[C@@](CC1)(c1cc(c(cc1)Cl)C(F)(F)F)O)F,524.9730000000001,7.6848,135.471,24.67,29,2,1,MDLAAYDRRZXJIF-UHFFFAOYSA-O,C28H28ClF5NO+,Fc1ccc(cc1)C(c1ccc(cc1)F)CCC[NH+]1CCC(CC1)(O)c1ccc(c(c1)C(F)(F)F)Cl,"InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2/p+1",-6.0328,-4.591,-4.5776,-4.5735,-4.1913,-4.1896,1.4509,1.4703,1.5871,1.5919,1.5931,D02630_N05AG03,00260200000010400a80060080000000010000d000000400000200a001200000100050008000000120010018002100000102104000008000800000020000000008000c000000000000102001a60000020288015000003008d0080800000910000000002100040000104000000100000000060102020110000002050100800000,0100004c00f001,0649400204000000000000000000000000000000000c0000000000000000000000000600e02204,000000000002112002047206cbc620c32dc7ed351f,5,18,49,0,0,8,64,67,-11.838,-3.8369999999999997,0,,0.990544856,-,2.4069,-,2.4069,https://www.genome.jp/dbget-bin/www_bget?dr:D02630
4391,D02340, Loxapine (USAN/INN)," Diazepines, oxazepines and thiazepines",N05AH01,NERVOUS SYSTEM,C1(=[NH]c2c(Oc3c1cc(cc3)Cl)cccc2)N1CC[N@@H+](CC1)C,329.824,3.5112,106.016,40.76,23,2,2,CBEIUCIIIBKIQO-UHFFFAOYSA-O,C18H20ClN3O+,Clc1ccc2c(c1)C(=[NH]c1c(O2)cccc1)N1CC[NH+](CC1)C,"InChI=1S/C18H19ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12,20H,8-11H2,1H3/p+1",-6.438,-6.0218,-5.1524,-4.5888,-4.5608,-4.5598,2.0417,2.2917,2.2934,2.323,3.3285,D02340_N05AH01,000202000004064460048600380308080008218000041040000000c800200800000040022002002300810028000140410000020000a000010004020a0008030288601800c104008108a000400608000230880044040020184b081100040500000014400214c0001600010000003040800006010c080100202800040846800000,0100000090f021,000044120400000000008000000000000000000000040000000000000000000000004640c02204,000004002000012100747256db45ed8375a3cdb91f,0,12,33,1,0,1,43,46,-15.338,-8.325,0,0.0,4.01073e-07,+,0.7979,-,0.7979,https://www.genome.jp/dbget-bin/www_bget?dr:D02340
4392,D00794, Loxapine succinate (USP)," Diazepines, oxazepines and thiazepines",N05AH01,NERVOUS SYSTEM,C1(=[NH]c2c(Oc3c1cc(cc3)Cl)cccc2)N1CC[N@@H+](CC1)C,329.824,3.5112,106.016,40.76,23,2,2,CBEIUCIIIBKIQO-UHFFFAOYSA-O,C18H20ClN3O+,Clc1ccc2c(c1)C(=[NH]c1c(O2)cccc1)N1CC[NH+](CC1)C,"InChI=1S/C18H19ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12,20H,8-11H2,1H3/p+1",-6.438,-6.0218,-5.1524,-4.5888,-4.5608,-4.5598,2.0417,2.2917,2.2934,2.323,3.3285,D00794_N05AH01,000202000004064460048600380308080008218000041040000000c800200800000040022002002300810028000140410000020000a000010004020a0008030288601800c104008108a000400608000230880044040020184b081100040500000014400214c0001600010000003040800006010c080100202800040846800000,0100000090f021,000044120400000000008000000000000000000000040000000000000000000000004640c02204,000004002000012100747256db45ed8375a3cdb91f,0,12,33,1,0,1,43,46,-15.337,-8.322000000000001,0,1.0,4.02039e-07,+,0.7979,-,0.7979,https://www.genome.jp/dbget-bin/www_bget?dr:D00794
4393,D08148, Loxapine hydrochloride," Diazepines, oxazepines and thiazepines",N05AH01,NERVOUS SYSTEM,C1(=[NH]c2c(Oc3c1cc(cc3)Cl)cccc2)N1CC[N@@H+](CC1)C,329.824,3.5112,106.016,40.76,23,2,2,CBEIUCIIIBKIQO-UHFFFAOYSA-O,C18H20ClN3O+,Clc1ccc2c(c1)C(=[NH]c1c(O2)cccc1)N1CC[NH+](CC1)C,"InChI=1S/C18H19ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12,20H,8-11H2,1H3/p+1",-6.438,-6.0218,-5.1524,-4.5888,-4.5608,-4.5598,2.0417,2.2917,2.2934,2.323,3.3285,D08148_N05AH01,000202000004064460048600380308080008218000041040000000c800200800000040022002002300810028000140410000020000a000010004020a0008030288601800c104008108a000400608000230880044040020184b081100040500000014400214c0001600010000003040800006010c080100202800040846800000,0100000090f021,000044120400000000008000000000000000000000040000000000000000000000004640c02204,000004002000012100747256db45ed8375a3cdb91f,0,12,33,1,0,1,43,46,-15.338,-8.321,0,1.0,3.9768700000000003e-07,+,0.7979,-,0.7979,https://www.genome.jp/dbget-bin/www_bget?dr:D08148
4394,D00283, Clozapine (JAN/USP/INN)," Diazepines, oxazepines and thiazepines",N05AH02,NERVOUS SYSTEM,C1(=[NH]c2c(Nc3c1cccc3)ccc(c2)Cl)N1CC[N@@H+](CC1)C,328.839,3.6005,111.979,43.56,24,3,1,PQELGCXWLNPMPT-UHFFFAOYSA-O,C18H21ClN4+,C[NH+]1CCN(CC1)C1=[NH]c2cc(Cl)ccc2Nc2c1cccc2,"InChI=1S/C18H20ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20-21H,8-11H2,1H3/p+1",-6.4277,-6.0235,-5.1611,-4.5914,-4.5589,-4.5566,2.0439,2.2926,2.2935,2.3387,3.3373,D00283_N05AH02,00020242010004400000a600188108088018019100040842000100c800200800000040022000002300810028000000400000801002000009024000130808050480001818c004060409a000c006080002308c00440400201043c8010000250000401000021000001800001080010000000006010c000110000000040046820000,0100000000f021,000040120400000000008000000000000000000000040000000000000000000000004640c02204,000004002000312000f47216da45ec8375a34da917,0,12,34,1,0,1,44,47,-14.454,-8.189,0,,4.86115e-07,+,0.8978,-,0.8978,https://www.genome.jp/dbget-bin/www_bget?dr:D00283
4395,D00454, Olanzapine (JAN/USAN/INN)," Diazepines, oxazepines and thiazepines",N05AH03,NERVOUS SYSTEM,C1(=[NH]c2c(Nc3c1cc(s3)C)cccc2)N1CC[N@@H+](CC1)C,314.448,3.3169999999999997,109.81200000000001,71.8,25,3,2,VSLDQPYUSVTJQT-UHFFFAOYSA-O,C17H22N4S+,C[NH+]1CCN(CC1)C1=[NH]c2ccccc2Nc2c1cc(s2)C,"InChI=1S/C17H21N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18-19H,7-10H2,1-2H3/p+1",-6.9465,-6.0224,-5.5675,-4.5904,-4.553,-4.5426,2.215,2.2869,2.3011,2.5313,3.3339999999999996,D00454_N05AH03,0102e140010000200000ae0018811808841c01910004004a0001004c008008020000400220011027809000680000004081908030020000091a4000130988050888001818c034060409a000c01a000000b0840444040220104308010000660000501000109001081000001080030010000006000c040910020028044246020100,0100000000f021,01004012040000000000800000000000000000000000c000000000000000000000004640c02204,000004002840312000f4b7969a41ec8355a35da917,0,11,35,1,0,1,44,47,-14.047,-7.606,0,0.0,4.3998300000000003e-07,+,1.3256,-,1.3256,https://www.genome.jp/dbget-bin/www_bget?dr:D00454
4396,D06623, Olanzapine pamoate (USAN)," Diazepines, oxazepines and thiazepines",N05AH03,NERVOUS SYSTEM,c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.3956,-4.3895,-4.2891,-4.2566,-2.3993,-2.0358,1.7514,2.0063,2.2872,2.3509,2.3648,D06623_N05AH03,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.512,4.379,0,1.0,5.9583500000000005e-08,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D06623
4397,D08456, Quetiapine (INN)," Diazepines, oxazepines and thiazepines",N05AH04,NERVOUS SYSTEM,c12[NH]=C(c3c(Sc1cccc2)cccc3)N1CC[N@@H+](CC1)CCOCCO,385.523,2.5958,121.723,86.29,32,3,4,XRBVPWVJRYVJTL-UHFFFAOYSA-O,C21H27N3O2S+,OCCOCC[NH+]1CCN(CC1)C1=[NH]c2ccccc2Sc2c1cccc2,"InChI=1S/C21H26N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,22,25H,9-16H2/p+1",-6.4381,-6.0363,-5.1538,-4.5312,-4.5009,-4.476,2.2924,2.303,2.3389,2.5672,3.3581,D08456_N05AH04,200201000000044000008601180308082108008810040040000000d8006408000980480a220080370080002a000000c00000000000002001040000021018011488001900c814100008a000400208001230880064240020104308010000050002005000021000001020002000870004000006118c000902000032840046000000,0100001c30f121,009850120400000000008000000000000000000000000000000000000000000000004640c02204,00000400280001248074b3469a51e0a35da74d7d1f,0,12,44,1,0,6,54,57,-14.122,-8.072000000000001,0,1.0,4.63709e-06,-,1.2207,-,1.2207,https://www.genome.jp/dbget-bin/www_bget?dr:D08456
4398,D00458, Quetiapine fumarate (JP17/USAN)," Diazepines, oxazepines and thiazepines",N05AH04,NERVOUS SYSTEM,c12[NH]=C(c3c(Sc1cccc2)cccc3)N1CC[N@@H+](CC1)CCOCCO,385.523,2.5958,121.723,86.29,32,3,4,XRBVPWVJRYVJTL-UHFFFAOYSA-O,C21H27N3O2S+,OCCOCC[NH+]1CCN(CC1)C1=[NH]c2ccccc2Sc2c1cccc2,"InChI=1S/C21H26N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,22,25H,9-16H2/p+1",-6.4462,-6.0338,-5.1766,-4.5355,-4.5138,-4.4773,2.2904,2.3079,2.3364,2.571,3.3509,D00458_N05AH04,200201000000044000008601180308082108008810040040000000d8006408000980480a220080370080002a000000c00000000000002001040000021018011488001900c814100008a000400208001230880064240020104308010000050002005000021000001020002000870004000006118c000902000032840046000000,0100001c30f121,009850120400000000008000000000000000000000000000000000000000000000004640c02204,00000400280001248074b3469a51e0a35da74d7d1f,0,12,44,1,0,6,54,57,-14.124,-8.073,0,,4.63962e-06,-,1.2207,-,1.2207,https://www.genome.jp/dbget-bin/www_bget?dr:D00458
4399,D02995, Asenapine maleate (JAN/USAN)," Diazepines, oxazepines and thiazepines",N05AH05,NERVOUS SYSTEM,c12[C@H]3[C@H](c4c(Oc1ccc(c2)Cl)cccc4)C[N@H+](C3)C,286.776,4.4106,85.8667,13.67,18,1,1,VSWBSWWIRNCQIJ-GJZGRUSLSA-O,C17H17ClNO+,Clc1ccc2c(c1)C1C[NH+](CC1c1c(O2)cccc1)C,"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/p+1/t14-,15-/m0/s1",-6.0359,-4.6723,-4.5801,-4.5639,-0.8326,-0.8164,1.4123,1.4212,1.5108,1.5842,1.5983,D02995_N05AH05,00270200000402000a800600000300040000201000001000000000c00020000010044c81000000000001301800014000010202000020000000040002000000d008200400010000810000000006000002c088004000003408c0080a00840800000002000000000006100000000010000000860100080110200802000400800000,0100000090f001,040044020400000000000000000000000000000000040000000000000000000000004600c00204,000004000000010100047694580585032183c9b11f,0,12,28,0,0,0,37,40,-12.23,-4.006,3,,0.027759423999999998,+,0.762,-,0.762,https://www.genome.jp/dbget-bin/www_bget?dr:D02995
4400,D01597, Clothiapine (USAN)," Diazepines, oxazepines and thiazepines",N05AH06,NERVOUS SYSTEM,C1(=[NH]c2c(Sc3c1cc(cc3)Cl)cccc2)N1CC[N@@H+](CC1)C,345.89,3.8701,110.065,56.83,23,2,2,YRBUGPIWEYHVSH-UHFFFAOYSA-O,C18H20ClN3S+,Clc1ccc2c(c1)C(=[NH]c1c(S2)cccc1)N1CC[NH+](CC1)C,"InChI=1S/C18H19ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12,20H,8-11H2,1H3/p+1",-6.4442,-6.0226,-5.1522,-4.5886,-4.5588,-4.5561,2.0388,2.291,2.2931,2.3354,3.3359,D01597_N05AH06,200203000000044000048601180308080008008810040050000000d80060080009804802220080230081002a000000c00000000000002001040000021018010680001800c004008008a000400608001230880064240020104b08010000050002005000021000001420002008070004000006110c000902000032840846800000,0100000000f121,000050120400000000008000000000000000000000040000000000000000000000004640c02204,00000400280001240074f316da45ec8375a34da917,0,12,33,1,0,1,43,46,-14.277000000000001,-8.382,0,,2.12736e-06,-,0.8752,-,0.8752,https://www.genome.jp/dbget-bin/www_bget?dr:D01597
4401,D01226, Sulpiride (JP17/USAN/INN), Benzamides,N05AL01,NERVOUS SYSTEM,S(=O)(=O)(N)c1ccc(c(c1)C(=O)NC[C@@H]1[N@H+](CC)CCC1)OC,342.434,2.8808,91.4263,111.31,30,3,6,BGRJTUBHPOOWDU-LLVKDONJSA-O,C15H24N3O4S+,COc1ccc(cc1C(=O)NCC1CCC[NH+]1CC)S(=O)(=O)N,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1/t11-/m1/s1",-12.1535,-9.4364,-9.3309,-6.0304,-5.7951,-5.784,2.596,2.6452,3.6556,3.6728,3.9132,D01226_N05AL01,20020140000004a401000620000300088800009000088000000000c0000000001c00500a01000000208606380000008001220200000801000000000200000000082100008104208101200000028800000080016000202008c008110000000001081400220000000210010300201100000006b104084110210978800110000000,0500000050f001,0300420204000000000080000a0000004001000000000000000024000000000000000640c02a04,000000800100659e1445bfbfa9ea3beb87ebfeff1f,0,6,39,3,0,7,47,48,-12.692,-4.041,2,,0.0052304840000000005,+,0.8883,-,0.8883,https://www.genome.jp/dbget-bin/www_bget?dr:D01226
4402,D08549, Sultopride (INN), Benzamides,N05AL02,NERVOUS SYSTEM,S(=O)(=O)(CC)c1ccc(c(c1)C(=O)NC[C@@H]1[N@H+](CC)CCC1)OC,355.472,3.3267,98.3329,85.29,32,2,5,UNRHXEPDKXPRTM-CYBMUJFWSA-O,C17H27N2O4S+,CC[NH+]1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC,"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/p+1/t13-/m1/s1",-7.7847,-7.7225,-6.0315,-4.6138,-4.5865,-4.5367,1.5995,1.7234,1.8132,2.4006,2.6071,D08549_N05AL02,20020140000004b401000600000300088000009000088000000000c0000000001d00500a21008000208606380000008001220200000401000000000200000004082000008104208100200400028800004080016001206008c0481100000000010814002200000002100103002011000000069104084112a0087a800500000000,0500000050f101,0300420204000000000080000a0000004001000000000000800000000000000000000640c02a05,000000000000659e0445b79fa9e83beb8ffbfeff1f,0,6,43,3,0,8,51,52,-12.8,-4.06,2,1.0,0.007012160999999999,+,0.5024,-,0.5024,https://www.genome.jp/dbget-bin/www_bget?dr:D08549
4403,D02208, Sultopride hydrochloride (JAN), Benzamides,N05AL02,NERVOUS SYSTEM,S(=O)(=O)(CC)c1ccc(c(c1)C(=O)NC[C@@H]1[N@H+](CC)CCC1)OC,355.472,3.3267,98.3329,85.29,32,2,5,UNRHXEPDKXPRTM-CYBMUJFWSA-O,C17H27N2O4S+,CC[NH+]1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC,"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/p+1/t13-/m1/s1",-7.8115,-7.7769,-6.0337,-4.6223,-4.5742,-4.5445,1.5968,1.61,1.8096,2.4176,2.6149,D02208_N05AL02,20020140000004b401000600000300088000009000088000000000c0000000001d00500a21008000208606380000008001220200000401000000000200000004082000008104208100200400028800004080016001206008c0481100000000010814002200000002100103002011000000069104084112a0087a800500000000,0500000050f101,0300420204000000000080000a0000004001000000000000800000000000000000000640c02a05,000000000000659e0445b79fa9e83beb8ffbfeff1f,0,6,43,3,0,8,51,52,-12.818,-4.061,2,2.0,0.007011061999999999,+,0.5024,-,0.5024,https://www.genome.jp/dbget-bin/www_bget?dr:D02208
4404,D08590, Tiapride (INN), Benzamides,N05AL03,NERVOUS SYSTEM,S(=O)(=O)(C)c1ccc(c(c1)C(=O)NCC[NH+](CC)CC)OC,329.435,1.2249,87.2129,85.29,30,2,5,JTVPZMFULRWINT-UHFFFAOYSA-O,C15H25N2O4S+,COc1ccc(cc1C(=O)NCC[NH+](CC)CC)S(=O)(=O)C,"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)/p+1",-7.8302,-7.7333,-5.9502,-4.6085,-4.5805,-4.5658,1.6488,1.8054,2.4071,2.6376,3.0349,D08590_N05AL03,200201400000048401000600000300088000008000088000000000c0000000000d00400a2000800000860228000000800020020000040100000000020000000408200000810420810020000002880000008000600120200840081100000000010814000200000002000103002011000000069104084102a0086a800000000000,0500000050f101,0100420204000000000080000a0000004001000000000000800000000000000000000240c02a01,000000000000659e0441b31da9e83b6a87fafeff1f,0,6,38,3,0,9,47,47,-12.555,-4.176,0,0.0,0.0027024759999999997,-,0.4108,-,0.4108,https://www.genome.jp/dbget-bin/www_bget?dr:D08590
4405,D01522, Tiapride hydrochloride (JP17), Benzamides,N05AL03,NERVOUS SYSTEM,S(=O)(=O)(C)c1ccc(c(c1)C(=O)NCC[NH+](CC)CC)OC,329.435,1.2249,87.2129,85.29,30,2,5,JTVPZMFULRWINT-UHFFFAOYSA-O,C15H25N2O4S+,COc1ccc(cc1C(=O)NCC[NH+](CC)CC)S(=O)(=O)C,"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)/p+1",-7.8429,-7.7141,-6.0095,-4.5999,-4.5694,-4.543,1.6176,1.7965,2.4059,2.4078,2.6337,D01522_N05AL03,200201400000048401000600000300088000008000088000000000c0000000000d00400a2000800000860228000000800020020000040100000000020000000408200000810420810020000002880000008000600120200840081100000000010814000200000002000103002011000000069104084102a0086a800000000000,0500000050f101,0100420204000000000080000a0000004001000000000000800000000000000000000240c02a01,000000000000659e0441b31da9e83b6a87fafeff1f,0,6,38,3,0,9,47,47,-12.557,-4.177,0,1.0,0.002704833,-,0.4108,-,0.4108,https://www.genome.jp/dbget-bin/www_bget?dr:D01522
4406,D02682, Remoxipride (USAN), Benzamides,N05AL04,NERVOUS SYSTEM,c1cc(c(c(c1OC)C(=O)NC[C@@H]1CCC[N@@H+]1CC)OC)Br,372.277,3.2234,94.6239,52.0,28,2,4,GUJRSXAPGDDABA-NSHDSACASA-O,C16H24BrN2O3+,COc1ccc(c(c1C(=O)NCC1CCC[NH+]1CC)OC)Br,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-6.0061,-4.5997,-4.579,-4.5503,-4.1248,-3.8364,1.5565,1.5603,1.5845,2.6256,2.6763,D02682_N05AL04,00020008080004a401200600000300080000009000084200000000c0000000001c005002018000002086063800000000014a020000000000040000020000000008200000010500010120000012880000008001c000002008c00811000000004008140022000000421001020000100000000601040801102008b8002101400000,0500000050f001,0300420204000000000080000a0000004001000000100000000000000000000000000640c02a04,00000000002021000044769f896c3be325f3feff1f,0,6,40,1,0,7,46,47,-11.501,-3.9819999999999998,2,0.0,0.015424762,+,0.4449,-,0.4449,https://www.genome.jp/dbget-bin/www_bget?dr:D02682
4407,D02683, Remoxipride hydrochloride (USAN), Benzamides,N05AL04,NERVOUS SYSTEM,c1cc(c(c(c1OC)C(=O)NC[C@@H]1CCC[N@@H+]1CC)OC)Br,372.277,3.2234,94.6239,52.0,28,2,4,GUJRSXAPGDDABA-NSHDSACASA-O,C16H24BrN2O3+,COc1ccc(c(c1C(=O)NCC1CCC[NH+]1CC)OC)Br,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1",-5.9399,-4.6312,-4.6231,-4.5609,-4.1141,-3.8371,1.5618,1.6084,1.6132,2.6439999999999997,3.1013,D02683_N05AL04,00020008080004a401200600000300080000009000084200000000c0000000001c005002018000002086063800000000014a020000000000040000020000000008200000010500010120000012880000008001c000002008c00811000000004008140022000000421001020000100000000601040801102008b8002101400000,0500000050f001,0300420204000000000080000a0000004001000000100000000000000000000000000640c02a04,00000000002021000044769f896c3be325f3feff1f,0,6,40,1,0,7,46,47,-11.606,-3.985,2,,0.015388046,+,0.4449,-,0.4449,https://www.genome.jp/dbget-bin/www_bget?dr:D02683
4408,D07310, Amisulpride (INN), Benzamides,N05AL05,NERVOUS SYSTEM,c1(c(cc(c(c1)C(=O)NC[C@@H]1[N@@H+](CCC1)CC)OC)N)S(=O)(=O)CC,370.48699999999997,3.4901,102.73700000000001,111.31,34,3,6,NTJOBXMMWNYJFB-GFCCVEGCSA-O,C17H28N3O4S+,CC[NH+]1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/p+1/t12-/m1/s1",-7.8051,-7.7196,-6.0327,-5.0847,-5.0655,-4.9979,1.8707,2.4052,2.4968,2.6043,2.6426,D07310_N05AL05,20020140000004b401000600000300088000009000088000000000c0004000001d00580a2100802020860638000000c00126020000040100000000020001000408200000c104208100200408028800004080016005206008c0481100000002010814002200000002100103002011000000069184084112a0087a808502000000,0500000050f121,0300420a04000000000080000a0000004001000000000000800000000000000000000640c03a05,000000000000659e0445bf9fa9e83bebdffbfeff1f,0,6,45,3,0,8,53,54,-11.575999999999999,-3.835,2,-3.0,0.004751943,+,0.6209,-,0.6209,https://www.genome.jp/dbget-bin/www_bget?dr:D07310
4409,D07311, Veralipride (INN), Benzamides,N05AL06,NERVOUS SYSTEM,c1(cc(c(c(c1)C(=O)NC[C@@H]1CCC[N@@H+]1CC=C)OC)OC)S(=O)(=O)N,384.47,3.0555,102.251,120.54,33,3,7,RYJXBGGBZJGVQF-LBPRGKRZSA-O,C17H26N3O5S+,C=CC[NH+]1CCCC1CNC(=O)c1cc(cc(c1OC)OC)S(=O)(=O)N,"InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)/p+1/t12-/m0/s1",-12.1722,-9.4945,-9.2982,-6.0387,-5.8739,-5.8042,2.6534,3.22,3.6522,3.6558,3.8983,D07311_N05AL06,20020142000004a409000620000300088800009000088800000008c0000000001c80540a0100000020860638000000800132020000080900000100020000080008a10020814620810120011002c800000080016000202008c008110000000001081404220000000210010700201500000006b104084110210978804510000000,0500000050f001,1200420204000000000080000a0000004001000000000000000024000000000000000640c02a04,000000800300659e9445bfbfade231eb87ebfeff1f,0,6,43,4,0,9,52,53,-11.865,-4.115,2,-1.0,0.008412603000000001,+,0.7476,-,0.7476,https://www.genome.jp/dbget-bin/www_bget?dr:D07311
4410,D07312, Levosulpiride (INN), Benzamides,N05AL07,NERVOUS SYSTEM,S(=O)(=O)(N)c1ccc(c(c1)C(=O)NC[C@H]1[N@@H+](CCC1)CC)OC,342.434,2.8808,91.4263,111.31,30,3,6,BGRJTUBHPOOWDU-NSHDSACASA-O,C15H24N3O4S+,COc1ccc(cc1C(=O)NCC1CCC[NH+]1CC)S(=O)(=O)N,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/p+1/t11-/m0/s1",-12.1441,-9.4723,-9.3187,-5.9507,-5.7976,-5.7802,3.1055,3.2106,3.6599,3.6612,3.911,D07312_N05AL07,20020140000004a401000620000300088800009000088000000000c0000000001c00500a01000000208606380000008001220200000801000000000200000000082100008104208101200000028800000080016000202008c008110000000001081400220000000210010300201100000006b104084110210978800110000000,0500000050f001,0300420204000000000080000a0000004001000000000000000024000000000000000640c02a04,000000800100659e1445bfbfa9ea3beb87ebfeff1f,0,6,39,3,0,7,47,48,-12.689,-4.043,2,1.0,0.0052272790000000005,+,0.8883,-,0.8883,https://www.genome.jp/dbget-bin/www_bget?dr:D07312
4411,D00801, Lithium carbonate (JP17/USP), Lithium,N05AN01,NERVOUS SYSTEM,C(=O)(O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1083,-6.1081,-5.8856,-1.8078,-1.8078,-1.5615,0.9813,2.3632,2.3632,2.7797,3.4071,D00801_N05AN01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.364,16.425,0,-1.0,0.0,-,1.0028,-,1.0028,https://www.genome.jp/dbget-bin/www_bget?dr:D00801
4412,D04749, Lithium citrate (USP), Lithium,N05AN01,NERVOUS SYSTEM,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5781,-4.5621,-4.5606,-4.4523,-4.4219,-4.4158,2.3694,2.3723,2.3951,2.4033,2.4078,D04749_N05AN01,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.365,13.797,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D04749
4413,D08134, Lithium acetate, Lithium,N05AN01,NERVOUS SYSTEM,C(=O)(O)C,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5656,-4.4318,-1.3341,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D08134_N05AN01,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.246,0,1.0,2.3081299999999998e-12,+,0.9621,-,0.9621,https://www.genome.jp/dbget-bin/www_bget?dr:D08134
4414,D08136, Lithium gluconate, Lithium,N05AN01,NERVOUS SYSTEM,OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O,196.155,-3.4931,38.5368,138.45,18,6,7,RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,OCC(C(C(C(C(=O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",-4.6101,-4.4282,-2.7177,-2.4258,-2.3203,-2.2351,2.3664,2.4139,2.4256,2.4582,2.4846,D08136_N05AN01,00000000000000000000000000000000000000000000000000000000000000001000000000000005000a0000000000000100000000204001000000000000000008000800000000000000800228800014005000400000000000000000000000000000000000000000000000000000280000000000000000000000000100000500,0400003c00a002,003800000001000000008800000000200000000000000000000000000000000000000000402804,000000000000300080000207801000040c0c825708,0,0,23,1,0,5,25,24,-4.316,4.789,4,-1.0,,+,0.573,-,0.573,https://www.genome.jp/dbget-bin/www_bget?dr:D08136
4415,D08137, Lithium sulfate, Lithium,N05AN01,NERVOUS SYSTEM,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8267,-10.8254,-10.2271,-10.2269,-1.7394,-1.7393,2.6002,2.6002,2.6003,2.6766,5.6506,D08137_N05AN01,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235,0,0.0,2.34984e-32,+,0.9524,-,0.9524,https://www.genome.jp/dbget-bin/www_bget?dr:D08137
4416,D07313, Prothipendyl (INN), Other antipsychotics,N05AX07,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccn1)CCC[NH+](C)C,286.415,2.2839,89.1217,45.87,23,1,2,JTTAUPUMOLRVRA-UHFFFAOYSA-O,C16H20N3S+,C[NH+](CCCN1c2ccccc2Sc2c1nccc2)C,"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3/p+1",-6.051,-4.6185,-4.6023,-4.5623,-2.6789,-2.3644,1.5722,1.5809,1.5907,1.767,1.9787,D07313_N05AX07,2003010040b000401008060118820000800101009000200280010000004000001b002800000880200090001c000010e00108a01202002008004000700010040406000c0040000220000000000008000000800061055030006009402000210000000010001000000000200000000004200006100000401a000002800002500000,0100000000f121,020050020400000000000000000000010000000000009000000000000000000000004600c02200,00000000280001040196b3129a49ac0340a35dad17,0,12,30,0,0,4,40,42,-10.520999999999999,-3.9610000000000003,0,0.0,0.006973971999999999,+,0.6835,-,0.6835,https://www.genome.jp/dbget-bin/www_bget?dr:D07313
4417,D08446, Prothipendyl hydrochloride, Other antipsychotics,N05AX07,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(S2)cccn1)CCC[NH+](C)C,286.415,2.2839,89.1217,45.87,23,1,2,JTTAUPUMOLRVRA-UHFFFAOYSA-O,C16H20N3S+,C[NH+](CCCN1c2ccccc2Sc2c1nccc2)C,"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3/p+1",-6.0476,-4.6197,-4.6019,-4.5791,-2.6791,-2.3626,1.5704,1.5753,1.5843,1.7814,1.9877,D08446_N05AX07,2003010040b000401008060118820000800101009000200280010000004000001b002800000880200090001c000010e00108a01202002008004000700010040406000c0040000220000000000008000000800061055030006009402000210000000010001000000000200000000004200006100000401a000002800002500000,0100000000f121,020050020400000000000000000000010000000000009000000000000000000000004600c02200,00000000280001040196b3129a49ac0340a35dad17,0,12,30,0,0,4,40,42,-10.517999999999999,-3.957,0,1.0,0.00697566,+,0.6835,-,0.6835,https://www.genome.jp/dbget-bin/www_bget?dr:D08446
4418,D00426, Risperidone (JP17/USAN/INN), Other antipsychotics,N05AX08,NERVOUS SYSTEM,[C@H]1(CC[N@H+](CC1)CCc1c(=O)n2c([nH]c1C)CCCC2)c1noc2c1ccc(c2)F,412.5,3.9567,119.633,68.26,31,2,4,KCSKKGUMOATYKB-UHFFFAOYSA-O,C23H29FN4O2+,Fc1ccc2c(c1)onc2C1CC[NH+](CC1)CCc1c(C)[nH]c2n(c1=O)CCCC2,"InChI=1S/C23H28FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16,25H,2-4,7-13H2,1H3/p+1",-5.9814,-5.0801,-4.637,-4.6222,-4.5974,-4.5645,1.8979,2.3608,2.5111,2.5375,3.0169,D00426_N05AX08,102680c0000008001b8207010400200005010018300000000000018000300100980058000000c0002806051804218000010280005000200002000306000200010400042000000000401040000290000d0090035000843008e00908000008220400a00020240000001000100000020400004e012200011a000016000180000200,0500000000f001,07004002040000000300800020000000000000000008b000000000000000000000004600c02a05,0000000020020121419476aebb6db8cb2563edef1f,1,10,55,1,0,4,62,66,-13.614,-7.893,0,0.0,0.00016047200000000002,+,2.214,-,2.214,https://www.genome.jp/dbget-bin/www_bget?dr:D00426
4419,D08235, Mosapramine (INN), Other antipsychotics,N05AX10,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[N@@H+]1CC[C@@]3(CC1)[N@@H+]1[C@H](NC3=O)CCCC1)cc(cc2)Cl,481.07300000000004,5.4412,155.30100000000002,41.22,40,3,2,PXUIZULXJVRBPC-SANMLTNESA-P,C28H37ClN4O++,Clc1ccc2c(c1)N(CCC[NH+]1CCC3(CC1)C(=O)NC1[NH+]3CCCC1)c1ccccc1CC2,"InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)/p+2/t26-/m0/s1",-7.3748,-6.037999999999999,-6.0029,-5.9444,-5.0161,-4.6372,2.6456,2.6469,2.7954,3.0081,3.0389999999999997,D08235_N05AX10,00278220804018001300260000800808801000100800040200000080002801001800500201000020200f153800011060014200004a0000080020000200c004000200000040000280012000002690000600b8035004003008e00948000028200040200020140000084000000000000020000e0105000110000014000102c00200,0500000000f021,020040020500000000008000200000000000000000040000000000000000000000006600c02a04,000004002004310002d476cedbe5b0c365e34d2f1f,0,12,63,1,0,4,71,76,-12.755,-7.361000000000001,2,1.0,0.006213267,+,2.9242,-,2.9242,https://www.genome.jp/dbget-bin/www_bget?dr:D08235
4420,D01548, Mosapramine hydrochloride (JAN), Other antipsychotics,N05AX10,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[N@@H+]1CC[C@@]3(CC1)[N@@H+]1[C@H](NC3=O)CCCC1)ccc(c2)Cl,481.07300000000004,5.4412,155.30100000000002,41.22,40,3,2,KVRBFMLEZWOKKR-SANMLTNESA-P,C28H37ClN4O++,Clc1ccc2c(c1)CCc1c(N2CCC[NH+]2CCC3(CC2)C(=O)NC2[NH+]3CCCC2)cccc1,"InChI=1S/C28H35ClN4O/c29-23-11-12-25-22(20-23)10-9-21-6-1-2-7-24(21)32(25)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)/p+2/t26-/m0/s1",-7.3757,-6.0382,-5.997000000000001,-5.9391,-5.0143,-4.628,2.6451,2.6507,2.7986,3.016,3.0539,D01548_N05AX10,002782228040180013002600008008088010001008000802000000800028010018005402010000202007153800011060010200004a0000080020000200c004000200000040000280002000000690000600b8035004003008e00948000028200040200020140000044000000000000020000e0104000110000014000502c00200,0500000000f021,020040020500000000008000200000000000000000040000000000000000000000006600c02a04,000004002004310002d476cedbe5b0c365e34d2f1f,0,12,63,1,0,4,71,76,-12.635,-7.37,2,-1.0,0.005655139,+,2.9063,-,2.9063,https://www.genome.jp/dbget-bin/www_bget?dr:D01548
4421,D01321, Zotepine (JAN/INN), Other antipsychotics,N05AX11,NERVOUS SYSTEM,C1(=Cc2c(Sc3c1cc(cc3)Cl)cccc2)OCC[NH+](C)C,332.86800000000005,3.4638,95.4117,38.97,21,1,2,HDOZVRUNCMBHFH-UHFFFAOYSA-O,C18H19ClNOS+,Clc1ccc2c(c1)C(=Cc1c(S2)cccc1)OCC[NH+](C)C,"InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3/p+1",-6.0196,-4.6272,-4.6007,-4.5751,-1.5165,-1.0707,1.4629,1.4644,1.5766,1.5833,1.5866,D01321_N05AX11,204203000000044400030620004ac00000000040002048300020009400240000090240002100801220010018000000800000040020402080040000020014000c080008020a10108200000100040000a2008800600091208040080000800100000044000080000084204000089020040001061180000102000002801000800100,0100000030f101,000050020400000000020000000000000000000000040000000000000000000000004640c02200,0000040008000104000af350dc552c6228c3ddb51f,0,12,30,1,0,4,41,43,-10.607999999999999,-4.345,0,1.0,0.070213564,-,0.547,-,0.547,https://www.genome.jp/dbget-bin/www_bget?dr:D01321
4422,D01164, Aripiprazole (JAN/USAN/INN), Other antipsychotics,N05AX12,NERVOUS SYSTEM,c1(ccc2c(c1)NC(=O)CC2)OCCCC[NH+]1CCN(CC1)c1c(c(ccc1)Cl)Cl,449.39300000000003,5.2144,134.218,46.01,32,2,4,CEUORZQYGODEFX-UHFFFAOYSA-O,C23H28Cl2N3O2+,O=C1CCc2c(N1)cc(cc2)OCCCC[NH+]1CCN(CC1)c1cccc(c1Cl)Cl,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/p+1",-6.0469,-4.5429,-4.5391,-4.5208,-3.767,-3.2775,1.5595,1.5692,1.7179,1.7286,1.9789,D01164_N05AX12,000e0220000000000b0006000082000880100010100212000004108100280000120041022120002100070038000110400166020008004008000000128080040008200c004100021101201008068080060098004024003808c00a080000080000000000280000040a402000060010103000070105280110200802008002c00004,0500000050f021,020042020500000000008000200000000000000000040000000000000000000000004600c02a00,00000000000001200044720edb75b1e37de3ed7f1f,0,12,48,1,0,7,58,61,-10.805,-4.198,0,,0.6903728840000001,+,1.3552,-,1.3552,https://www.genome.jp/dbget-bin/www_bget?dr:D01164
4423,D05339, Paliperidone (JAN/USAN/INN), Other antipsychotics,N05AX13,NERVOUS SYSTEM,c1(c([nH]c2n(c1=O)CCC[C@H]2O)C)CC[N@@H+]1CC[C@H](CC1)c1noc2c1ccc(c2)F,428.5,3.4476,120.795,88.49,32,3,5,ZHQROMBQMJYXCF-LJQANCHMSA-O,C23H29FN4O3+,Fc1ccc2c(c1)onc2C1CC[NH+](CC1)CCc1c(C)[nH]c2n(c1=O)CCCC2O,"InChI=1S/C23H28FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,25,29H,2-3,6-12H2,1H3/p+1/t19-/m1/s1",-5.9878,-5.0375,-4.6189,-4.6109,-4.5987,-4.5562,2.3634,2.5623,2.6021,2.9936,3.2201,D05339_N05AX13,102e80c0000008001b8207010400200005010018300000000000018000300100980058000000c0032806051804218000010280005000600002000306000200110c000c2000000800401040000290000d0090035000843008e00908000008220400a00020240000001000100080021400004e012200011a000056000180000200,0500002c00f001,07284002040000000300800020000000000000000008b000000000000000000000004600c02a05,0000000020022121419476eebb6db8cb2d67efff1f,1,10,56,1,0,4,63,67,-13.645999999999999,-7.984,1,1.0,0.00018570400000000002,+,2.1672,-,2.1672,https://www.genome.jp/dbget-bin/www_bget?dr:D05339
4424,D05340, Paliperidone palmitate (JAN/USAN), Other antipsychotics,N05AX13,NERVOUS SYSTEM,c1(c([nH]c2n(c1=O)CCC[C@H]2OC(=O)CCCCCCCCCCCCCCC)C)CC[N@@H+]1CC[C@H](CC1)c1noc2c1ccc(c2)F,666.909,9.4798,197.83,94.56,63,2,6,ARTAISIBUSHZFE-UUWRZZSWSA-O,C39H59FN4O4+,CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1[nH]c(C)c(c2=O)CC[NH+]1CCC(CC1)c1noc2c1ccc(c2)F,"InChI=1S/C39H58FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34,41H,3-18,21-27H2,1-2H3/p+1/t34-/m1/s1",-6.0244,-5.0887,-4.6062,-4.5865,-4.5624,-4.505,1.8593,1.9636,2.0958,2.3392,2.3452,D05340_N05AX13,102e80c000000a001b8207010402200005010018300280000000018000340110980058000000c013280e051824218000010280005020600002000306000286110c100c20081008004010c0000a90000d0090035000843008e00908000008220400a00020240000001000100080021c00004f01a200031a0000560001c0000300,0500000030f005,07004002040000000300900020000000000000000008b000000000000000000000004600c02a05,0000000020020121419476eebb6dbeefad6bffff1f,1,10,102,2,0,20,110,114,-13.651,-8.29,1,1.0,0.000146874,+,7.093999999999999,-,7.093999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D05340
4425,D02666, Iloperidone (USAN/INN), Other antipsychotics,N05AX14,NERVOUS SYSTEM,c1c(cc(c(c1)OCCC[N@@H+]1CC[C@H](CC1)c1c2c(on1)cc(F)cc2)OC)C(=O)C,427.48900000000003,4.9787,120.941,66.0,32,1,5,XMXHEBAFVSFQEX-UHFFFAOYSA-O,C24H28FN2O4+,COc1cc(ccc1OCCC[NH+]1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C,"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3/p+1",-6.0364,-4.5882,-4.5775,-4.5673,-2.8473,-1.025,1.4448,1.4461,1.584,1.5956,1.6037,D02666_N05AX14,502600c0000000800a8207010402200005010018300012000000018001000000940058008000c0010802031804218000010282000000a80002000306000220010ca00c22014000014010402002c080000080015000843008c008080000080204008000202000040210001002001204000046212209011a20080a004380000004,1500000050f001,07004202040001000000000000000000000100000008b000000000000000000000004640c02a05,0000000000020121c10476b6bb55a1eb29ebffff1f,1,16,45,1,0,8,59,62,-11.575999999999999,-4.125,0,0.0,0.293318957,+,2.0585,-,2.0585,https://www.genome.jp/dbget-bin/www_bget?dr:D02666
4426,D09997, Cariprazine (USAN/INN), Other antipsychotics,N05AX15,NERVOUS SYSTEM,C1[C@H](CC[C@@H](C1)CC[NH+]1CCN(CC1)c1c(c(ccc1)Cl)Cl)NC(=O)N(C)C,428.41900000000004,4.9435,125.927,40.02,37,2,4,KPWSJANDNDDRMB-QAQDUYKDSA-O,C21H33Cl2N4O+,O=C(N(C)C)NC1CCC(CC1)CC[NH+]1CCN(CC1)c1cccc(c1Cl)Cl,"InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/p+1/t16-,17-",-6.0461,-5.2796,-4.7437,-4.5685,-4.563,-4.531000000000001,1.7346,1.8133,2.3544,2.6213,2.9783,D09997_N05AX15,0002020000000a000100060000800008800000100000000000041000002001001a001102210000201005053800011040014200000020000a0000001000000400000000004000000001200000069000020088014004002000c00a00000000000000200028040000080000000000000000000e0005200010000010000102c00000,0100000000f061,060040020500000000000000000000000040040000040000000000000000000000000600c02a04,000000001000012000567216ca66b08375a37daf1f,0,6,56,1,0,7,61,63,-11.079,-3.859,0,-1.0,0.190480307,-,1.3912,-,1.3912,https://www.genome.jp/dbget-bin/www_bget?dr:D09997
4427,D09876, Cariprazine hydrochloride (JAN/USAN), Other antipsychotics,N05AX15,NERVOUS SYSTEM,C1[C@H](CC[C@@H](C1)CC[NH+]1CCN(CC1)c1c(c(ccc1)Cl)Cl)NC(=O)N(C)C,428.41900000000004,4.9435,125.927,40.02,37,2,4,KPWSJANDNDDRMB-QAQDUYKDSA-O,C21H33Cl2N4O+,O=C(N(C)C)NC1CCC(CC1)CC[NH+]1CCN(CC1)c1cccc(c1Cl)Cl,"InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/p+1/t16-,17-",-6.0524,-5.2902,-4.7625,-4.5713,-4.5623,-4.5303,1.7385,1.8465,2.3597,2.6274,2.9847,D09876_N05AX15,0002020000000a000100060000800008800000100000000000041000002001001a001102210000201005053800011040014200000020000a0000001000000400000000004000000001200000069000020088014004002000c00a00000000000000200028040000080000000000000000000e0005200010000010000102c00000,0100000000f061,060040020500000000000000000000000040040000040000000000000000000000000600c02a04,000000001000012000567216ca66b08375a37daf1f,0,6,56,1,0,7,61,63,-11.079,-3.859,0,-2.0,0.190480307,-,1.3912,-,1.3912,https://www.genome.jp/dbget-bin/www_bget?dr:D09876
4428,D00293, Diazepam (JP17/USP/INN), Benzodiazepine derivatives,N05BA01,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)C)c1ccccc1,284.74,2.6544,87.95100000000001,32.67,16,0,3,AAOVKJBEBIDNHE-UHFFFAOYSA-N,C16H13ClN2O,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",-3.782,-2.7909,-2.3446,-2.1562,-2.1089,-1.4151,0.7636,1.0118,1.5655,1.6523,1.696,D00293_N05BA01,000602228000004003840600988008088010004510000840000000a08020000010004000002000204007002800201040000000000080000801000002008824020000180040000680008010000480000200ac004024002808450e0900000300000000240100000014400008002000004000060108200120000000040402c00000,04000000003001,000000000000080000008000200000000000000000040000000000000000000000004640402800,000004000000002000e450585865d84368e129ab1f,0,12,21,2,0,1,33,35,-9.593,-0.742,0,1.0,0.6905015109999999,+,0.4737,-,0.4737,https://www.genome.jp/dbget-bin/www_bget?dr:D00293
4429,D00267, Chlordiazepoxide (JP17/USP/INN), Benzodiazepine derivatives,N05BA02,NERVOUS SYSTEM,C1(=[N](CC(=[NH]c2c1cc(cc2)Cl)NC)O)c1ccccc1,301.77099999999996,2.8416,93.5019,68.47,19,3,2,LYVZTSZADDEWMC-UHFFFAOYSA-N,C16H16ClN3O,CNC1=[NH]c2ccc(cc2C(=[N](C1)O)c1ccccc1)Cl,"InChI=1S/C16H16ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,18-19,21H,10H2,1H3",-5.1770000000000005,-5.0427,-4.2618,-4.1557,-3.7917,-2.385,1.5113,1.6947,1.9128,1.9399,2.6064,D00267_N05BA02,000742208100084002848600981008082008004200040840001400a8802009001000c0040000002200010128000000400000080000480001010000020008008a19000880c10006800880004004100012218e00400400221a470c0900000110000000200110040014002208000000004000060508004120401000060402800010,0110000000f021,000040100000000000008000000000000000000000040000000000000000000000004640c02a00,001084002004112050f44030f945c84b7ce569a91f,0,12,25,2,0,2,37,39,-11.604000000000001,-5.77,0,,2.36488e-11,+,0.5397,-,0.5397,https://www.genome.jp/dbget-bin/www_bget?dr:D00267
4430,D00693, Chlordiazepoxide hydrochloride (JAN/USP, Benzodiazepine derivatives,N05BA02,NERVOUS SYSTEM,C1(=[N](CC(=[NH]c2c1cc(cc2)Cl)NC)O)c1ccccc1,301.77099999999996,2.8416,93.5019,68.47,19,3,2,LYVZTSZADDEWMC-UHFFFAOYSA-N,C16H16ClN3O,CNC1=[NH]c2ccc(cc2C(=[N](C1)O)c1ccccc1)Cl,"InChI=1S/C16H16ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,18-19,21H,10H2,1H3",-5.1755,-5.0426,-4.2625,-4.1589,-3.7898,-2.3875,1.5141,1.6901,1.9140000000000001,1.9383,2.6026,D00693_N05BA02,000742208100084002848600981008082008004200040840001400a8802009001000c0040000002200010128000000400000080000480001010000020008008a19000880c10006800880004004100012218e00400400221a470c0900000110000000200110040014002208000000004000060508004120401000060402800010,0110000000f021,000040100000000000008000000000000000000000040000000000000000000000004640c02a00,001084002004112050f44030f945c84b7ce569a91f,0,12,25,2,0,2,37,39,-11.602,-5.772,0,-1.0,2.36748e-11,+,0.5397,-,0.5397,https://www.genome.jp/dbget-bin/www_bget?dr:D00693
4431,D01292, Medazepam (JP17/INN), Benzodiazepine derivatives,N05BA03,NERVOUS SYSTEM,C1(=NCCN(c2c1cc(cc2)Cl)C)c1ccccc1,270.757,3.1278,87.751,15.6,17,0,2,YLCXGBZIZBEVPZ-UHFFFAOYSA-N,C16H15ClN2,Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",-3.0511,-3.0021,-2.1466,-1.6827,-1.4933,-1.1572,0.4893,0.5261,0.7389,0.7933,0.8522,D01292_N05BA03,000602228000004002840600988008088010004500000840000000a080200000100040000000002000010028002010400000000000000008010000020088240200001800400006800080000004000002008c004004002008450e0900000300000000200100000014400008002000004000060108200120000000040402c00000,00000000003021,000040000100080000000000000000000000000000040000000000000000000000004640402000,000004000000002000e470105845ec0360a30da917,0,12,23,1,0,1,34,36,-8.78,-0.282,0,0.0,0.7929079529999999,+,0.4088,-,0.4088,https://www.genome.jp/dbget-bin/www_bget?dr:D01292
4432,D04882, Medazepam hydrochloride (USAN), Benzodiazepine derivatives,N05BA03,NERVOUS SYSTEM,C1(=NCCN(c2c1cc(cc2)Cl)C)c1ccccc1,270.757,3.1278,87.751,15.6,17,0,2,YLCXGBZIZBEVPZ-UHFFFAOYSA-N,C16H15ClN2,Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",-3.0511,-3.0021,-2.1466,-1.6827,-1.4933,-1.1572,0.4893,0.5261,0.7389,0.7933,0.8522,D04882_N05BA03,000602228000004002840600988008088010004500000840000000a080200000100040000000002000010028002010400000000000000008010000020088240200001800400006800080000004000002008c004004002008450e0900000300000000200100000014400008002000004000060108200120000000040402c00000,00000000003021,000040000100080000000000000000000000000000040000000000000000000000004640402000,000004000000002000e470105845ec0360a30da917,0,12,23,1,0,1,34,36,-8.07,-1.143,0,,0.79638958,+,0.4088,-,0.4088,https://www.genome.jp/dbget-bin/www_bget?dr:D04882
4433,D00464, Oxazepam (JAN/USP/INN), Benzodiazepine derivatives,N05BA04,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)Nc2c1cc(cc2)Cl)O)c1ccccc1,286.71299999999997,2.0215,84.2115,61.69,15,2,4,ADIMAYPTOBDMTL-OAHLLOKOSA-N,C15H11ClN2O2,O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)/t15-/m1/s1",-4.0637,-4.038,-3.7835,-3.2659,-2.8803,-2.3209,1.7466,1.7877,1.7939,2.0012,2.8289,D00464_N05BA04,000602228000004003840600988008088010044510000848000000a08020000010004000002000224007002800201040000000000080000801000002008824020800180040000680008050000480000200ec004024002808450e090001030000000124010000001440002800a000044000060108201120000000040402c00000,0400000c00b001,000000000000080000008000200000000000000000040000000000000000000000004640403804,000004000000202080e040485025d04164e5617a1f,0,12,19,2,0,1,31,33,-9.749,-0.914,1,1.0,0.551101029,+,0.4768,-,0.4768,https://www.genome.jp/dbget-bin/www_bget?dr:D00464
4434,D00694, Clorazepate dipotassium (JP17/USP), Benzodiazepine derivatives,N05BA05,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)Nc2c1cc(cc2)Cl)C(=O)O)c1ccccc1,314.723,2.1563,89.6285,78.76,15,2,5,XDDJGVMJFWAHJX-AWEZNQCLSA-N,C16H11ClN2O3,OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)/t14-/m0/s1",-4.5245,-4.4334,-3.7825,-3.2774,-2.8743,-2.6710000000000003,2.0102,2.1039,2.3032,2.3562,2.459,D00694_N05BA05,000602228000004003840600988008088010004510000840000000a0802000001000400080200427400f003800201040000000001080800801000002008824020a00180040000680008010000480001a00bc015024002808450e09000003000000002401000000144000080020000060000601082001300000000c0402c00000,0400000c00b003,000000000000080000008800200000000000000000040000000000000000000000004640403804,000004000000102000e040495125d045e4e5637a1f,0,12,20,3,0,2,33,35,-4.717,1.909,1,-1.0,0.000505052,+,0.7064,-,0.7064,https://www.genome.jp/dbget-bin/www_bget?dr:D00694
4435,D03562, Clorazepate monopotassium (USAN), Benzodiazepine derivatives,N05BA05,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)Nc2c1cc(cc2)Cl)C(=O)O)c1ccccc1,314.723,2.1563,89.6285,78.76,15,2,5,XDDJGVMJFWAHJX-AWEZNQCLSA-N,C16H11ClN2O3,OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)/t14-/m0/s1",-4.5237,-4.4322,-3.7825,-3.2793,-2.8744,-2.6762,2.0109,2.1047,2.3032,2.356,2.4737,D03562_N05BA05,000602228000004003840600988008088010004510000840000000a0802000001000400080200427400f003800201040000000001080800801000002008824020a00180040000680008010000480001a00bc015024002808450e09000003000000002401000000144000080020000060000601082001300000000c0402c00000,0400000c00b003,000000000000080000008800200000000000000000040000000000000000000000004640403804,000004000000102000e040495125d045e4e5637a1f,0,12,20,3,0,2,33,35,-4.715,1.909,1,,0.000505413,+,0.7064,-,0.7064,https://www.genome.jp/dbget-bin/www_bget?dr:D03562
4436,D00365, Lorazepam (JP17/USP/INN), Benzodiazepine derivatives,N05BA06,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)Nc2c1cc(cc2)Cl)O)c1ccccc1Cl,321.158,2.6749,89.2215,61.69,14,2,4,DIWRORZWFLOCLC-OAHLLOKOSA-N,C15H10Cl2N2O2,Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)/t15-/m1/s1",-4.063,-4.0422,-3.7834,-3.2698,-2.8794,-2.3236,1.7514,1.7881,1.7962,2.0034,2.8331,D00365_N05BA06,000602228000004403840600988008088010044510000848000200a08020000010004000002000224007002800241040000000000080000801008052008824020800180040000680008050000480000200ec004024002808450e290001030000000124010000001440002800a040044000060108201120000000040402c00000,0400000c00b001,000000000000080000008000200000000000000000040000000000000000000000004640403804,000004000000202080e040485025d04164e5617a1f,0,12,19,2,0,1,31,33,-9.651,-0.83,1,1.0,0.798508346,+,0.5547,-,0.5547,https://www.genome.jp/dbget-bin/www_bget?dr:D00365
4437,D02770, Adinazolam (USAN/INN), Benzodiazepine derivatives,N05BA07,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nn2)C[NH+](C)C)c1ccccc1,352.841,1.3518,104.419,47.51,22,1,4,GJSLOMWRLALDCT-UHFFFAOYSA-O,C19H19ClN5+,C[NH+](Cc1nnc2n1c1ccc(cc1C(=NC2)c1ccccc1)Cl)C,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3/p+1",-6.1826,-6.0202,-4.6417,-4.6046,-2.9251,-2.1595,1.5739,1.5984,1.6296,1.9480000000000002,1.9726,D02770_N05BA07,000636a4800004c4020c86009c0000000110024040000840c00400e010208000100140000000006100a10128010002408000240000004000250202020088000a8c240c00400006800882000084080002008c004424012109450808000009000001142009000080140600980040000041800e019800052040190004040a808000,0100000000f001,000040020400080000000000000000000000000000049800000000000000000000004640c03200,000004002000092001f276b05845c48b60a359ad17,0,17,29,1,0,3,44,47,-12.389000000000001,-4.271,0,4.0,0.020408249,+,1.2417,-,1.2417,https://www.genome.jp/dbget-bin/www_bget?dr:D02770
4438,D02771, Adinazolam mesylate (USAN), Benzodiazepine derivatives,N05BA07,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nn2)C[NH+](C)C)c1ccccc1,352.841,1.3518,104.419,47.51,22,1,4,GJSLOMWRLALDCT-UHFFFAOYSA-O,C19H19ClN5+,C[NH+](Cc1nnc2n1c1ccc(cc1C(=NC2)c1ccccc1)Cl)C,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3/p+1",-6.1935,-6.022,-4.6421,-4.6041,-2.9249,-2.1616,1.5730000000000002,1.5988,1.6285,1.95,1.9741,D02771_N05BA07,000636a4800004c4020c86009c0000000110024040000840c00400e010208000100140000000006100a10128010002408000240000004000250202020088000a8c240c00400006800882000084080002008c004424012109450808000009000001142009000080140600980040000041800e019800052040190004040a808000,0100000000f001,000040020400080000000000000000000000000000049800000000000000000000004640c03200,000004002000092001f276b05845c48b60a359ad17,0,17,29,1,0,3,44,47,-12.382,-4.269,0,,0.020428874,+,1.2417,-,1.2417,https://www.genome.jp/dbget-bin/www_bget?dr:D02771
4439,D01245, Bromazepam (JP17/USAN/INN), Benzodiazepine derivatives,N05BA08,NERVOUS SYSTEM,C1(=NCC(=O)Nc2c1cc(cc2)Br)c1ncccc1,316.153,2.2072,83.5347,54.35,14,1,4,VMIYHDSEFNYJSL-UHFFFAOYSA-N,C14H10BrN3O,O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccn1,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",-3.7907,-3.2698,-2.8787,-2.6066,-2.3328,-2.1507,1.52,1.6557,1.682,1.7358,1.8073,D01245_N05BA08,0006002c88000040039006009c8008088010004550002240000000a0800000001000400000208060c0860068002012400000000000802008010000020088240084003c02c0010600008010001088000000a480c024802808430e090000030040001024110000001040000800200006480006011820412000108004100a400000,0400000000b001,000000000000080000008000200000000000000000109000000000000000000000004640403800,000004000020002001e040489a65d04168e1412b1f,0,12,17,2,0,1,29,31,-8.894,-1.766,0,,0.7434933779999999,+,0.5163,-,0.5163,https://www.genome.jp/dbget-bin/www_bget?dr:D01245
4440,D01253, Clobazam (JAN/USAN/INN), Benzodiazepine derivatives,N05BA09,NERVOUS SYSTEM,C1(=O)CC(=O)N(c2c(N1c1ccccc1)cc(cc2)Cl)C,300.74,3.5012,89.06700000000001,40.62,17,0,3,CXOXHMZGEKVPMT-UHFFFAOYSA-N,C16H13ClN2O2,Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",-3.7896,-3.7875,-2.8083,-1.7213,-1.4352,-1.4132,0.9655,1.0149,1.0317,1.2209999999999999,1.6989,D01253_N05BA09,00020202001000001100060200800000808000002000080200000000002000001000000000200020000f001800001060004000101200000800400010000004000000000040000600010010000480000a009800500420280060090000002100000000100010000008000000000000002000060001010010000000000002c00000,04000000003001,020000000000000000008000200000000000000000040000000000000000000000004600402803,000004000000002000c4501951659843f8e129ea1f,0,12,22,2,0,1,34,36,-9.277000000000001,-0.469,0,1.0,0.405454785,+,0.6993,+,0.6993,https://www.genome.jp/dbget-bin/www_bget?dr:D01253
4441,D04650, Ketazolam (USAN/INN), Benzodiazepine derivatives,N05BA10,NERVOUS SYSTEM,[C@]12(c3c(N(C(=O)CN1C(=O)C=C(O2)C)C)ccc(c3)Cl)c1ccccc1,368.814,3.283,105.559,49.85,22,0,5,PWAJCNITSBZRBL-HXUWFJFHSA-N,C20H17ClN2O3,CC1=CC(=O)N2C(O1)(c1ccccc1)c1cc(Cl)ccc1N(C(=O)C2)C,"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/t20-/m1/s1",-5.6405,-4.2696,-4.1148,-3.7792,-3.0716,-2.7995,1.7009,1.7924,1.9337,2.3593,2.3869,D04650_N05BA10,04060262004004e62304060080c38818a01020c012124800022000e0002400403a0140820020002030870028100010c00010800010480508030100030088242008001a0240070282002011000688008e00b80040e40828084c2a092000038001081c8003000012044052190030000000010609042001000800a0c11c02c00100,0400080030b001,010000000000000003028000200000004001000000040000000000000000000000004640407804,000004000000002100cc50595fe59843e8e1bbfb1f,0,12,31,3,0,1,43,46,-9.677999999999999,-0.573,1,-1.0,0.8344444040000001,+,1.179,-,1.179,https://www.genome.jp/dbget-bin/www_bget?dr:D04650
4442,D00470, Prazepam (JP17/USAN/INN), Benzodiazepine derivatives,N05BA11,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)CC1CC1)c1ccccc1,324.80400000000003,3.4346,100.258,32.67,20,0,3,MWQCHHACWWAQLJ-UHFFFAOYSA-N,C19H17ClN2O,Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",-3.7895,-2.7894,-2.3542,-2.1552,-2.1084,-1.8499,0.7697,1.3282,1.5482,1.6512,1.6932,D00470_N05BA11,000602228000004003840600988008088010005510000840000000a08020000018004002012000204007043800201040010200000080000801000002008824020200180040000680008010010680000200ac004024002808c50e0900000300000000242100000014402008002000006000060108600130000010040402c00000,04000000003001,060000000000080000008000200000000000000000040000000000000000000000004640402800,000024000000002000e450485865d04369e32d2f1f,0,12,29,2,0,3,40,43,-9.437000000000001,-1.011,0,0.0,0.872208416,+,1.0267,-,1.0267,https://www.genome.jp/dbget-bin/www_bget?dr:D00470
4443,D00225, Alprazolam (JP17/USP/INN), Benzodiazepine derivatives,N05BA12,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nn2)C)c1ccccc1,308.765,3.0157,90.65100000000001,43.07,16,0,4,VREFGVBLTWBCJP-UHFFFAOYSA-N,C17H13ClN4,Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",-2.9319,-2.1571,-1.0759999999999998,-0.8276,-0.7201,-0.72,0.5271,0.7144,0.762,0.7978,0.97,D00225_N05BA12,000426a4800004c0020c86009c0000000110024040000840c00400e010208000100140000000006100a10128000002400000240000004000050202020088000a8c240c00400006800882000084080002008c0044240101094508080000010000011420010000801406008800400000418006019800052040190004040a808000,00000000003001,010000000000080000000000000000000000000000049800000000000000000000004640403000,000004002000082001f054a0584dc00b60a109a917,0,17,20,1,0,1,35,38,-9.072000000000001,-1.382,0,0.0,0.715386987,+,1.0685,-,1.0685,https://www.genome.jp/dbget-bin/www_bget?dr:D00225
4444,D00338, Halazepam (USAN/INN), Benzodiazepine derivatives,N05BA13,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)CC(F)(F)F)c1ccccc1,352.73800000000006,3.5869,92.949,32.67,15,0,3,WYCLKVQLVUQKNZ-UHFFFAOYSA-N,C17H12ClF3N2O,Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",-3.785,-3.7011,-3.6956,-3.6755,-2.7947,-2.7496,1.5654,1.6529,1.7045,1.7219,2.5604,D00338_N05BA13,00060262800000400384060098800808801004d510000840000000a08020000018006002002000204007002800201040000000000080000801400002008824020000180040000680008050000680000200ac004024002808450e0980000300000000240100000014c02008002000004000060108600130000000040402c00000,04000000003001,000100000000080000008000200000000000000000040000000000000000000000004640602800,000004000002002000e4504858e7d04369e3292f1f,3,12,24,2,0,3,36,38,-9.863,-0.9390000000000001,0,1.0,0.893982053,-,0.8941,-,0.8941,https://www.genome.jp/dbget-bin/www_bget?dr:D00338
4445,D07314, Pinazepam (INN), Benzodiazepine derivatives,N05BA14,NERVOUS SYSTEM,c12N(C(=O)CN=C(c1cc(cc2)Cl)c1ccccc1)CC#C,308.762,2.6578,95.727,32.67,16,0,3,MFZOSKPPVCIFMT-UHFFFAOYSA-N,C18H13ClN2O,C#CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1,"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2",-3.7827,-2.7893,-2.3542,-2.3502,-2.1554,-2.1077,0.7683,1.5616,1.6513,1.6875,1.6937,D07314_N05BA14,000602228000004003840601988008088010004590000840000000a08020000418004002002001204007002800201040000000000080000801000002008824030000180040001680008010000680000200ac004024002808450e0900000300000002340100000014400008002020404000060108600120000000040402c00000,04000000003001,200000000000080000008000200000000000000000040000000000000000000000004640402800,000005000000002000e450485865d04369e3292f1f,0,12,22,2,1,2,35,37,-9.315,-1.018,0,1.0,0.865139544,-,0.4157,-,0.4157,https://www.genome.jp/dbget-bin/www_bget?dr:D07314
4446,D07315, Camazepam (INN), Benzodiazepine derivatives,N05BA15,NERVOUS SYSTEM,c12N(C(=O)[C@H](N=C(c1cc(cc2)Cl)c1ccccc1)OC(=O)N(C)C)C,371.81800000000004,2.6787,106.94200000000001,62.21,24,0,6,PXBVEXGRHZFEOF-QGZVFWFLSA-N,C19H18ClN3O3,Clc1ccc2c(c1)C(=NC(C(=O)N2C)OC(=O)N(C)C)c1ccccc1,"InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3/t17-/m1/s1",-5.3767,-5.2345,-3.991,-3.7791,-3.5549,-2.7827,1.754,1.7954,2.1531,2.3619,2.8086,D07315_N05BA15,000602228000004003840600d88308088010044510000848020008e0802000001800400000200032d00f002800201040000000000088000801010082008826220800180040100680008250000480000200ee004024202c08450e090001030000000124010000001440002800a000044000060108201320000010c42402c00002,0400000030b001,000000000000080000008000200000000040000100040000000000000000000000004640402804,000044000000002080e670585127d067e0f13bfa1f,0,12,31,3,0,4,44,46,-9.592,-0.836,1,-1.0,0.5608893629999999,+,0.903,-,0.903,https://www.genome.jp/dbget-bin/www_bget?dr:D07315
4447,D08283, Nordazepam (INN), Benzodiazepine derivatives,N05BA16,NERVOUS SYSTEM,C1(=NCC(=O)Nc2c1cc(cc2)Cl)c1ccccc1,270.714,2.7031,83.0497,41.46,14,1,3,AKPLHCDWDRPJGD-UHFFFAOYSA-N,C15H11ClN2O,O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",-3.7903,-3.2697,-2.878,-2.3291,-2.1577,-2.1118,0.7575,1.5224,1.6566,1.6774,1.8045,D08283_N05BA16,000602228000004003840600988008088010004510000840000000a08020000010004000002000204007002800201040000000000080000801000002008824020000180040000680008010000480000200ac004024002808450e0900000300000000240100000014400008002000004000060108200120000000040402c00000,0400000000b001,000000000000080000008000200000000000000000040000000000000000000000004640403800,000004000000002000e04048d865d04168e1412b1f,0,12,18,2,0,1,30,32,-9.652999999999999,-0.79,0,0.0,0.7878977659999999,+,0.4559,-,0.4559,https://www.genome.jp/dbget-bin/www_bget?dr:D08283
4448,D01354, Fludiazepam (JP17/INN), Benzodiazepine derivatives,N05BA17,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)C)c1ccccc1F,302.731,2.7935,87.90899999999999,32.67,15,0,3,ROYOYTLGDLIGBX-UHFFFAOYSA-N,C16H12ClFN2O,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1F,"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",-3.782,-2.7913,-2.347,-2.16,-2.1102,-1.4144,0.7621,1.0125,1.5666,1.6546,1.6965,D01354_N05BA17,000602228000004003840e00988008088110004510000840000000a08020000010004010002000604007002800201040000000000080000801000002008a24030000180040008680009010002480000200ac004024002808450e090000030000000024010000001450000800200000400006010a200130000000040442c00000,04000000003001,0000000000000800000080002000000000000000000c0000000000000000000000004640402800,000004000002002000e450585865d84368e129ab1f,1,12,21,2,0,1,33,35,-9.637,-0.782,0,,0.736884475,-,0.7246,-,0.7246,https://www.genome.jp/dbget-bin/www_bget?dr:D01354
4449,D01293, Ethyl loflazepate (JAN/INN), Benzodiazepine derivatives,N05BA18,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)Nc2c1cc(cc2)Cl)C(=O)OCC)c1ccccc1F,360.767,2.7739,98.7137,67.76,19,1,5,CUCHJCMWNFEYOM-INIZCTEOSA-N,C18H14ClFN2O3,CCOC(=O)C1N=C(c2c(NC1=O)ccc(c2)Cl)c1ccccc1F,"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)/t16-/m0/s1",-4.4221,-3.7791,-3.2749,-2.9826,-2.8763,-2.6373,1.6559,1.8083,1.9897,2.0092,2.1242,D01293_N05BA18,000602228000004003840e00988208488110004510000840000000a0802400001000401080200467400f003820201040000000001080800801000002008a26030a00180040908680009018002480001a00bc015024002808450e090000030000000024010000001450002800200004600006018a2001380000000c0442c00000,0400000030b005,0100000000000800000090002000000000000000000c0000000000000000000000004640403804,000004000002002000e040495135d265e0e163ff1f,1,12,26,3,0,4,39,41,-9.824,-0.934,1,0.0,0.867077529,-,1.0446,-,1.0446,https://www.genome.jp/dbget-bin/www_bget?dr:D01293
4450,D01514, Etizolam (JP17/INN), Benzodiazepine derivatives,N05BA19,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(s3)CC)c(nn2)C)c1ccccc1Cl,342.846,3.6396,98.301,71.31,18,0,5,VMZUTJCNQWMAGF-UHFFFAOYSA-N,C17H15ClN4S,CCc1cc2c(s1)n1c(CN=C2c2ccccc2Cl)nnc1C,"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3",-3.5094,-2.9276,-1.2351,-0.8337,-0.8326,-0.8292,0.7513,0.7989,0.9288,0.9587,1.1494,D01514_N05BA19,000ce7a4800000c4060886009c0000008510824040000040c08600e450608002100140000800107180ad8968000c020005502400000040011d008392088802088c260c0000300604098200009c080082808e00c424030109c10868000001020001142001800188101600888040401041810641d8024d2042190804430a808110,00000000003001,03000000000008000000000000000000000000000004d800000000000000000000004640403000,000004002840082001f0d5a0584dc20b60a138ad17,0,16,24,1,0,2,38,41,-9.654,-1.189,0,0.0,0.907449305,+,1.8625,-,1.8625,https://www.genome.jp/dbget-bin/www_bget?dr:D01514
4451,D01328, Clotiazepam (JP17/INN), Benzodiazepine derivatives,N05BA21,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(s2)CC)C)c1ccccc1Cl,318.82099999999997,3.2783,95.601,60.91,18,0,4,CHBRHODLKOZEPZ-UHFFFAOYSA-N,C16H15ClN2OS,CCc1sc2c(c1)C(=NCC(=O)N2C)c1ccccc1Cl,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",-3.7841,-3.5058,-2.4819,-2.3038,-2.109,-1.2534,1.0083,1.2156,1.3464,1.5054,1.6501,D01328_N05BA21,000ee7208000104403800e00b80008088414824510000040000a00a4806000021040400008201061c00f8868002c1000055000000080400819008092008824080800180000300600018010001c80000a80ae00c024022808430e69000003000010002411808108104004080020401040000601c8220920020008044302c00110,04000000003001,03000000000008000000800020000000000000000004c000000000000000000000004640402800,000004000840002000e4d5d85865da4368e138af1f,0,11,25,2,0,2,36,38,-9.141,-0.718,0,,0.867728114,-,1.0564,-,1.0564,https://www.genome.jp/dbget-bin/www_bget?dr:D01328
4452,D01268, Cloxazolam (JP17/INN), Benzodiazepine derivatives,N05BA22,NERVOUS SYSTEM,[C@]12(c3c(NC(=O)C[N@@H+]1CCO2)ccc(c3)Cl)c1c(cccc1)Cl,350.219,3.7689,97.2904,42.77,18,2,3,ZIXNZOBDFKSQTC-QGZVFWFLSA-O,C17H15Cl2N2O2+,Clc1ccc2c(c1)C1(OCC[NH+]1CC(=O)N2)c1ccccc1Cl,"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)/p+1/t17-/m1/s1",-9.9067,-6.0503,-5.9042,-5.2794,-4.6845,-3.7903,2.6838,3.0465,3.2893,3.3384,3.4188,D01268_N05BA22,00060262004004cc0304060080838808a11120c010000810022200e000240040120140020020003230870028101c10400000800010080008030000030090241008001a0248141280022011000688000e00b80040e41028084c0a292000038000005000030000000440401900b000000000060184200100000000401c0ac00100,0500080030f001,000000000000000000008000200000000000000000040000000000000000000000004600c02a04,000004000000312100c076ced9f5b0c36de3ed7b1f,0,12,28,1,0,1,38,41,-12.612,-4.399,2,,0.246357605,+,0.8814,-,0.8814,https://www.genome.jp/dbget-bin/www_bget?dr:D01268
4453,D01254, Tofisopam (JP17/INN), Benzodiazepine derivatives,N05BA23,NERVOUS SYSTEM,C1(=NN=C([C@@H](c2c1cc(c(c2)OC)OC)CC)C)c1cc(c(cc1)OC)OC,382.45300000000003,3.3127,117.965,61.64,32,0,6,RUJBDQSFYCKFAA-HNNXBMFYSA-N,C22H26N2O4,CCC1C(=NN=C(c2c1cc(OC)c(c2)OC)c1ccc(c(c1)OC)OC)C,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1",-1.6263,-1.3733,-1.0272,-1.0271,-1.0268,-1.0268,0.4478,0.4568,0.6334,0.6534,0.7144,D01254_N05BA23,00140000000000400a020e00880200020000004000001240012809a0000000001000420802580040000000080001000001022240000518000000000200000000088008000100800108022028024000800080104008001128410808000009000001000001000404020200004000100006000a0100080100200808004304008800,00000000503001,070002000000000000000000000000000000000000000000000000000000000000004640403805,0000040000000820802000301001cb6900f9b3dc1f,0,12,42,2,0,6,54,56,-7.995,-1.337,1,,0.793234587,+,1.6676,-,1.6676,https://www.genome.jp/dbget-bin/www_bget?dr:D01254
4454,D08054, Hydroxyzine (INN), Diphenylmethane derivatives,N05BB01,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCCO)Cl,376.92,3.3601,115.041,38.34,31,3,2,ZQDWXGKKHFNSQK-NRFANRHFSA-P,C21H29ClN2O2++,OCCOCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2/p+2/t21-/m0/s1",-6.9758,-6.0549,-6.0322,-4.5717,-4.5455,-4.5239,2.207,2.3555,2.378,2.4805,2.5329,D08054_N05BB01,00060200000004000200060080030008210000c000000400000000e0002400001000400a2000001600810028000000000000000000000000000000020000001008000900081410000020000066080002008800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0100001c30f001,009840020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210080447244ca54a0a32d274d7d1f,0,12,45,0,0,8,55,57,-15.107999999999999,-7.9910000000000005,1,1.0,9.15746e-06,-,0.8324,-,0.8324,https://www.genome.jp/dbget-bin/www_bget?dr:D08054
4455,D00672, Hydroxyzine hydrochloride (JP17/USP), Diphenylmethane derivatives,N05BB01,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCCO)Cl,376.92,3.3601,115.041,38.34,31,3,2,ZQDWXGKKHFNSQK-NRFANRHFSA-P,C21H29ClN2O2++,OCCOCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2/p+2/t21-/m0/s1",-7.0017,-6.0384,-5.9513,-4.5552,-4.5442,-4.5369,2.3499,2.3568,2.4892,2.6618,2.8704,D00672_N05BB01,00060200000004000200060080030008210000c000000400000000e0002400001000400a2000001600810028000000000000000000000000000000020000001008000900081410000020000066080002008800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0100001c30f001,009840020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210080447244ca54a0a32d274d7d1f,0,12,45,0,0,8,55,57,-15.140999999999998,-7.933,1,1.0,9.22207e-06,-,0.8324,-,0.8324,https://www.genome.jp/dbget-bin/www_bget?dr:D00672
4456,D01096, Hydroxyzine pamoate (JP17/USP), Diphenylmethane derivatives,N05BB01,NERVOUS SYSTEM,c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.4469,-4.3892,-4.3074,-4.2777,-2.1384,-2.0748,1.8101,1.9191,2.3052,2.3459,2.3622,D01096_N05BB01,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.517,4.373,0,,5.96885e-08,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D01096
4457,D07316, Captodiame (BAN), Diphenylmethane derivatives,N05BB02,NERVOUS SYSTEM,c1cccc(c1)[C@H](c1ccc(cc1)SCCCC)SCC[NH+](C)C,360.6,4.5459,113.01,55.04,32,1,2,IZLPZXSZLLELBJ-OAQYLSRUSA-O,C21H30NS2+,CCCCSc1ccc(cc1)C(c1ccccc1)SCC[NH+](C)C,"InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3/p+1/t21-/m1/s1",-6.0149,-4.6231,-4.6005,-4.5637,-1.8133,-1.4566,1.4563,1.4705,1.5776,1.5805,1.5811,D07316_N05BB02,200601030000001002000600800000000000004000400000000000a000200400190040000003800000000418000000800110000000400000000100020800000400000000000000020000054004100100008000600000600840480802000000040000000100000000000000000000000000061100082502200012804002000000,0100000000f101,030049023400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001840002b31088402e0200125da517,0,12,43,0,0,10,54,55,-10.144,-3.924,1,0.0,0.30748266,-,0.9640000000000001,-,0.9640000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D07316
4458,D00376, Meprobamate (JAN/USP/INN), Carbamates,N05BC01,NERVOUS SYSTEM,C(COC(=O)N)(COC(=O)N)(CCC)C,218.25,2.384,53.8798,104.64,24,2,6,NPPQSCRMBWNHMW-UHFFFAOYSA-N,C9H18N2O4,CCCC(COC(=O)N)(COC(=O)N)C,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",-6.6531,-6.6370000000000005,-5.2697,-5.2539,-4.2326,-4.2324,2.0637,2.0685,2.2477,2.2509,2.8995,D00376_N05BC01,00000000000000000a00040000020000000000000000000002000000000000001000000000000001000c0010000000000100000000004001000000000000820008001800000000000001000000800000008000400000000000000001000000000000008000000000000000008000080000030100000100000000400100000000,0000000030a000,0b0000000000000000000000000000000040000100000000000000000000000000000000402800,00004000000000000200080300ba3e24852a56ff09,0,0,30,2,0,8,33,32,-10.844000000000001,0.7809999999999999,0,,,+,0.5627,-,0.5627,https://www.genome.jp/dbget-bin/www_bget?dr:D00376
4459,D07317, Emylcamate (INN), Carbamates,N05BC03,NERVOUS SYSTEM,CCC(CC)(OC(=O)N)C,145.19899999999998,2.3607,40.1824,52.32,18,1,3,SLWGJZPKHAXZQL-UHFFFAOYSA-N,C7H15NO2,CCC(OC(=O)N)(CC)C,"InChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)",-6.6448,-5.2578,-4.2330000000000005,-4.2246,-3.5704,-1.2251,1.2929,1.53,2.0277,2.0477,2.2344,D07317_N05BC03,00000000000000000000040000020000000000000000000002000000000000001000000000000001000c0000000000000100000000000000000000000000020008001800000000000001000000800000008000400000000000000000000000000000000000000000000000000000000000020100000100000000400100000000,0000000030a000,030000000000000000000000000000000040000100000000000000000000000000000000402800,00004000000000000200080400a21e240810d0fe09,0,0,23,1,0,4,25,24,-10.593,1.3980000000000001,0,0.0,,+,0.5499,-,0.5499,https://www.genome.jp/dbget-bin/www_bget?dr:D07317
4460,D01807, Mebutamate (JAN/USAN), Carbamates,N05BC04,NERVOUS SYSTEM,C(COC(=O)N)(COC(=O)N)(C)[C@@H](CC)C,232.27700000000002,2.63,58.6868,104.64,26,2,6,LEROTMJVBFSIMP-SSDOTTSWSA-N,C10H20N2O4,CCC(C(COC(=O)N)(COC(=O)N)C)C,"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)/t7-/m1/s1",-6.6391,-6.6078,-5.2947,-5.2445,-4.2317,-4.2288,2.0567,2.0789,2.218,2.2251,2.9124,D01807_N05BC04,00000000000000000a00040000020000000000000000000002000000000000001000000000000001000c0010000000000100000000004001000000000000820008001800000000000001000000800000008000400000000000000001000000000000008000000000000000008000080000030100000100000000400100000000,0000000030a000,0f0000000000000000000000000000000040000100000000000000000000000000000000402804,00004000000000000200080300ba1e24853a52ff09,0,0,33,2,0,8,36,35,-10.748,0.843,1,1.0,,+,0.8347,-,0.8347,https://www.genome.jp/dbget-bin/www_bget?dr:D01807
4461,D03089, Benzoctamine hydrochloride (USAN), Dibenzo-bicyclo-octadiene derivatives,N05BD01,NERVOUS SYSTEM,C1C[C@H]2c3c([C@@]1(c1c2cccc1)C[NH2+]C)cccc3,250.358,2.405,79.9624,16.61,20,1,0,GNRXCIONJWKSEA-KTXOBNNYSA-O,C18H20N+,C[NH2+]CC12CCC(c3c1cccc3)c1c2cccc1,"InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3/p+1/t13-,18-",-5.7113,-5.707000000000001,-4.4168,-4.3343,-1.4692,-0.7484,1.4477,1.5494,1.5507,1.5735,1.5777,D03089_N05BD01,000600000000000002000600820000060000005000000000010000a0000000001000508100400000100020180001000001000000002010000000000200020000000000000000000000002000000000000080814000003008c0080800000800000100000100040010020000002000000000060100020110000000000100000000,0100000000f001,0e0040010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000010002002a1618892400018045a517,0,12,30,0,0,2,39,42,-12.499,-3.9530000000000003,0,-1.0,0.005173645,+,1.1138,-,1.1138,https://www.genome.jp/dbget-bin/www_bget?dr:D03089
4462,D07593, Buspirone (INN), Azaspirodecanedione derivatives,N05BE01,NERVOUS SYSTEM,C12(CC(=O)N(C(=O)C1)CCCC[NH+]1CCN(CC1)c1ncccn1)CCCC2,386.51099999999997,2.2432,119.662,70.84,38,1,6,QWCRAEMEVRGPNT-UHFFFAOYSA-O,C21H32N5O2+,O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(CC1)c1ncccn1,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/p+1",-6.2094,-6.0609,-4.7989,-4.7881,-4.6058,-4.5023,1.9651,2.0499,2.3525,3.1748,3.175,D07593_N05BE01,8022000000100240010846011800000800000010000000000000000000000000180010026108802010060436000002000102a00000204000004000000000000004001c0000000000002000001a800004001003500400200080000220000120000000002000200000004000000000000000060004000010000010000102000100,0500000000f021,0a0040020400000000008000400000000000000000009000000000000000000000002600c02a01,000000010000012003d4328f8ae3b0c3d9636d6f1f,0,6,55,2,0,6,60,63,-12.261,-3.8089999999999997,0,-1.0,0.023644891,+,1.9577,-,1.9577,https://www.genome.jp/dbget-bin/www_bget?dr:D07593
4463,D00702, Buspirone hydrochloride (USP), Azaspirodecanedione derivatives,N05BE01,NERVOUS SYSTEM,C12(CC(=O)N(C(=O)C1)CCCC[NH+]1CCN(CC1)c1ncccn1)CCCC2,386.51099999999997,2.2432,119.662,70.84,38,1,6,QWCRAEMEVRGPNT-UHFFFAOYSA-O,C21H32N5O2+,O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(CC1)c1ncccn1,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/p+1",-6.2176,-6.0577,-4.7937,-4.79,-4.5971,-4.5091,1.9914,2.2748,2.352,3.1669,3.1846,D00702_N05BE01,8022000000100240010846011800000800000010000000000000000000000000180010026108802010060436000002000102a00000204000004000000000000004001c0000000000002000001a800004001003500400200080000220000120000000002000200000004000000000000000060004000010000010000102000100,0500000000f021,0a0040020400000000008000400000000000000000009000000000000000000000002600c02a01,000000010000012003d4328f8ae3b0c3d9636d6f1f,0,6,55,2,0,6,60,63,-12.265,-3.806,0,1.0,0.023632659,+,1.9577,-,1.9577,https://www.genome.jp/dbget-bin/www_bget?dr:D00702
4464,D07318, Mephenoxalone (INN), Other anxiolytics,N05BX01,NERVOUS SYSTEM,c1(ccccc1OC)OC[C@H]1OC(=O)NC1,223.225,1.5112,60.1237,56.79,18,1,5,ZMNSRFNUONFLSP-QMMMGPOBSA-N,C11H13NO4,COc1ccccc1OCC1CNC(=O)O1,"InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)/t8-/m0/s1",-5.9998,-5.2727,-3.8407,-3.5304,-2.2163,-1.2838,1.3762,1.4705,1.54,2.0223,2.023,D07318_N05BX01,40030000000000800900060000020000400080000000001002000000000000001800000880000007100d1018000000000000020002088000000000000000220008a01802011020010000000002c08000108000400000200040080000002200000000000000000002008000028010000000062100080710200950400000000004,0000000070b001,000002000000000000000000000000000040000100000000000000000000000000000600402804,0000400000000001800006d60932916508cbe2ff1f,0,6,23,1,0,4,29,30,-9.427999999999999,0.17600000000000002,1,5.0,0.024013293999999998,+,0.4634,-,0.4634,https://www.genome.jp/dbget-bin/www_bget?dr:D07318
4465,D07319, Gedocarnil (INN), Other anxiolytics,N05BX02,NERVOUS SYSTEM,c1(ccc2c(c1)c1c([nH]2)cnc(c1COC)C(=O)OC(C)C)Oc1ccc(cc1)Cl,424.87699999999995,5.8734,116.87700000000001,73.44,26,1,5,ZJUVWPFQSQLERH-UHFFFAOYSA-N,C23H21ClN2O4,COCc1c(ncc2c1c1cc(ccc1[nH]2)Oc1ccc(cc1)Cl)C(=O)OC(C)C,"InChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-18(12-28-3)21-17-10-16(30-15-6-4-14(24)5-7-15)8-9-19(17)26-20(21)11-25-22/h4-11,13,26H,12H2,1-3H3",-4.3029,-2.8701,-2.5899,-2.3937,-2.3605,-1.5884,1.2968,1.2978,1.4661,1.4701,1.5335,D07319_N05BX02,20040200000604c0010c020005024000040020004080180800a800880024040014014080066080a1688b060800004040000242000020210004048002018002080c000c02410006010000f1000688008200880040040008004008000000034010000000000080180600c0000070100c0010020110084100220808000002800000,04000000b03005,018004000000000000009000000000000001000000049400000000000000000000004640403000,0000000000000000014264d45315856520f9f3df1f,0,21,32,1,0,7,51,54,-8.802999999999999,-0.5660000000000001,0,0.0,0.93727845,+,1.2641,-,1.2641,https://www.genome.jp/dbget-bin/www_bget?dr:D07319
4466,D07320, Etifoxine (INN/BAN), Other anxiolytics,N05BX03,NERVOUS SYSTEM,c1c(cc2c(c1)[NH]=C(O[C@]2(C)c1ccccc1)NCC)Cl,301.791,4.2714,90.4794,45.11,21,2,2,MGUFETNGOODVLA-QGZVFWFLSA-N,C17H18ClN2O,CCNC1=[NH]c2ccc(cc2C(O1)(C)c1ccccc1)Cl,"InChI=1S/C17H18ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11,19-20H,3H2,1-2H3/t17-/m1/s1",-7.3648,-6.0541,-5.0578,-4.2008,-3.8601,-3.818,2.1796,2.3957,2.7345,2.8201,2.8845,D07320_N05BX03,00070220000000c202088600900280052008206000000840022000a800280800110140000800002230010108000000400000004080080801010400020008000008003a82c00002800800014004900002219a004c0408201846080800400700000000400180000004084008000000000000060100000100000000421442800001,0000000030b021,010040100000000000000000000000000040000000040000000000000000000000004640402804,0000000010040021023042025ba7d20174a1d1bd1f,0,12,28,1,0,3,39,41,-12.895,-4.832,1,0.0,0.06994292099999999,+,0.4658,-,0.4658,https://www.genome.jp/dbget-bin/www_bget?dr:D07320
4467,D07930, Etifoxine hydrochloride, Other anxiolytics,N05BX03,NERVOUS SYSTEM,c1c(cc2c(c1)[NH]=C(O[C@]2(C)c1ccccc1)NCC)Cl,301.791,4.2714,90.4794,45.11,21,2,2,MGUFETNGOODVLA-QGZVFWFLSA-N,C17H18ClN2O,CCNC1=[NH]c2ccc(cc2C(O1)(C)c1ccccc1)Cl,"InChI=1S/C17H18ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11,19-20H,3H2,1-2H3/t17-/m1/s1",-7.3729,-6.0648,-5.0615,-4.2010000000000005,-3.8593,-3.8254,2.185,2.3861,2.7354,2.8213,2.8982,D07930_N05BX03,00070220000000c202088600900280052008206000000840022000a800280800110140000800002230010108000000400000004080080801010400020008000008003a82c00002800800014004900002219a004c0408201846080800400700000000400180000004084008000000000000060100000100000000421442800001,0000000030b021,010040100000000000000000000000000040000000040000000000000000000000004640402804,0000000010040021023042025ba7d20174a1d1bd1f,0,12,28,1,0,3,39,41,-12.873,-4.772,1,0.0,0.07002028099999999,+,0.4658,-,0.4658,https://www.genome.jp/dbget-bin/www_bget?dr:D07930
4468,D00499, Pentobarbital (USP/INN)," Barbiturates, plain",N05CA01,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)([C@@H](CCC)C)CC,226.27200000000002,1.8426,67.0394,75.27,23,2,5,WEXRUCMBJFQVBZ-SSDOTTSWSA-N,C11H18N2O3,CCCC(C1(CC)C(=O)NC(=O)NC1=O)C,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1",-4.6378,-3.7983,-3.7966,-3.5755,-3.5713,-2.9409,1.8029,1.8222,1.8319,1.8615,2.3209999999999997,D00499_N05CA01,0002000000000a00110204000000000000000010000000000000000000200100180010000000000010060d1000010200010000001020000001000000000000000000000000000000000000000890000d0010014000002000800100000001000000200000040000000000000000000000000c0000000010000010000100000100,0400000000a041,0f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000000100410000290000f03aabec1857176ee1d,0,0,31,3,0,4,34,34,-11.289000000000001,-0.39,1,,0.046922039000000006,-,1.1109,-,1.1109,https://www.genome.jp/dbget-bin/www_bget?dr:D00499
4469,D00500, Pentobarbital sodium (JAN/USP)," Barbiturates, plain",N05CA01,NERVOUS SYSTEM,[C@]1(C(=O)NC(=[NH]C1=O)O)([C@@H](CCC)C)CC,227.28,1.368,69.2792,90.25,23,3,4,UOUSOWJKCMXSRE-RDDDGLTNSA-N,C11H19N2O3,CCCC(C1(CC)C(=O)NC(=[NH]C1=O)O)C,"InChI=1S/C11H19N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t7-,11-/m1/s1",-6.4705,-6.4546,-6.2478,-6.2174,-5.9981,-5.9849,2.7892,2.8983,2.989,4.5504,4.5603,D00500_N05CA01,000240001800028c110004101000000a000000900010414000000000004000003020100201800000d006003200200100010008001020100018000000000800000800118000000000080000000880000c011001401000201082011000000300000000000000000100008000000000000000040000000010000000000140000100,0400000c00a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000001004100002b0000f03aafec1857576fe1d,0,0,32,3,0,4,35,35,-11.293,-0.382,1,1.0,9.868319999999999e-05,-,0.9694,-,0.9694,https://www.genome.jp/dbget-bin/www_bget?dr:D00500
4470,D02253, Pentobarbital calcium (JP17)," Barbiturates, plain",N05CA01,NERVOUS SYSTEM,[C@]1(C(=O)NC(=[NH]C1=O)O)([C@@H](CCC)C)CC,227.28,1.368,69.2792,90.25,23,3,4,UOUSOWJKCMXSRE-RDDDGLTNSA-N,C11H19N2O3,CCCC(C1(CC)C(=O)NC(=[NH]C1=O)O)C,"InChI=1S/C11H19N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t7-,11-/m1/s1",-6.4727,-6.4498,-6.2494,-6.2146,-5.9909,-5.9907,2.7887,2.898,2.9883,4.5514,4.5601,D02253_N05CA01,000240001800028c110004101000000a000000900010414000000000004000003020100201800000d006003200200100010008001020100018000000000800000800118000000000080000000880000c011001401000201082011000000300000000000000000100008000000000000000040000000010000000000140000100,0400000c00a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000001004100002b0000f03aafec1857576fe1d,0,0,32,3,0,4,35,35,-11.290999999999999,-0.384,1,-2.0,9.86266e-05,-,0.9694,-,0.9694,https://www.genome.jp/dbget-bin/www_bget?dr:D02253
4471,D00555, Amobarbital (JP17/INN)," Barbiturates, plain",N05CA02,NERVOUS SYSTEM,[C@]1(C(=O)NC(=[NH]C1=O)O)(CCC(C)C)CC,227.28,1.368,69.2792,90.25,24,3,4,WDZCDJBHFAKLJQ-LLVKDONJSA-N,C11H19N2O3,CCC1(CCC(C)C)C(=O)NC(=[NH]C1=O)O,"InChI=1S/C11H19N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t11-/m1/s1",-6.4694,-6.4471,-6.247999999999999,-6.2161,-6.0066,-6.0019,2.7878,2.8984,2.9841,4.5483,4.5598,D00555_N05CA02,000240001800028c110004101000000a000000900010414000000000004000003020100201800000d006003200200100010008001020100018000000000800000800118000000000080000000880000c011001401000201082011000000300000000000000000100008000000000000000040000000010000000000140000100,0400000c00a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000001004100002b2000f03aafe41857576fe1d,0,0,32,3,0,4,35,35,-13.92,-6.356,0,-1.0,6.53278e-05,-,0.9657,-,0.9657,https://www.genome.jp/dbget-bin/www_bget?dr:D00555
4472,D02252, Amobarbital sodium (JAN/USP)," Barbiturates, plain",N05CA02,NERVOUS SYSTEM,[C@]1(C(=O)NC(=[NH]C1=O)O)(CCC(C)C)CC,227.28,1.368,69.2792,90.25,23,3,4,WDZCDJBHFAKLJQ-LLVKDONJSA-N,C11H19N2O3,CCC1(CCC(C)C)C(=O)NC(=[NH]C1=O)O,"InChI=1S/C11H19N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7,12,16H,4-6H2,1-3H3,(H,13,15)/t11-/m1/s1",-6.4675,-6.4476,-6.2509,-6.2179,-5.9958,-5.9934,2.7877,2.8986,2.984,4.55,4.5607,D02252_N05CA02,000240001800028c110004101000000a000000900010414000000000004000003020100201800000d006003200200100010008001020100018000000000800000800118000000000080000000880000c011001401000201082011000000300000000000000000100008000000000000000040000000010000000000140000100,0400000c00a001,0f0000000000000000008000000000000040000000000000000000000000000000000440403804,000000001004100002b2000f03aafe41857576fe1d,0,0,32,3,0,4,35,35,-11.298,-0.41,0,,9.32407e-05,-,0.9625,-,0.9625,https://www.genome.jp/dbget-bin/www_bget?dr:D02252
4473,D02618, Butobarbital (BAN)," Barbiturates, plain",N05CA03,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CCCC)CC,212.24599999999998,1.5966,62.2324,75.27,21,2,5,STDBAQMTJLUMFW-UHFFFAOYSA-N,C10H16N2O3,CCCCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",-4.6263,-3.7978,-3.7972,-3.5819,-3.5817,-2.9409,1.7905,1.8269,1.8304,1.8530000000000002,2.3395,D02618_N05CA03,0002000000000a00110204000000000000000010000000000000000000200100180010000000000010060d1000010200010000001020000001000000000000000000000000000000000000000890000d0010014000002000800100000001000000200000040000000000000000000000000c0000000010000010000100000100,0400000000a041,0b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100410000290000f03aabec1856176ee1d,0,0,28,3,0,4,31,31,-11.315,-0.42,0,,0.045150670999999996,-,0.8272,-,0.8272,https://www.genome.jp/dbget-bin/www_bget?dr:D02618
4474,D01740, Barbital (JP17/INN)," Barbiturates, plain",N05CA04,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CC)CC,184.192,0.8164,52.6184,75.27,17,2,5,FTOAOBMCPZCFFF-UHFFFAOYSA-N,C8H12N2O3,CCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",-4.6179,-3.8015,-3.7999,-3.5822,-3.5808,-2.9372,1.788,1.825,1.8323,1.8597,2.3357,D01740_N05CA04,0002000000000800110204000000000000000010000000000000000000200100180000000000000000060d1000010200010000001000000001000000000000000000000000000000000000000090000d0010004000002000800100000001000000200000040000000000000000000000000c0000000010000010000100000000,0400000000a041,0b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100410000290000b03a29a41846172ee1d,0,0,22,3,0,2,25,25,-11.354000000000001,-0.42200000000000004,0,,0.019803414,+,0.8153,+,0.8153,https://www.genome.jp/dbget-bin/www_bget?dr:D01740
4475,D00698, Aprobarbital  (INN)," Barbiturates, plain",N05CA05,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CC=C)C(C)C,210.23,1.2285,61.7584,75.27,19,2,5,UORJNBVJVRLXMQ-UHFFFAOYSA-N,C10H14N2O3,C=CCC1(C(C)C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",-4.6279,-3.7955,-3.7943,-3.5837,-3.5826,-2.9419,1.7934,1.8191,1.8256,1.8404,2.323,D00698_N05CA05,0002000000000804110204800000000000000090000000000000000000200100180000000000000000060d1000010200010000001000000001000000004000000000000000040000000000000090000d0010004000002000800110000001001000240000040000000000000000000000000c0000000010000010000100000000,0400000000a041,1f0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000120410000292000b07a29841846172ee1d,0,0,25,4,0,3,29,29,-10.429,-0.445,0,1.0,0.029840538,-,0.8740000000000001,-,0.8740000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D00698
4476,D00430, Secobarbital (USP/INN)," Barbiturates, plain",N05CA06,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)([C@@H](CCC)C)CC=C,238.283,2.0087,71.3724,75.27,23,2,5,KQPKPCNLIDLUMF-MRVPVSSYSA-N,C12H18N2O3,CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/t8-/m1/s1",-4.6494,-3.8032,-3.7985,-3.5761,-3.5692,-2.9382,1.7992,1.8305,1.8457,1.8848,2.3313,D00430_N05CA06,0002000000000a24110204800000000000000090000000000000000000200100180010000000000010060d1000010200010000001020000001000000004000000000000000040000000000000890000d0010014000002000800110000001001000240000040000000000000000000000000c0000000010000010000100000100,0400000000a041,1f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000000120410000290000f07a2bec1856176ee1d,0,0,31,4,0,5,35,35,-10.552999999999999,-0.39399999999999996,1,1.0,0.07971484200000001,-,1.1583,-,1.1583,https://www.genome.jp/dbget-bin/www_bget?dr:D00430
4477,D01310, Secobarbital sodium (JAN/USP)," Barbiturates, plain",N05CA06,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CC=C)[C@H](CCC)C,238.283,2.0087,71.3724,75.27,22,2,5,KQPKPCNLIDLUMF-QMMMGPOBSA-N,C12H18N2O3,CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/t8-/m0/s1",-4.6391,-3.799,-3.7988,-3.5805,-3.5786,-2.9411,1.7938,1.835,1.8359,1.8708,2.3464,D01310_N05CA06,0002000000000a24110204800000000000000090000000000000000000200100180010000000000010060d1000010200010000001020000001000000004000000000000000040000000000000890000d0010014000002000800110000001001000240000040000000000000000000000000c0000000010000010000100000100,0400000000a041,1f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000000120410000290000f07a2bec1856176ee1d,0,0,31,4,0,5,35,35,-10.667,-7.776,2,,0.022646841,-,1.0859,-,1.0859,https://www.genome.jp/dbget-bin/www_bget?dr:D01310
4478,D06887, Talbutal (INN)," Barbiturates, plain",N05CA07,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)([C@@H](CC)C)CC=C,224.25599999999997,1.6186,66.5654,75.27,21,2,5,BJVVMKUXKQHWJK-SSDOTTSWSA-N,C11H16N2O3,CCC(C1(CC=C)C(=O)NC(=O)NC1=O)C,"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)/t7-/m1/s1",-4.6458,-3.804,-3.7959,-3.5791,-3.5713,-2.9388,1.7994,1.8215,1.8451,1.8756,2.3225,D06887_N05CA07,0002000000000824110204800000000000000090000000000000000000200100180010000000000000060d1000010200010000001020000001000000004000000000000000040000000000000090000d0010014000002000800110000001001000240000040000000000000000000000000c0000000010000010000100000100,0400000000a041,1f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000000120410000290000f07aa9e41856172ee1d,0,0,28,4,0,4,32,32,-10.527999999999999,-0.39299999999999996,1,0.0,0.044825817999999996,-,1.0959,+,1.0959,https://www.genome.jp/dbget-bin/www_bget?dr:D06887
4479,D07321, Vinylbital (INN)," Barbiturates, plain",N05CA08,NERVOUS SYSTEM,N1C(=O)NC(=O)C(C1=O)(C=C)[C@@H](C)CCC,224.25599999999997,1.6186,66.5654,75.27,21,2,5,KGKJZEKQJQQOTD-ZETCQYMHSA-N,C11H16N2O3,CCCC(C1(C=C)C(=O)NC(=O)NC1=O)C,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)/t7-/m0/s1",-4.6315,-3.7909,-3.7867,-3.59,-3.5892,-2.9422,1.8036,1.8207,1.8221,1.8247,2.3231,D07321_N05CA08,0002000000000824110204000000000000000090000000000000000000200100180010000000000010060d1000010200010000001020004001000000000000000000000000040000000000000890000d0010014000002000800110004001000000240000040008000000000000000000000c0000000010000010000900000100,0400000000a041,1f0000000000000000008000000000000040040000000000000000000000000000000400402804,00000000120410000290000d07a2be41846176ee1d,0,0,28,4,0,4,32,32,-10.783,-0.391,1,2.0,0.042344405999999994,-,1.0693,-,1.0693,https://www.genome.jp/dbget-bin/www_bget?dr:D07321
4480,D07322, Vinbarbital (INN)," Barbiturates, plain",N05CA09,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(/C(=C/CC)/C)CC,224.25599999999997,1.7627,66.5654,75.27,21,2,5,RAFOHKSPUDGZPR-VOTSOKGWSA-N,C11H16N2O3,CCC=C(C1(CC)C(=O)NC(=O)NC1=O)C,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+",-4.626,-3.7935,-3.7933,-3.5839,-3.5828,-2.9337,1.7917,1.8178,1.8202,1.8254,2.3176,D07322_N05CA09,0002000000000804110604000000000000000090000040000000000000202100180000000080000000060d1000010200010000001000004041000000000000000000000000000000000000000090020d0010004100002000800110004001000002240000440008000000000000000000000c0000000090000010000900000000,0400000000a041,1b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100412000298000b07a29ac1847172ee1d,0,0,28,4,0,3,32,32,-10.004,-0.359,0,0.0,0.050453782,-,0.9507,-,0.9507,https://www.genome.jp/dbget-bin/www_bget?dr:D07322
4481,D07323, Cyclobarbital (INN)," Barbiturates, plain",N05CA10,NERVOUS SYSTEM,C1CCCC(=C1)C1(C(=O)NC(=O)NC1=O)CC,236.267,1.9068,69.2584,75.27,21,2,5,WTYGAUXICFETTC-UHFFFAOYSA-N,C12H16N2O3,CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",-4.6285,-3.7924,-3.7917,-3.5869999999999997,-3.5836,-2.9394,1.7947,1.8185,1.8215,1.8272,2.3169,D07323_N05CA10,0002000000000a04110604000000000000000090004040000000000000202100180010000080000010060d1000010200010000001020004061000000000000000000000000040000000000000890020d0010014100002000800110004001000002240000440008000000000000000000000c0000000090000010000900000100,0400000000a041,1b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100412200298000f07aab2c1856167ee1d,0,0,30,4,0,2,33,34,-10.041,-0.408,0,0.0,0.078532666,-,1.0859,-,1.0859,https://www.genome.jp/dbget-bin/www_bget?dr:D07323
4482,D07757, Cyclobarbital calcium (BAN)," Barbiturates, plain",N05CA10,NERVOUS SYSTEM,C1CCCC(=C1)C1(C(=O)NC(=O)NC1=O)CC,236.267,1.9068,69.2584,75.27,21,2,5,WTYGAUXICFETTC-UHFFFAOYSA-N,C12H16N2O3,CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",-4.6267,-3.7922,-3.7911,-3.5867,-3.5867,-2.9384,1.7949,1.8162,1.8185,1.8196,2.32,D07757_N05CA10,0002000000000a04110604000000000000000090004040000000000000202100180010000080000010060d1000010200010000001020004061000000000000000000000000040000000000000890020d0010014100002000800110004001000002240000440008000000000000000000000c0000000090000010000900000100,0400000000a041,1b0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000100412200298000f07aab2c1856167ee1d,0,0,30,4,0,2,33,34,-10.043,-0.41,0,1.0,0.07848709799999999,-,1.0859,-,1.0859,https://www.genome.jp/dbget-bin/www_bget?dr:D07757
4483,D02817, Allobarbital (USAN/INN)," Barbiturates, plain",N05CA21,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CC=C)CC=C,208.21400000000003,1.1486,61.2844,75.27,17,2,5,FDQGNLOWMMVRQL-UHFFFAOYSA-N,C10H12N2O3,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",-4.6333,-3.7968,-3.795,-3.5804,-3.5799,-2.9376,1.7930000000000001,1.8205,1.8331,1.8535,2.3278,D02817_N05CA21,0002000000000804110204800000000000000090000200000000000000200100180000000000000000060d1000010200010000001000000001000000004000000000000000040000000000000090000d0010004000002000800110000001001000240000040000000000000000000000000c0000000010000010000100000000,0400000000a041,1a0000000000000000008000000000000040040000000000000000000000000000000400402800,00000000120410000290000b07a290418461626e1d,0,0,22,5,0,4,27,27,-10.274000000000001,-0.455,0,1.0,0.033532035,+,0.8712,+,0.8712,https://www.genome.jp/dbget-bin/www_bget?dr:D02817
4484,D07324, Proxibarbal (INN)," Barbiturates, plain",N05CA22,NERVOUS SYSTEM,C1(C(=O)NC(=O)NC1=O)(CC=C)C[C@H](O)C,226.229,0.3434,62.9202,95.5,20,3,6,VNLMRPAWAMPLNZ-ZCFIWIBFSA-N,C10H14N2O4,C=CCC1(CC(O)C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)/t6-/m1/s1",-4.5903,-3.806,-3.8041,-3.5868,-3.5842,-2.9337,1.8257,1.8316,1.8649,1.9795,2.3327,D07324_N05CA22,000a000000000824110204800000000000000090000000000000000000200100180010000000000100060d1000010200010000001020400001000000004000000800080000040000000000000090000d0010014000002000880110000001001000240000040000000000000000001800000c0000000010000010000100000500,0400002c00a041,1b2800000000000000008000000000000040040000000000000000000000000000000400402804,00000000120410000290000f87aa94418c6de2fe1d,0,0,26,4,0,4,30,30,-10.533,-0.379,1,2.0,0.015404115,-,1.001,+,1.001,https://www.genome.jp/dbget-bin/www_bget?dr:D07324
4485,D00265, Chloral hydrate (JP17/USP), Aldehydes and derivatives,N05CC01,NERVOUS SYSTEM,C(O)(O)C(Cl)(Cl)Cl,165.403,0.6673,28.4776,40.46,5,2,2,RNFNDJAIBTYOQL-UHFFFAOYSA-N,C2H3Cl3O2,OC(C(Cl)(Cl)Cl)O,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",-3.8551,-3.8486,-3.4044,-3.3914,-2.0278,-2.0213,1.5182,1.6636,1.6771,1.9551,2.9414,D00265_N05CC01,0000020000000000000000000000000000000000000000000000000840000000000000000000000000010000000000000000000000000000000000000000000008002800000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000800,0000000c00a000,800000000002004000000000000000000000000000000000000000000000000000000000402000,000000000004000000000000408600042404005008,0,0,9,0,0,1,10,9,-11.517000000000001,-0.795,0,,0.003654111,+,1.3724,-,1.3724,https://www.genome.jp/dbget-bin/www_bget?dr:D00265
4486,D07325, Chloralodol (INN), Aldehydes and derivatives,N05CC02,NERVOUS SYSTEM,C(C[C@@H](O[C@@H](C(Cl)(Cl)Cl)O)C)(O)(C)C,265.562,2.2411,58.4426,49.69,18,2,3,QVFWZNCVPCJQOP-WDSKDSINSA-N,C8H15Cl3O3,CC(CC(O)(C)C)OC(C(Cl)(Cl)Cl)O,"InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3/t5-,6-/m0/s1",-3.8358,-3.4465,-3.1461,-2.8197,-2.0292,-2.0164,1.1696,1.4516,1.6685,1.9294,2.3486,D07325_N05CC02,000002000000a000000000000002000040000020000000000000000840040000100000000000000100010000200000000100000000004001000000000000000008102800000000000000000000000000008000400000000020000001000000000000000000080000000000004000000200010100000000000100000100000800,0000004c30a000,834800000000004100000000000000000000000000000000000000000000000000000000402004,000000000000000002020005c08604242c1492d408,0,0,28,0,0,5,29,28,-11.262,-0.5,2,-1.0,,+,1.2341,-,1.2341,https://www.genome.jp/dbget-bin/www_bget?dr:D07325
4487,D03785, Dichloralphenazone (USP), Aldehydes and derivatives,N05CC04,NERVOUS SYSTEM,c1cccc(c1)n1n(C)c(cc1=O)C,188.226,1.4844,56.257,26.93,13,0,3,VEQOALNAAJBPNY-UHFFFAOYSA-N,C11H12N2O,O=c1cc(n(n1c1ccccc1)C)C,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",-4.1411,-1.8823,-1.7644,-0.9939,-0.8129,-0.6608,0.4804,0.5396,0.5883,0.7737,0.9488,D03785_N05CC04,a00600800000064008004600040100040008080020000200000000c00000000000003083000880202880011880000040000022000000400000808002000080000c200c004000000000004000008880000080004004000001c0080180040100060010000002000400024000000000080100060100000100200802000006000004,00000000003001,010000000000000000008000200000004003000000008900000000000000000000000640403000,0000000000000820018404f80120914b50e138aa1f,0,11,15,1,0,1,26,27,-8.74,0.157,0,,0.01973515,+,0.3012,-,0.3012,https://www.genome.jp/dbget-bin/www_bget?dr:D03785
4488,D00705, Paraldehyde (USP), Aldehydes and derivatives,N05CC05,NERVOUS SYSTEM,[C@@H]1(O[C@H](O[C@H](O1)C)C)C,132.158,1.0878,32.097,27.69,15,0,3,SQYNKIJPMDEDEG-FPFOFBBKSA-N,C6H12O3,CC1OC(C)OC(O1)C,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3/t4-,5+,6-",-3.2022,-3.2007,-3.1989,-3.1986,-3.198,-3.1979,1.8956,1.8967,1.8969,1.8996,1.8996,D00705_N05CC05,00000000000000000000000000020000000000240000000000000000000400000000000000000000100000000000000000000000000000000000000000000000080028000000000000000000000000000080015000000000a0000000000020000000000800000000000000000000000000000000000000000000000000000000,00000000302001,010000000000804000000000000000000000000000000000000000000000000000000400400004,00000000000000010000000102008004001112d01c,0,0,21,0,0,0,21,21,-10.295,1.984,0,,0.018521396000000002,+,0.4879,+,0.4879,https://www.genome.jp/dbget-bin/www_bget?dr:D00705
4489,D00329, Flurazepam (JAN/INN), Benzodiazepine derivatives,N05CD01,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)CC[NH+](CC)CC)c1ccccc1F,388.88599999999997,2.0884,116.098,37.11,27,1,3,SAADBVWGJQAEFS-UHFFFAOYSA-O,C21H24ClFN3O+,CC[NH+](CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3/p+1",-5.9712,-4.6227,-4.5748,-4.5516,-3.7802,-2.7954,1.6585,1.6987,1.7833,1.8837,2.0051,D00329_N05CD01,000602228000004003840e00988008088110004510000840000000a0802000001a004012022000604007002800201040000000000080000801000002008a2403000018004000868000b010002680000200ac004024002808450e090000030000080024010000001450000800200000400006010e600130000020040442c00000,0500000000f001,0100400204000800000080002000000000000000000c0000000000000000000000004640c02a00,000004000002012000e47248d86dfac369e37daf1f,1,12,39,2,0,6,51,53,-11.818,-4.047,0,,0.025488496,-,0.9704,-,0.9704,https://www.genome.jp/dbget-bin/www_bget?dr:D00329
4490,D00695, Flurazepam hydrochloride (USP), Benzodiazepine derivatives,N05CD01,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)CC[NH+](CC)CC)c1ccccc1F,388.88599999999997,2.0884,116.098,37.11,27,1,3,SAADBVWGJQAEFS-UHFFFAOYSA-O,C21H24ClFN3O+,CC[NH+](CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3/p+1",-5.9771,-4.5772,-4.5656,-4.5516,-3.7279,-2.8205,1.6849,1.692,1.7681,1.9287,2.0171,D00695_N05CD01,000602228000004003840e00988008088110004510000840000000a0802000001a004012022000604007002800201040000000000080000801000002008a2403000018004000868000b010002680000200ac004024002808450e090000030000080024010000001450000800200000400006010e600130000020040442c00000,0500000000f001,0100400204000800000080002000000000000000000c0000000000000000000000004640c02a00,000004000002012000e47248d86dfac369e37daf1f,1,12,39,2,0,6,51,53,-11.821,-4.046,0,1.0,0.025508424,-,0.9704,-,0.9704,https://www.genome.jp/dbget-bin/www_bget?dr:D00695
4491,D01408, Flurazepam hydrochloride (JP17), Benzodiazepine derivatives,N05CD01,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)Cl)CC[NH+](CC)CC)c1ccccc1F,388.88599999999997,2.0884,116.098,37.11,27,1,3,SAADBVWGJQAEFS-UHFFFAOYSA-O,C21H24ClFN3O+,CC[NH+](CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3/p+1",-6.0255,-4.582,-4.5457,-4.5245,-3.7542,-2.7809,1.6604,1.6996,1.7309,1.9913,2.0985,D01408_N05CD01,000602228000004003840e00988008088110004510000840000000a0802000001a004012022000604007002800201040000000000080000801000002008a2403000018004000868000b010002680000200ac004024002808450e090000030000080024010000001450000800200000400006010e600130000020040442c00000,0500000000f001,0100400204000800000080002000000000000000000c0000000000000000000000004640c02a00,000004000002012000e47248d86dfac369e37daf1f,1,12,39,2,0,6,51,53,-11.819,-4.046,0,-2.0,0.025492404,-,0.9704,-,0.9704,https://www.genome.jp/dbget-bin/www_bget?dr:D01408
4492,D00531, Nitrazepam (JP17/USAN/INN), Benzodiazepine derivatives,N05CD02,NERVOUS SYSTEM,C1(=NCC(=O)Nc2c1cc(cc2)[N](=O)O)c1ccccc1,282.274,2.3725,85.2812,91.12,17,2,3,PDKMYXAGMUVPJM-UHFFFAOYSA-N,C15H12N3O3,O=C1CN=C(c2c(N1)ccc(c2)[N](=O)O)c1ccccc1,"InChI=1S/C15H12N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)(H,20,21)",-5.3043,-4.2999,-3.7929,-3.2684,-2.8772,-2.3301,1.6559,1.6781,1.8065,1.9997,2.049,D00531_N05CD02,0006013480000040038006009880480aa030004510000040000000e08000040010044000002000224006042800201240000000000080000801000002008824001000180040011620008010000080010000a400402400280c610e0900000340140000240100000410400008002000004000060108211120001010040002400008,0500000000f001,000000000000080000008000200000000000000000000000000000000000000000004640c03a00,000084000000816070e00068b861d04bdee54b6b1f,0,12,20,3,0,2,33,35,-10.092,-1.9780000000000002,0,,0.754890084,+,0.6732,-,0.6732,https://www.genome.jp/dbget-bin/www_bget?dr:D00531
4493,D01230, Flunitrazepam (JP17/USAN/INN), Benzodiazepine derivatives,N05CD03,NERVOUS SYSTEM,C1(=NCC(=O)N(c2c1cc(cc2)[N](=O)O)C)c1ccccc1F,314.291,2.4629,90.1405,82.33,18,1,3,CEHLHJZNBWXJEH-UHFFFAOYSA-N,C16H13FN3O3,CN1C(=O)CN=C(c2c1ccc(c2)[N](=O)O)c1ccccc1F,"InChI=1S/C16H13FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,22,23)",-5.3031,-4.2975,-3.7932,-2.7876,-2.3434,-2.1552,1.5685,1.6502,1.6965,1.7131,2.0509,D01230_N05CD03,000601348000004003800e009880480aa130004510000040000000e08000040010044010002000624006042800201240000000000080000801000002008a24011000180040019620009010002080010000a400402400280c610e090000034014000024010000041050000800200000400006010a211130001010040042400008,0500000000f001,000000000000080000008000200000000000000000080000000000000000000000004640c02a00,000084000002816070e450783865d84bfae52beb1f,1,12,23,3,0,2,36,38,-10.169,-1.9869999999999999,0,0.0,0.718869925,+,0.7090000000000001,-,0.7090000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01230
4494,D00311, Estazolam (JP17/USAN/INN), Benzodiazepine derivatives,N05CD04,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)cnn2)c1ccccc1,294.738,2.7073,85.685,43.07,14,0,4,CDCHDCWJMGXXRH-UHFFFAOYSA-N,C16H11ClN4,Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",-2.9375,-2.1589,-1.0741,-0.8263,-0.7212,-0.7206,0.5262,0.7132,0.7559,0.7996,0.966,D00311_N05CD04,000426a4800004c0020c86009c0000000100024040000840c00400e000208000100140000000006100810128000002400000240000004000050200020088000a8c240c00400006800882000084080002008c0044240101094508080000010000011420010000801404008800400000418006019800052040190004040a808000,00000000003001,000000000000080000000000000000000000000000049800000000000000000000004640403000,000004002000082001f054a05845c00b60a1092917,0,17,17,1,0,1,32,35,-9.963,-1.109,0,1.0,0.579591751,+,0.856,-,0.856,https://www.genome.jp/dbget-bin/www_bget?dr:D00311
4495,D00387, Triazolam (JAN/USP/INN), Benzodiazepine derivatives,N05CD05,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nn2)C)c1ccccc1Cl,343.21,3.6691,95.661,43.07,15,0,4,JOFWLTCLBGQGBO-UHFFFAOYSA-N,C17H12Cl2N4,Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",-2.9337,-2.1608,-1.0769,-0.8288,-0.7199,-0.7197,0.5334,0.7162,0.763,0.7982,0.9715,D00387_N05CD05,000426a4800004c4020c86009c0000008110024040000840c00600e010208000100140000000006100a10128000402400000240000004000050282120088000a8c240c00400006800882000084080002008c0044240101094508280000010000011420010000801406008800404000418006019800052040190004040a808000,00000000003001,010000000000080000000000000000000000000000049800000000000000000000004640403000,000004002000082001f054a0584dc00b60a129a917,0,17,20,1,0,1,35,38,-9.908,-1.281,0,,0.8818832040000001,+,1.1049,-,1.1049,https://www.genome.jp/dbget-bin/www_bget?dr:D00387
4496,D01657, Lormetazepam (JAN/USAN/INN), Benzodiazepine derivatives,N05CD06,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)N(c2c1cc(cc2)Cl)C)O)c1ccccc1Cl,335.185,2.6262,94.1228,52.9,16,1,4,FJIKWRGCXUCUIG-OAHLLOKOSA-N,C16H12Cl2N2O2,Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3/t15-/m1/s1",-4.0671,-4.0344,-3.7742,-2.7906,-2.3377,-2.2162,1.6195,1.6980000000000002,1.7202,1.7883,2.8207,D01657_N05CD06,000602228000004403840600988008088010044510000848000200a08020000010004000002000224007002800241040000000000080000801008052008824020800180040000680008050000480000200ec004024002808450e290001030000000124010000001440002800a040044000060108201120000000040402c00000,0400000c00b001,000000000000080000008000200000000000000000040000000000000000000000004640402804,000004000000002080e450585025d04360e529fa1f,0,12,22,2,0,1,34,36,-9.324,-1.5419999999999998,1,,0.668023765,+,0.5818,-,0.5818,https://www.genome.jp/dbget-bin/www_bget?dr:D01657
4497,D00370, Temazepam (USP/INN), Benzodiazepine derivatives,N05CD07,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)N(c2c1cc(cc2)Cl)C)O)c1ccccc1,300.74,1.9728,89.1128,52.9,17,1,4,SEQDDYPDSLOBDC-OAHLLOKOSA-N,C16H13ClN2O2,Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3/t15-/m1/s1",-4.0675,-4.0305,-3.7748,-2.7896,-2.3324,-2.2123,1.619,1.6975,1.7167,1.7879,2.8176,D00370_N05CD07,000602228000004003840600988008088010044510000848000000a08020000010004000002000224007002800201040000000000080000801000002008824020800180040000680008050000480000200ec004024002808450e090001030000000124010000001440002800a000044000060108201120000000040402c00000,0400000c00b001,000000000000080000008000200000000000000000040000000000000000000000004640402804,000004000000002080e450585025d04360e529fa1f,0,12,22,2,0,1,34,36,-9.679,-0.87,1,1.0,0.38372612,+,0.4965,-,0.4965,https://www.genome.jp/dbget-bin/www_bget?dr:D00370
4498,D00550, Midazolam (JAN/USP/INN), Benzodiazepine derivatives,N05CD08,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nc2)C)c1ccccc1F,325.767,3.7598,92.814,30.18,15,0,3,DDLIGBOFAVUZHB-UHFFFAOYSA-N,C18H13ClFN3,Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",-2.9422,-2.1584,-1.3788,-1.1857,-1.129,-1.0787,0.6382,0.7189,0.7979,1.1983,1.2638,D00550_N05CD08,000602a404000440028cce009c0800040110004000800840c00400e00020840010094091c000006100810138010002c0000000400000c08001020202080a000b84000c004000868008921000a4180002008c80400c80034955180800000100100110200100d0001412000800600000409006019a00053040110084044a808000,00000000003001,0100000000000800000000000000000000000000000c9800000000000000000000004640403000,000004002002002001f05480584dc00360a129a917,1,17,21,1,0,1,36,39,-9.201,-1.023,0,-1.0,0.8846952920000001,-,1.2209999999999999,-,1.2209999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D00550
4499,D00696, Midazolam hydrochloride (USAN), Benzodiazepine derivatives,N05CD08,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nc2)C)c1ccccc1F,325.767,3.7598,92.814,30.18,15,0,3,DDLIGBOFAVUZHB-UHFFFAOYSA-N,C18H13ClFN3,Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",-2.9422,-2.1584,-1.3788,-1.1857,-1.129,-1.0787,0.6382,0.7189,0.7979,1.1983,1.2638,D00696_N05CD08,000602a404000440028cce009c0800040110004000800840c00400e00020840010094091c000006100810138010002c0000000400000c08001020202080a000b84000c004000868008921000a4180002008c80400c80034955180800000100100110200100d0001412000800600000409006019a00053040110084044a808000,00000000003001,0100000000000800000000000000000000000000000c9800000000000000000000004640403000,000004002002002001f05480584dc00360a129a917,1,17,21,1,0,1,36,39,-9.202,-1.026,0,1.0,0.88473475,-,1.2209999999999999,-,1.2209999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D00696
4500,D05028, Midazolam maleate (USAN), Benzodiazepine derivatives,N05CD08,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)Cl)c(nc2)C)c1ccccc1F,325.767,3.7598,92.814,30.18,15,0,3,DDLIGBOFAVUZHB-UHFFFAOYSA-N,C18H13ClFN3,Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",-2.9422,-2.1584,-1.3788,-1.1857,-1.129,-1.0787,0.6382,0.7189,0.7979,1.1983,1.2638,D05028_N05CD08,000602a404000440028cce009c0800040110004000800840c00400e00020840010094091c000006100810138010002c0000000400000c08001020202080a000b84000c004000868008921000a4180002008c80400c80034955180800000100100110200100d0001412000800600000409006019a00053040110084044a808000,00000000003001,0100000000000800000000000000000000000000000c9800000000000000000000004640403000,000004002002002001f05480584dc00360a129a917,1,17,21,1,0,1,36,39,-9.202,-1.021,0,1.0,0.884758055,-,1.2209999999999999,-,1.2209999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D05028
4501,D01744, Brotizolam (JP17/USAN/INN), Benzodiazepine derivatives,N05CD09,NERVOUS SYSTEM,C1(=NCc2n([C@@H]3[C@H]1C=C(S3)Br)c(nn2)C)c1ccccc1Cl,395.705,3.7763,97.711,68.37,16,0,5,QOPLLZDCYUZSDV-BONVTDFDSA-N,C15H12BrClN4S,BrC1=CC2C(S1)n1c(CN=C2c2ccccc2Cl)nnc1C,"InChI=1S/C15H12BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6,10,15H,7H2,1H3/t10-,15-/m0/s1",-2.9232,-2.3668,-1.652,-1.2759,-0.8285,-0.8262,0.7684,0.8403,0.9063,0.929,1.0187,D01744_N05CD09,4004130d880008e49a2086500c1000005010029040440060840610c0102180101018500022070021002181380005042001043420400040000010821200a800140d660800300c860008808c81041807128088014430011148db485c200009101401841200000088140648e000004488438016118d000130600f86040020808004,00000000003101,050000000000080020000000000000000000000000049800000000000000000000004640403805,000014002860082001f8d5a05c4dc00b20a128a917,0,11,24,2,0,1,34,37,-9.157,-0.687,2,,0.690057576,+,1.3771,-,1.3771,https://www.genome.jp/dbget-bin/www_bget?dr:D01744
4502,D00457, Quazepam (JAN/USP/INN), Benzodiazepine derivatives,N05CD10,NERVOUS SYSTEM,C1(=NCC(=S)N(c2c1cc(cc2)Cl)CC(F)(F)F)c1ccccc1F,386.79400000000004,4.5268,100.49799999999999,47.69,14,0,3,IKMPWMZBZSAONZ-UHFFFAOYSA-N,C17H11ClF4N2S,Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",-3.699,-3.6977,-3.6747,-2.7057,-2.1412,-2.1007,0.9471,1.0514,1.0913,1.5571,1.6124,D00457_N05CD10,081603628000004002840e0098802808811004d500000840002000a08020000010006012000000600001002800201440000300000000000801480002108a240300001800600086800090400026000002008c004004002008450e0980002300000000202100000014d8000800200000400006010a600131800000040442c00000,20000000003001,0001000000000800000080000004000000000000000c0000000000000000000000004640602800,00000400004200a000e5d10058c7c00361a3292d17,4,12,24,2,0,3,36,38,-8.977,-1.463,0,1.0,0.9821615220000001,-,1.0428,-,1.0428,https://www.genome.jp/dbget-bin/www_bget?dr:D00457
4503,D07326, Loprazolam (INN), Benzodiazepine derivatives,N05CD11,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)[N](=O)O)c(=O)/c(=C/N1CC[N@@H+](CC1)C)/[nH]2)c1ccccc1Cl,467.92800000000005,2.0038,139.61,107.49,29,3,4,IBTCDXSISWIARI-RGEXLXHISA-O,C23H24ClN6O3+,C[NH+]1CCN(CC1)C=c1[nH]c2n(c1=O)c1ccc(cc1C(=NC2)c1ccccc1Cl)[N](=O)O,"InChI=1S/C23H23ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14,26H,8-11,13H2,1H3,(H,32,33)/p+1/b19-14-",-6.0541,-5.7389,-5.2963,-4.9367,-4.6296,-4.5318,2.3409999999999997,2.5238,2.6537,2.7571,2.7698,D07326_N05CD11,004623b480400044838c46009a80480aa0310e4510000840000200e0806014041a054002222002220007052800251240611000410000031821a1c07200882404100018004001162005a011000680010600ac00602400280c610e29010007401501242401240004114240080020c00040000e010c6311a0001030040006c24108,0500000000f001,000040020400080003088000200000004002000000040000000000000000000000004640c06a04,000084002010816070fc76fcff65fccbf7e76feb1f,0,12,46,4,0,3,58,62,-13.917,-8.677999999999999,0,2.0,0.00128736,+,2.4268,-,2.4268,https://www.genome.jp/dbget-bin/www_bget?dr:D07326
4504,D08145, Loprazolam mesilate, Benzodiazepine derivatives,N05CD11,NERVOUS SYSTEM,C1(=NCc2n(c3c1cc(cc3)[N](=O)O)c(=O)/c(=C/N1CC[N@@H+](CC1)C)/[nH]2)c1ccccc1Cl,467.92800000000005,2.0038,139.61,107.49,29,3,4,IBTCDXSISWIARI-RGEXLXHISA-O,C23H24ClN6O3+,C[NH+]1CCN(CC1)C=c1[nH]c2n(c1=O)c1ccc(cc1C(=NC2)c1ccccc1Cl)[N](=O)O,"InChI=1S/C23H23ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14,26H,8-11,13H2,1H3,(H,32,33)/p+1/b19-14-",-6.0497,-5.7369,-5.3005,-4.9422,-4.6346,-4.5276,2.3588,2.5149,2.6488,2.7661,2.7827,D08145_N05CD11,004623b480400044838c46009a80480aa0310e4510000840000200e0806014041a054002222002220007052800251240611000410000031821a1c07200882404100018004001162005a011000680010600ac00602400280c610e29010007401501242401240004114240080020c00040000e010c6311a0001030040006c24108,0500000000f001,000040020400080003088000200000004002000000040000000000000000000000004640c06a04,000084002010816070fc76fcff65fccbf7e76feb1f,0,12,46,4,0,3,58,62,-13.922,-8.666,0,3.0,0.00128725,+,2.4268,-,2.4268,https://www.genome.jp/dbget-bin/www_bget?dr:D08145
4505,D07327, Doxefazepam (INN), Benzodiazepine derivatives,N05CD12,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)N(c2c1cc(cc2)Cl)CCO)O)c1ccccc1F,348.756,1.4744,95.0396,73.13,19,2,5,VOJLELRQLPENHL-MRXNPFEDSA-N,C17H14ClFN2O3,OCCN1C(=O)C(O)N=C(c2c1ccc(c2)Cl)c1ccccc1F,"InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2/t16-/m1/s1",-4.0679,-4.0266,-3.7886,-2.7817,-2.3245,-2.2194,1.6946,1.7064,1.7826,2.2114,2.8058,D07327_N05CD12,000602228000004003840e00988008088110044510000848000000a08020000018004012002000624107002800201040000000000080000801000002008a2413080018004000b680009050002680000200ec004024002808450e090001030000000124010000001450002800a00004400006010a601130000040040442c00000,0400001c00b001,0018000000000800000080002000000000000000000c0000000000000000000000004640402804,000004000002002080e4524cd875f0436ce72f7f1f,1,12,26,2,0,3,38,40,-9.516,-0.9,1,0.0,0.51215899,-,0.8871,-,0.8871,https://www.genome.jp/dbget-bin/www_bget?dr:D07327
4506,D07328, Cinolazepam (INN), Benzodiazepine derivatives,N05CD13,NERVOUS SYSTEM,C1(=N[C@@H](C(=O)N(c2c1cc(cc2)Cl)CCC#N)O)c1ccccc1F,357.76599999999996,2.39578,98.4338,76.69,18,1,5,XAXMYHMKTCNRRZ-QGZVFWFLSA-N,C18H13ClFN3O2,N#CCCN1C(=O)C(O)N=C(c2c1ccc(c2)Cl)c1ccccc1F,"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2/t17-/m1/s1",-4.0679,-4.0256,-3.7769,-2.7829,-2.45,-2.3435,1.5962,1.6986,1.7485,1.7818,2.8098,D07328_N05CD13,800602228000004003840e00988008088110044510000848000000a08020000018004012012400624107003800201040000220000080000801000002008a64130a00180040088e80009050002680000200ec004024002808450e090001030000000124010000001450002800a00004600006010a601130000010040446c00000,0400000c00b011,0200000000000800000080002000000010000000000c0000000000000000000000004640402805,000004000003002080e4504c5865f04360e52d7f1f,1,12,25,2,1,3,38,40,-9.755,-1.034,1,1.0,0.6495895389999999,-,0.8038,-,0.8038,https://www.genome.jp/dbget-bin/www_bget?dr:D07328
4507,D00532, Glutethimide (JAN/INN), Piperidinedione derivatives,N05CE01,NERVOUS SYSTEM,[C@]1(c2ccccc2)(C(=O)NC(=O)CC1)CC,217.264,2.0998,65.1357,46.17,18,1,3,JMBQKKAJIKAWKF-CYBMUJFWSA-N,C13H15NO2,CCC1(CCC(=O)NC1=O)c1ccccc1,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)/t13-/m1/s1",-3.8093,-3.7926,-2.9292,-2.915,-2.5823,-1.318,1.0783,1.4977,1.4986,1.7771,1.7979,D00532_N05CE01,002640000020000003000600000000040000001000000000000000800000000018005081000000001006241800010200010200000020000000000002000000000000000000000040000020001a8000050090015000003008c0080a00800810000400002000000000000000000000000000060100020110000010000100000100,0400000000b001,0b0000000000000000008000000100000000000000000000000000000000000000000600402804,00000000000000200200000f82e83a41894165ee1f,0,6,24,2,0,2,31,32,-10.121,0.135,1,1.0,0.18579106,+,0.545,-,0.545,https://www.genome.jp/dbget-bin/www_bget?dr:D00532
4508,D01150, Methyprylon (JAN/INN), Piperidinedione derivatives,N05CE02,NERVOUS SYSTEM,C1[C@@H](C(=O)C(C(=O)N1)(CC)CC)C,183.247,1.4566,54.9267,46.17,20,1,3,SIDLZWOQUZRBRU-ZETCQYMHSA-N,C10H17NO2,CCC1(CC)C(=O)NCC(C1=O)C,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1",-4.3868,-3.8309,-3.7961,-2.9763,-2.1942,-1.6699,0.9751,0.9962,1.4263,1.4851,1.5168,D01150_N05CE02,002200000000000001000400000000000000001000000000000000000010000018001000000000001006041000000000010200001020000001000000000000000000000000000000000000001280000c001001500000200080000000000100000000002000000000000000000000000000040000000010000010000100000100,1400000000a001,0f0000000000010000008000200000000000000000000000000000000000000000000400402805,00000000000000000200020b0ba81ec18051f0ef1d,0,0,28,2,0,2,30,30,-10.238,0.386,1,,0.05614008,-,0.3191,+,0.3191,https://www.genome.jp/dbget-bin/www_bget?dr:D01150
4509,D07329, Pyrithyldione (INN), Piperidinedione derivatives,N05CE03,NERVOUS SYSTEM,C1(=O)C=CNC(=O)C1(CC)CC,167.205,1.3342,49.6457,46.17,16,1,3,NZASCBIBXNPDMH-UHFFFAOYSA-N,C9H13NO2,CCC1(CC)C(=O)NC=CC1=O,"InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)",-3.7931,-3.2959,-3.2286,-2.8269,-1.3707,-1.2663,0.6905,0.9732,1.0979,1.5058,1.5788,D07329_N05CE03,000200400000000401000480000000000005049000001000000000000000000410000000000000000006001100800000010000041000030002000001000001004000000000040000000000000080000c001000404000200080001000000500110404100020020000000010000000000000040000000010000000000100004000,1400000000a001,0b0000000000010000008000200000004002000000000000000000000000000000000440437800,00000000001000000200000b07a01a418041f0ee1d,0,0,22,3,0,2,25,25,-9.849,-0.426,0,0.0,0.022067821,+,0.5265,+,0.5265,https://www.genome.jp/dbget-bin/www_bget?dr:D07329
4510,D01372, Zopiclone (JAN/INN), Benzodiazepine related drugs,N05CF01,NERVOUS SYSTEM,c1cnc2c(n1)C(=O)N([C@H]2OC(=O)N1CC[N@@H+](CC1)C)c1ncc(cc1)Cl,389.816,1.723,107.919,92.96,26,1,8,GBBSUAFBMRNDJC-INIZCTEOSA-O,C17H18ClN6O3+,Clc1ccc(nc1)N1C(OC(=O)N2CC[NH+](CC2)C)c2c(C1=O)nccn2,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/p+1/t16-/m0/s1",-6.0374,-5.3331,-5.2748,-4.621,-4.5345,-4.5229,1.9238,2.1094,2.3679,2.4007,3.1698,D01372_N05CF01,0003028220100080010806000d82000ca40020908000280883062008000814002c016002266881a1908f003c00001ac0010ae0000809210802448002008007080c011e0000008200002031000e8800260088004004003901c0000020040380100b30000880c022020080110140000600100f0094864808022038e00102c01413,0500000030f001,000040020400000000008000200000014041000100049000000000000000000000004640c03204,000040002000012001d476dddb67bce7f1e36ffb1f,0,12,34,2,0,4,45,48,-11.842,-4.32,1,,0.0010264410000000001,+,1.5630000000000002,-,1.5630000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D01372
4511,D08690, Zolpidem (INN), Benzodiazepine related drugs,N05CF02,NERVOUS SYSTEM,c1(c(c2ccc(cc2)C)nc2n1cc(cc2)C)CC(=O)N(C)C,307.39,3.2488,93.04299999999999,37.61,24,0,4,ZAFYATHCZYHLPB-UHFFFAOYSA-N,C19H21N3O,Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",-3.8577,-3.7719,-1.9616,-1.9559,-1.2186,-1.1457,0.9772,0.9924,1.0024,1.1828,1.2886,D08690_N05CF02,8002002000780440010446000440410444000000008200088003088101108400100140100060802120862018000a004000004050000420040420000a0002020804000c82400006210000b000808800020098804004802021500a0910000140000000080000a0001008400004601004041006011120411000010000000a800000,0400000000b001,030000000000000000008000120000000000000000009800000000000000000000004600403801,000000002000002001d234981361980308b139ae1f,0,16,29,1,0,4,44,46,-8.509,-0.305,0,-1.0,0.352329791,+,1.2513,-,1.2513,https://www.genome.jp/dbget-bin/www_bget?dr:D08690
4512,D00706, Zolpidem tartrate (JP17/USAN), Benzodiazepine related drugs,N05CF02,NERVOUS SYSTEM,c1(c(c2ccc(cc2)C)nc2n1cc(cc2)C)CC(=O)N(C)C,307.39,3.2488,93.04299999999999,37.61,24,0,4,ZAFYATHCZYHLPB-UHFFFAOYSA-N,C19H21N3O,Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",-3.8712,-3.7665,-1.9687,-1.9586,-1.2162,-1.1482,0.9788,1.0058,1.0445,1.182,1.2885,D00706_N05CF02,8002002000780440010446000440410444000000008200088003088101108400100140100060802120862018000a004000004050000420040420000a0002020804000c82400006210000b000808800020098804004802021500a0910000140000000080000a0001008400004601004041006011120411000010000000a800000,0400000000b001,030000000000000000008000120000000000000000009800000000000000000000004600403801,000000002000002001d234981361980308b139ae1f,0,16,29,1,0,4,44,46,-8.506,-0.304,0,,0.352535635,+,1.2513,-,1.2513,https://www.genome.jp/dbget-bin/www_bget?dr:D00706
4513,D00530, Zaleplon (JAN/USAN/INN), Benzodiazepine related drugs,N05CF03,NERVOUS SYSTEM,n12c(c3cc(N(C(=O)C)CC)ccc3)ccnc1c(cn2)C#N,305.334,2.64078,87.15899999999999,74.29,20,0,6,HUNXMJYCHXQEGX-UHFFFAOYSA-N,C17H15N5O,CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",-4.4757,-3.7885,-3.6954,-2.7708,-2.3983,-2.0501,1.1451,1.1802,1.2101,1.2804,1.6382,D00530_N05CF03,a0420000000a00400104460004c04000f008000000022018000008800024140008414082412c80300086020c00001041000062000000c00c00208002008066000c200c004008020000001008068880831088016004002900500801100001000000082800001040000640000020500005100e0518800100e00808004002e00000,04000000003011,010000000000000000008000120000001000000000009800000000000000000000004680402801,000000002001082001d014a81a219a0b502119af1f,0,16,22,1,1,4,38,40,-9.25,-1.35,0,,0.061271865,+,0.981,-,0.981,https://www.genome.jp/dbget-bin/www_bget?dr:D00530
4514,D02624, Eszopiclone (JAN/USAN/INN), Benzodiazepine related drugs,N05CF04,NERVOUS SYSTEM,c1cnc2c(n1)C(=O)N([C@H]2OC(=O)N1CC[N@@H+](CC1)C)c1ncc(cc1)Cl,389.816,1.723,107.919,92.96,26,1,8,GBBSUAFBMRNDJC-INIZCTEOSA-O,C17H18ClN6O3+,Clc1ccc(nc1)N1C(OC(=O)N2CC[NH+](CC2)C)c2c(C1=O)nccn2,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/p+1/t16-/m0/s1",-6.0401,-5.3419,-5.2446,-4.6266,-4.5243,-4.5209,1.9219,2.1094,2.3628,2.3976,3.1812,D02624_N05CF04,0003028220100080010806000d82000ca40020908000280883062008000814002c016002266881a1908f003c00001ac0010ae0000809210802448002008007080c011e0000008200002031000e8800260088004004003901c0000020040380100b30000880c022020080110140000600100f0094864808022038e00102c01413,0500000030f001,000040020400000000008000200000014041000100049000000000000000000000004640c03204,000040002000012001d476dddb67bce7f1e36ffb1f,0,12,34,2,0,4,45,48,-11.845999999999998,-4.3180000000000005,1,,0.0010253839999999998,+,1.5630000000000002,-,1.5630000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D02624
4515,D08170, Melatonin, Melatonin receptor agonists,N05CH01,NERVOUS SYSTEM,c1c(cc2c(c1)[nH]c(c2)CCNC(=O)C)OC,232.278,2.246,67.1794,54.12,19,2,3,VEIIRBABRJKVLL-UHFFFAOYSA-N,C13H16N2O2,COc1ccc2c(c1)cc([nH]2)CCNC(=O)C,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",-4.3672,-3.8428,-3.7887,-2.1678,-1.0254,-0.9531,0.6167,0.7538,0.9917,1.1538,1.4648,D08170_N05CH01,00060020000204000300060004020004000000000000000000000080003000001800408100008020088620180000004000020200000020000400000a000000000c0004024100020100004000068800000080804004802008400a0800800000000c0000000000080600000000201004000006011028011020085000000a000004,0400000050b001,0300020000000000000080000a0000000000000000008400000000000000000000004600402800,00000000000010000180069a986939610461d4ff1f,0,10,23,1,0,5,33,34,-8.517999999999999,0.22699999999999998,0,1.0,0.077545658,+,0.3337,-,0.3337,https://www.genome.jp/dbget-bin/www_bget?dr:D08170
4516,D02689, Ramelteon (JAN/USAN/INN), Melatonin receptor agonists,N05CH02,NERVOUS SYSTEM,c12ccc3c(c1CCO2)[C@@H](CC3)CCNC(=O)CC,259.343,2.9585,75.4477,38.33,24,1,3,YLXDSYKOBKBWJQ-LBPRGKRZSA-N,C16H21NO2,CCC(=O)NCCC1CCc2c1c1CCOc1cc2,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",-4.3401,-3.8405,-3.805,-2.1747,-0.986,-0.9553,0.4416,0.5526,0.7514,0.9947,1.4646,D02689_N05CH02,00260000000000000b0806000203000004008010000012000100008000000000180050000040000110060418000100000102020000200804000000020000000818200e022100040180102020028080000090014000003008c01808000008000041020020000004020200004241100000000601000a0510200812004300100004,0400000050b001,0700020000000000000080000a0000000000000000000000000000000000000000004600402804,00000000000000010000068c987933800983c4ff1f,0,6,35,1,0,5,40,42,-9.173,0.363,1,0.0,0.406546056,+,0.9214,-,0.9214,https://www.genome.jp/dbget-bin/www_bget?dr:D02689
4517,D09388, Tasimelteon (USAN/INN), Melatonin receptor agonists,N05CH03,NERVOUS SYSTEM,c12c(cccc1[C@@H]1C[C@H]1CNC(=O)CC)OCC2,245.317,2.6421,70.4817,38.33,22,1,3,PTOIAAWZLUQTIO-GXFFZTMASA-N,C15H19NO2,CCC(=O)NCC1CC1c1cccc2c1CCO2,"InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1",-4.3426,-3.8491,-3.8099,-2.8759,-1.1551,-1.0113,0.68,0.8533,0.9896,1.3158,1.4629,D09388_N05CH03,00260000000000000b0806000003000000000010000000000100008000000000180050000040000100060418000100000102020000000804000000020000000818200c022100040180002021028080000090014000003008c01808000008100041020020000000020200004240100000000601000a0510200812004300100004,0400000050b001,0700020000000000000080000a0000000000000000000000000000000000000000004600402804,00002000000000210000068e987933800983e4ff1f,0,6,32,1,0,5,37,39,-9.359,0.314,2,1.0,0.21100851899999998,+,1.6598,-,1.6598,https://www.genome.jp/dbget-bin/www_bget?dr:D09388
4518,D00557, Methaqualone (JAN/USAN/INN), Other hypnotics and sedatives,N05CM01,NERVOUS SYSTEM,n1(c2c(cccc2)C)c(=O)c2c([nH]c1C)cccc2,251.303,3.2167,78.2347,37.79,16,1,2,OGPGDDKEUJJGTK-UHFFFAOYSA-N,C16H15N2O,Cc1[nH]c2ccccc2c(=O)n1c1ccccc1C,"InChI=1S/C16H15N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10,17H,1-2H3",-5.0338,-4.579,-3.7974,-2.787,-2.6837,-2.6081,0.9125,1.4467,1.6764,1.831,1.9206,D00557_N05CM01,0042000000000a0011000600008000008010001010000000000000800030110018005000002002201006011800011060010200005020000a20004002000004000200000040000200000010000a90000d0090014004002800e00900000000000001200020040000004220000000000020000e0100000110000004000106400100,0400000000b001,070000000000000003008000200000000000000000000000000000000000000000004600402805,00000000200000200094100e9369b0c351e17daa1f,0,6,36,1,0,1,41,43,-13.196,-5.388999999999999,0,2.0,0.007564006999999999,+,0.727,-,0.727,https://www.genome.jp/dbget-bin/www_bget?dr:D00557
4519,D07330, Clomethiazole (INN), Other hypnotics and sedatives,N05CM02,NERVOUS SYSTEM,c1(c(ncs1)C)CCCl,161.65200000000002,2.2328,41.648999999999994,41.13,9,0,2,PCLITLDOTJTVDJ-UHFFFAOYSA-N,C6H8ClNS,Cc1ncsc1CCCl,"InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3",-1.4127,-0.6797,-0.5992,-0.5812,-0.5146,-0.3864,0.2035,0.253,0.377,0.4555,0.4877,D07330_N05CM02,0000030000000000001002040400020004000000000020000000000c0010040210000110004020208001080000080000000080801000000080000202000000200400040000204200010020000000000000000050000a000000004800000044000880000080204000000000000000000014000000000800000000000002000200,00000000003001,83000000000000000000000000000000000000000000d000000000000000000000000600403000,0000000008400000010085804008a8012081248d13,0,5,12,0,0,2,17,17,-9.762,-0.38799999999999996,0,-1.0,0.105683334,-,0.3488,-,0.3488,https://www.genome.jp/dbget-bin/www_bget?dr:D07330
4520,D07725, Clomethiazole edisilate, Other hypnotics and sedatives,N05CM02,NERVOUS SYSTEM,S(=O)(=O)(CCS(=O)(=O)O)O,190.195,0.9236,32.7996,125.5,10,2,6,AFAXGSQYZLGZPG-UHFFFAOYSA-N,C2H6O6S2,OS(=O)(=O)CCS(=O)(=O)O,"InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)",-8.9557,-8.9302,-8.9218,-8.9173,-8.433,-8.4233,2.5947,2.6197,3.5355,4.596,4.6382,D07725_N05CM02,2000010004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000010000810200040000000000401000401020000000000000000000000002000000000000000000000000000000005000000000000000000400000000,0000000000a000,000000000000000000000000000000000000000000000000000022000000000000000000402800,00000000c080441a14018002a08220088e0e0e4508,0,0,11,4,0,3,16,15,-2.733,8.357999999999999,0,-1.0,,+,1.1382,-,1.1382,https://www.genome.jp/dbget-bin/www_bget?dr:D07725
4521,D01391, Bromovalerylurea (JP17), Other hypnotics and sedatives,N05CM03,NERVOUS SYSTEM,CC([C@H](C(=O)NC(=O)N)Br)C,223.06799999999998,1.692,45.1241,72.19,15,2,4,CMCCHHWTTBEZNM-SCSAIBSYSA-N,C6H11BrN2O2,BrC(C(=O)NC(=O)N)C(C)C,"InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)/t4-/m1/s1",-5.8908,-4.6111,-4.2317,-4.1794,-3.799,-3.5665,1.8096,1.8425,2.2911,2.4402,2.4919,D01391_N05CM03,0002000008000800010004000000000000000010000000000000000000000000180000000000000000060510000602000100000000000000000080000000000001000000000000000000000000b100048010004000002000800000000000000000200000000000000000000000000000000c0000000010000090000000000000,0400000000a040,050200000000000000008000000000000040040000000000000000000000000000000000402804,00000000102400000012080901261000a42050ea09,0,0,19,2,0,4,22,21,-10.786,-0.26899999999999996,1,,,+,0.4481,-,0.4481,https://www.genome.jp/dbget-bin/www_bget?dr:D01391
4522,D02619, Carbromal (INN), Other hypnotics and sedatives,N05CM04,NERVOUS SYSTEM,C(C(=O)NC(=O)N)(CC)(CC)Br,237.09400000000002,2.2262,49.9691,72.19,17,2,4,OPNPQXLQERQBBV-UHFFFAOYSA-N,C7H13BrN2O2,CCC(C(=O)NC(=O)N)(CC)Br,"InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)",-5.8775,-4.6535,-4.2221,-4.1969,-3.7849,-3.5552,1.8199,1.8437,2.2749,2.4437,2.4787,D02619_N05CM04,0002000008000800010004000000000000000010000000000000000000000000180000000000000000060510000602000100000000000000000080000000000001000000000000000000000000b100048010004000002000800000000000000000200000000000000000000000000000000c0000000010000090000100000000,0400000000a040,030200000000000000008000000000000040040000000000000000000000000000000000402800,00000000102400000210080b01a61a00a42050ee09,0,0,22,2,0,5,25,24,-10.738,-0.098,0,-1.0,,+,0.4007,-,0.4007,https://www.genome.jp/dbget-bin/www_bget?dr:D02619
4523,D02361, Propiomazine (USAN/INN), Other hypnotics and sedatives,N05CM06,NERVOUS SYSTEM,c12N(c3c(Sc1ccc(c2)C(=O)CC)cccc3)C[C@H]([NH+](C)C)C,341.49,3.48,106.32799999999999,50.05,28,1,2,UVOIBTBFPOZKGP-CQSZACIVSA-O,C20H25N2OS+,CCC(=O)c1ccc2c(c1)N(CC([NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3/p+1/t14-/m1/s1",-6.0323,-4.5899,-4.5841,-4.4216,-2.8363,-2.0339,1.4777,1.5423,1.5794,1.5917,1.7025,D02361_N05CM06,2006010000a000800200060100824028800000001000200200030080004004001f0048000000802000020638000110c501000002020020080100002200100404020000104000022000280100008000000090006004403008500a080000284000000000001000000000200000000004200006110020011240001a800002400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a05,00000000080001040046b1109a418e0348b1d9af1f,0,12,38,1,0,5,49,51,-10.615,-4.101,1,2.0,0.039121412,-,0.6608,-,0.6608,https://www.genome.jp/dbget-bin/www_bget?dr:D02361
4524,D08439, Propiomazine maleate, Other hypnotics and sedatives,N05CM06,NERVOUS SYSTEM,c12N(c3c(Sc1ccc(c2)C(=O)CC)cccc3)C[C@H]([NH+](C)C)C,341.49,3.48,106.32799999999999,50.05,28,1,2,UVOIBTBFPOZKGP-CQSZACIVSA-O,C20H25N2OS+,CCC(=O)c1ccc2c(c1)N(CC([NH+](C)C)C)c1c(S2)cccc1,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3/p+1/t14-/m1/s1",-6.0326,-4.6106,-4.5985,-4.473,-2.8302,-2.0371,1.4636,1.5709,1.5981,1.6033,1.7125,D08439_N05CM06,2006010000a000800200060100824028800000001000200200030080004004001f0048000000802000020638000110c501000002020020080100002200100404020000104000022000280100008000000090006004403008500a080000284000000000001000000000200000000004200006110020011240001a800002400000,1500000000f121,030050020500010000000000000000000001000000000000000000000000000000004640c02a05,00000000080001040046b1109a418e0348b1d9af1f,0,12,38,1,0,5,49,51,-10.616,-4.1,1,-4.0,0.039135944,-,0.6608,-,0.6608,https://www.genome.jp/dbget-bin/www_bget?dr:D08439
4525,D08634, Triclofos (INN), Other hypnotics and sedatives,N05CM07,NERVOUS SYSTEM,C(COP(=O)(O)O)(Cl)(Cl)Cl,229.38400000000001,1.4659,38.2261,76.57,6,2,4,YYQRGCZGSFRBAM-UHFFFAOYSA-N,C2H4Cl3O4P,ClC(COP(=O)(O)O)(Cl)Cl,"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",-10.5565,-10.5363,-10.2699,-7.5302,-2.8084,-2.2949,2.9763,3.0392,3.498,4.8166,5.0979,D08634_N05CM07,0080020000000002000000000000000000000100000000020000000840000000000000000000000000090004000000000200000000000000000000002000000008000800000000002000020000000000000000400000000000000000000000000000000000400000000000000400000004000000000000000004000000000800,0000000000a000,800000000000000000000000000000000000000000000000000000000010200000000000402800,00000010008400001000000260960028260c0a5508,0,0,12,1,0,3,14,13,0.353,5.063,0,0.0,,-,1.2854,-,1.2854,https://www.genome.jp/dbget-bin/www_bget?dr:D08634
4526,D00388, Triclofos sodium (JP17/USAN), Other hypnotics and sedatives,N05CM07,NERVOUS SYSTEM,C(COP(=O)(O)O)(Cl)(Cl)Cl,229.38400000000001,1.4659,38.2261,76.57,6,2,4,YYQRGCZGSFRBAM-UHFFFAOYSA-N,C2H4Cl3O4P,ClC(COP(=O)(O)O)(Cl)Cl,"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",-10.5471,-10.5441,-10.2502,-7.5268,-2.8108,-2.2114,3.0143,3.0316,3.4487,4.8018,5.0876,D00388_N05CM07,0080020000000002000000000000000000000100000000020000000840000000000000000000000000090004000000000200000000000000000000002000000008000800000000002000020000000000000000400000000000000000000000000000000000400000000000000400000004000000000000000004000000000800,0000000000a000,800000000000000000000000000000000000000000000000000000000010200000000000402800,00000010008400001000000260960028260c0a5508,0,0,12,1,0,3,14,13,0.353,5.064,0,,,-,1.2854,-,1.2854,https://www.genome.jp/dbget-bin/www_bget?dr:D00388
4527,D00704, Ethchlorvynol (JAN/USP/INN), Other hypnotics and sedatives,N05CM08,NERVOUS SYSTEM,Cl/C=C/[C@](CC)(C#C)O,144.599,1.5132,39.4468,20.23,10,1,1,ZEHYJZXQEQOSON-WEWAHIQMSA-N,C7H9ClO,CCC(C#C)(C=CCl)O,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+/t7-/m1/s1",-4.2441,-1.7027,-1.2045,-0.5877,-0.5870000000000001,-0.5721,0.4696,0.5084,0.6041,0.831,1.1787,D00704_N05CM08,000002000008000c000000000000000000000080000000000000000000000000100008000000000180010000082800000100000010000000008000000000000008000900000000000000000000000000000000400000000000001000000000000004000080000000000000000020400000000000000000000000000000000000,0000004c00a000,234800000000000008000000000000000000000000000000000000000000000000000000432004,000001000000000002000000c48002002804809408,0,0,15,1,1,2,18,17,-10.064,0.56,1,,,-,0.4629,-,0.4629,https://www.genome.jp/dbget-bin/www_bget?dr:D00704
4528,D07331, Hexapropymate (INN), Other hypnotics and sedatives,N05CM10,NERVOUS SYSTEM,C1CCCCC1(OC(=O)N)CC#C,181.232,2.5082,50.6514,52.32,18,1,3,MIRHIEAGDGUXKL-UHFFFAOYSA-N,C10H15NO2,C#CCC1(CCCCC1)OC(=O)N,"InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)",-6.6538,-5.2523,-4.2307,-4.2272,-3.5810000000000004,-1.2099,1.2882,1.5328,2.0338,2.0372,2.2475,D07331_N05CM10,00000000000802000202040000020000000000000000000002000000000000001000000200000001000c000008000000010000000020400200000000000082000810180000000000000180000080000000c000408000000000000000000000000000008000000000000000000020480000030100000100000000400100008000,0000000030a001,220000000000000000000000000000000040000100000000000000000000000000000000402800,00004100000000000200080400a230e40940c47e1d,0,0,26,1,1,3,28,28,-10.685,1.119,0,1.0,0.203056127,-,0.3109,-,0.3109,https://www.genome.jp/dbget-bin/www_bget?dr:D07331
4529,D03975, Allylisopropylacetylurea, Other hypnotics and sedatives,N05CM12,NERVOUS SYSTEM,NC(=O)NC(=O)[C@H](CC=C)C(C)C,184.236,2.1208,51.2011,72.19,20,2,4,KSUUMAWCGDNLFK-SSDOTTSWSA-N,C9H16N2O2,C=CCC(C(=O)NC(=O)N)C(C)C,"InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)/t7-/m1/s1",-5.8851,-4.6339,-4.2253,-4.1925,-3.7939999999999996,-3.5627,1.7972,1.8481,2.2844,2.4437,2.4719,D03975_N05CM12,00020000000008040100048000000000000000900000000000000000000000001800000000000000000605100000020001000000000000000000000000400000000000000004000000000000009000040010004000002000800010000000001000240000000000000000000000000000000c0000000010000010000100000000,0400000000a040,170000000000000000008000000000000040040000000000000000000000000000000000402804,00000000120400000012080b05221800842050ee09,0,0,25,3,0,6,29,28,-10.368,0.769,1,0.0,,+,2.2972,-,2.2972,https://www.genome.jp/dbget-bin/www_bget?dr:D03975
4530,D02717, Valnoctamide (USAN/INN), Other hypnotics and sedatives,N05CM13,NERVOUS SYSTEM,[C@H](CC)([C@@H](CC)C)C(=O)N,143.227,2.2443,43.4774,43.09,19,1,2,QRCJOCOSPZMDJY-RQJHMYQMSA-N,C8H17NO,CCC(C(CC)C)C(=O)N,"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)/t6-,7+/m1/s1",-4.8282,-4.2204,-4.2007,-3.7986,-1.2537,-0.9651,0.1231,0.3283,1.1377,1.4558,1.4989,D02717_N05CM13,0000000000000000000004000000000000000000000000000000000000000000100000000000000000060010000000000100000000200000000000000000000000000000000000000000000000800004001001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000100,0400000000a000,070000000000000000008000060000000000000000000000000000000000000000000000402804,00000000000000000000080e00281e00011050ae09,0,0,25,1,0,4,27,26,-10.456,1.584,2,,,-,0.7834,+,0.7834,https://www.genome.jp/dbget-bin/www_bget?dr:D02717
4531,D07332, Methylpentynol (INN), Other hypnotics and sedatives,N05CM15,NERVOUS SYSTEM,CC[C@](C#C)(C)O,98.14299999999999,0.7806,30.3178,20.23,11,1,1,QXLPXWSKPNOQLE-ZCFIWIBFSA-N,C6H10O,CC(C#C)(CC)O,"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m1/s1",-3.2934,-0.9363,-0.4751,-0.4569,-0.4233,-0.3925,0.2435,0.3268,0.4243,0.5071,0.8282,D07332_N05CM15,0000000000080000000000000000000000000000000000000000000000000000100000000000000100000000080000000100000000000000000000000000000008000900000000000000000000000000000000400000000000000000000000000000000000000000000000000020400000000000000000000000000000000000,0000004c00a000,234800000000000000000000000000000000000000000000000000000000000000000000402004,000001000000000002000000808006000804909408,0,0,15,0,1,1,17,16,-10.235,1.76,1,0.0,,+,0.5218,-,0.5218,https://www.genome.jp/dbget-bin/www_bget?dr:D07332
4532,D07333, Niaprazine (INN), Other hypnotics and sedatives,N05CM16,NERVOUS SYSTEM,c1cncc(c1)C(=O)N[C@@H](CC[NH+]1CCN(CC1)c1ccc(cc1)F)C,357.445,3.1593,108.35600000000001,49.67,30,2,4,RSKQGBFMNPDPLR-MRXNPFEDSA-O,C20H26FN4O+,CC(NC(=O)c1cccnc1)CC[NH+]1CCN(CC1)c1ccc(cc1)F,"InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)/p+1/t16-/m1/s1",-5.9933,-4.5659,-4.5141,-4.511,-4.1023,-3.8424,1.7253,1.7372,2.4946,2.6273,2.6393,D07333_N05CM16,00020080000000a01180060000814008810000900000000800000040000004001e00400221008020008e0c38000010c001022000000020080400000200000600040004004004000000300000028800000080004004002001e00b000000000000001000220040000010000000001004011006000620411000009c800002400010,0500000000f021,0300400205000000000080000a0000004001000000089000000000000000000000000640c02a04,000000000002112001c4720e8b64bc8375234daf1f,1,12,41,1,0,7,52,54,-11.887,-4.088,1,-1.0,0.018338503,-,1.2292,-,1.2292,https://www.genome.jp/dbget-bin/www_bget?dr:D07333
4533,D00514, Dexmedetomidine (USAN/INN), Other hypnotics and sedatives,N05CM18,NERVOUS SYSTEM,c1([C@@H](c2c[nH]cn2)C)c(c(ccc1)C)C,200.28,3.1783,62.7797,28.68,17,1,1,CUHVIMMYOGQXCV-NSHDSACASA-N,C13H16N2,Cc1cccc(c1C)C(c1c[nH]cn1)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",-1.0569,-0.6917,-0.6032,-0.5721,-0.5508,-0.5374,0.2542,0.2671,0.2725,0.2903,0.3311,D00514_N05CM18,000401200000004003004200840000020000004000000000000200800000040010004000004000210084001800000000000000400000000001000002000001000c000c00000002000000300000000000008a00400080002840080800000140000010000500200000000008004100000410060110000100000000000002000008,00000000001001,050000000000000000000000000000000000000000009400000000000000000000000600402804,0000000000000000015004800000800100b1708817,0,11,21,0,0,2,31,32,-9.257,0.825,1,1.0,0.311574489,+,0.3898,+,0.3898,https://www.genome.jp/dbget-bin/www_bget?dr:D00514
4534,D01205, Dexmedetomidine hydrochloride (JAN/USAN, Other hypnotics and sedatives,N05CM18,NERVOUS SYSTEM,c1([C@@H](c2c[nH]cn2)C)c(c(ccc1)C)C,200.28,3.1783,62.7797,28.68,17,1,1,CUHVIMMYOGQXCV-NSHDSACASA-N,C13H16N2,Cc1cccc(c1C)C(c1c[nH]cn1)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",-1.0553,-0.6917,-0.6029,-0.5723,-0.551,-0.5378,0.2543,0.2684,0.2726,0.2902,0.3314,D01205_N05CM18,000401200000004003004200840000020000004000000000000200800000040010004000004000210084001800000000000000400000000001000002000001000c000c00000002000000300000000000008a00400080002840080800000140000010000500200000000008004100000410060110000100000000000002000008,00000000001001,050000000000000000000000000000000000000000009400000000000000000000000600402804,0000000000000000015004800000800100b1708817,0,11,21,0,0,2,31,32,-9.259,0.8240000000000001,1,1.0,0.311586648,+,0.3898,+,0.3898,https://www.genome.jp/dbget-bin/www_bget?dr:D01205
4535,D07791, Desipramine (INN), Non-selective monoamine reuptake inhibitors,N06AA01,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH2+]C)cccc2,267.389,2.5716,90.1204,19.85,24,1,0,HCYAFALTSJYZDH-UHFFFAOYSA-O,C18H23N2+,C[NH2+]CCCN1c2ccccc2CCc2c1cccc2,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3/p+1",-5.7093,-5.7034,-4.4065,-4.3875,-2.0361,-1.5484,1.5686,1.5702,1.5839,1.5949,1.7601,D07791_N06AA01,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,020040010500000000000000000000000000000000000000000000000000000000004600c02200,000004000000010000843a1298492c8340a34dad17,0,12,33,0,0,4,43,45,-11.167,-4.075,0,1.0,0.005773268000000001,+,0.621,-,0.621,https://www.genome.jp/dbget-bin/www_bget?dr:D07791
4536,D00812, Desipramine hydrochloride (JAN/USP), Non-selective monoamine reuptake inhibitors,N06AA01,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH2+]C)cccc2,267.389,2.5716,90.1204,19.85,24,1,0,HCYAFALTSJYZDH-UHFFFAOYSA-O,C18H23N2+,C[NH2+]CCCN1c2ccccc2CCc2c1cccc2,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3/p+1",-5.7086,-5.7032,-4.4043,-4.3637,-2.0433,-1.3494,1.5572,1.5681,1.5757,1.5808,1.6782,D00812_N06AA01,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,020040010500000000000000000000000000000000000000000000000000000000004600c02200,000004000000010000843a1298492c8340a34dad17,0,12,33,0,0,4,43,45,-11.276,-4.0889999999999995,0,1.0,0.008648274000000001,+,0.621,-,0.621,https://www.genome.jp/dbget-bin/www_bget?dr:D00812
4537,D08070, Imipramine (INN), Non-selective monoamine reuptake inhibitors,N06AA02,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH+](C)C)cccc2,281.415,2.5229,95.0217,7.68,26,1,0,BCGWQEUPMDMJNV-UHFFFAOYSA-O,C19H25N2+,C[NH+](CCCN1c2ccccc2CCc2c1cccc2)C,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/p+1",-6.0366,-4.6299,-4.6221,-4.5717,-2.022,-1.3681,1.4375,1.4580000000000002,1.6027,1.6086,1.61,D08070_N06AA02,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000004600c02200,00000400000001000086321298492c8340a35dad17,0,12,36,0,0,4,46,48,-11.275,-3.977,0,2.0,0.028078107,+,0.6613,-,0.6613,https://www.genome.jp/dbget-bin/www_bget?dr:D08070
4538,D00815, Imipramine hydrochloride (JP17/USP), Non-selective monoamine reuptake inhibitors,N06AA02,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH+](C)C)cccc2,281.415,2.5229,95.0217,7.68,26,1,0,BCGWQEUPMDMJNV-UHFFFAOYSA-O,C19H25N2+,C[NH+](CCCN1c2ccccc2CCc2c1cccc2)C,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/p+1",-6.0371,-4.6147,-4.6138,-4.5636,-2.0398,-1.3089,1.4351,1.4577,1.5728,1.5906,1.6030000000000002,D00815_N06AA02,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000004600c02200,00000400000001000086321298492c8340a35dad17,0,12,36,0,0,4,46,48,-11.272,-3.9789999999999996,0,-1.0,0.02804881,+,0.6613,-,0.6613,https://www.genome.jp/dbget-bin/www_bget?dr:D00815
4539,D08071, Imipramine pamoate (USAN), Non-selective monoamine reuptake inhibitors,N06AA02,NERVOUS SYSTEM,c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.4028,-4.3742,-4.3322,-4.2588,-2.5155,-2.0307,1.7778,1.9601,2.3135,2.3623,2.3881,D08071_N06AA02,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.515,4.374,0,0.0,1.0102499999999999e-07,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D08071
4540,D07727, Clomipramine (INN), Non-selective monoamine reuptake inhibitors,N06AA04,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH+](C)C)cc(cc2)Cl,315.86,3.1763,100.03200000000001,7.68,25,1,0,GDLIGKIOYRNHDA-UHFFFAOYSA-O,C19H24ClN2+,C[NH+](CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3/p+1",-6.0436,-4.6121,-4.59,-4.5612,-2.0297,-1.3532,1.4531,1.4759,1.5678,1.581,1.5825,D07727_N06AA04,000702208000000012002600008008008010000008000402000000800028000010004000000000200009101800011060014000000a0000080000000200c0040002000000400002000100000024000002008800400400300860094800002800004000000010000008400000000000002000060101000110000000000002c00000,0100000000f021,020040020500000000000000000000000000000000040000000000000000000000004600c02200,000004000000010000867212d84d2c8360a35dad17,0,12,36,0,0,4,46,48,-11.402000000000001,-4.025,0,-2.0,0.094873659,+,0.5412,-,0.5412,https://www.genome.jp/dbget-bin/www_bget?dr:D07727
4541,D00811, Clomipramine hydrochloride (JP17/USP), Non-selective monoamine reuptake inhibitors,N06AA04,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[NH+](C)C)cc(cc2)Cl,315.86,3.1763,100.03200000000001,7.68,25,1,0,GDLIGKIOYRNHDA-UHFFFAOYSA-O,C19H24ClN2+,C[NH+](CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3/p+1",-6.0356,-4.6083,-4.5938,-4.5497,-2.0377,-1.3068,1.4437,1.4709,1.5645,1.5665,1.5825,D00811_N06AA04,000702208000000012002600008008008010000008000402000000800028000010004000000000200009101800011060014000000a0000080000000200c0040002000000400002000100000024000002008800400400300860094800002800004000000010000008400000000000002000060101000110000000000002c00000,0100000000f021,020040020500000000000000000000000000000000040000000000000000000000004600c02200,000004000000010000867212d84d2c8360a35dad17,0,12,36,0,0,4,46,48,-11.402000000000001,-4.024,0,-1.0,0.094787605,+,0.5412,-,0.5412,https://www.genome.jp/dbget-bin/www_bget?dr:D00811
4542,D08297, Opipramol (INN), Non-selective monoamine reuptake inhibitors,N06AA05,NERVOUS SYSTEM,C1=Cc2c(N(c3c1cccc3)CCC[N@@H+]1CC[N@@H+](CC1)CCO)cccc2,365.51199999999994,3.6777,125.801,32.35,33,3,1,YNZFUWZUGRBMHL-UHFFFAOYSA-P,C23H31N3O++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2C=Cc2c1cccc2,"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2/p+2",-6.0254,-6.0086,-4.5573,-4.5554,-4.5315,-4.5135,1.7673,1.7854,2.3523,2.359,3.1209,D08297_N06AA05,000200000000000410002600008040088012004000204002000000820000000010804002310002220000003800001060000200000200000800004002000404100a000800420012800020000002000000008000400401200060094000002000004004000090000080400000048000002000060104000110000004000002400000,0100001c00f021,121840020500000000000000000000000000000000000000000000000000000000004640c32204,000004000000210000c432469e51a0834da74d3d1f,0,12,48,1,0,6,58,61,-12.686,-8.367,0,1.0,3.58491e-07,+,1.3848,-,1.3848,https://www.genome.jp/dbget-bin/www_bget?dr:D08297
4543,D01477, Opipramol hydrochloride (JAN/USAN), Non-selective monoamine reuptake inhibitors,N06AA05,NERVOUS SYSTEM,C1=Cc2c(N(c3c1cccc3)CCC[N@@H+]1CC[N@@H+](CC1)CCO)cccc2,365.51199999999994,3.6777,125.801,32.35,33,3,1,YNZFUWZUGRBMHL-UHFFFAOYSA-P,C23H31N3O++,OCC[NH+]1CC[NH+](CC1)CCCN1c2ccccc2C=Cc2c1cccc2,"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2/p+2",-6.001,-5.9757,-4.5658,-4.5495,-4.5436,-4.5334,1.6457,1.7519999999999998,2.3513,2.3562,3.275,D01477_N06AA05,000200000000000410002600008040088012004000204002000000820000000010804002310002220000003800001060000200000200000800004002000404100a000800420012800020000002000000008000400401200060094000002000004004000090000080400000048000002000060104000110000004000002400000,0100001c00f021,121840020500000000000000000000000000000000000000000000000000000000004640c32204,000004000000210000c432469e51a0834da74d3d1f,0,12,48,1,0,6,58,61,-12.690999999999999,-8.391,0,1.0,3.58347e-07,+,1.3848,-,1.3848,https://www.genome.jp/dbget-bin/www_bget?dr:D01477
4544,D00394, Trimipramine (USAN/INN), Non-selective monoamine reuptake inhibitors,N06AA06,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)C[C@@H](C[NH+](C)C)C)cccc2,295.442,2.7689,99.8287,7.68,28,1,0,ZSCDBOWYZJWBIY-MRXNPFEDSA-O,C20H27N2+,C[NH+](CC(CN1c2ccccc2CCc2c1cccc2)C)C,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3/p+1/t16-/m1/s1",-6.0492,-4.6065,-4.6047,-4.5445,-2.0336,-1.3530000000000002,1.4565,1.4687,1.5605,1.5806,1.5958,D00394_N06AA06,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,070040020500000000000000000000000000000000000000000000000000000000004600c02204,0000040000000100008632121809248340b35dad17,0,12,39,0,0,4,49,51,-11.344000000000001,-3.86,1,,0.046259884,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D00394
4545,D02408, Trimipramine maleate (JAN/USAN), Non-selective monoamine reuptake inhibitors,N06AA06,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)C[C@@H](C[NH+](C)C)C)cccc2,295.442,2.7689,99.8287,7.68,28,1,0,ZSCDBOWYZJWBIY-MRXNPFEDSA-O,C20H27N2+,C[NH+](CC(CN1c2ccccc2CCc2c1cccc2)C)C,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3/p+1/t16-/m1/s1",-6.0520000000000005,-4.6078,-4.5982,-4.5514,-2.0406,-1.3533,1.46,1.4718,1.561,1.5814,1.5904,D02408_N06AA06,000700208000000012002600008008008010000008000002000000800008000010004000000000200000101800011060010000000a0000080000000200c0040002000000400002000000000000000000008000400400300860094800002800004000000010000000400000000000002000060100000110000000000002400000,0100000000f021,070040020500000000000000000000000000000000000000000000000000000000004600c02204,0000040000000100008632121809248340b35dad17,0,12,39,0,0,4,49,51,-11.342,-3.859,1,,0.046250396,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D02408
4546,D08140, Lofepramine (INN), Non-selective monoamine reuptake inhibitors,N06AA07,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[N@H+](CC(=O)c1ccc(cc1)Cl)C)cccc2,419.966,4.4294,129.747,24.75,30,1,1,SAPNXPWPAUFAJU-UHFFFAOYSA-O,C26H28ClN2O+,C[NH+](CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2,"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3/p+1",-6.015,-5.0743,-4.6167,-4.5648,-2.8248,-2.2804,1.599,1.6116,1.788,1.7894,2.2538,D08140_N06AA07,002702208040008012002600008008048010000008000402000000800028000014004081000000200003321800011060010200000a0000080000000200c004000200000040000280000000002680000200a80040040030086009480080280000400000001000000040000000000000200006010000011000000c000002c00000,1500000000f021,020040020500010000000000000000000001000000040000000000000000000000004640c02a04,000004000000010000847252d84d2c8369a3cdaf1f,0,18,42,1,0,7,58,61,-11.123,-4.052,1,0.0,0.694064558,+,1.0135,-,1.0135,https://www.genome.jp/dbget-bin/www_bget?dr:D08140
4547,D01285, Lofepramine hydrochloride (JAN/USAN), Non-selective monoamine reuptake inhibitors,N06AA07,NERVOUS SYSTEM,C1c2c(N(c3c(C1)cccc3)CCC[N@@H+](CC(=O)c1ccc(cc1)Cl)C)cccc2,419.966,4.4294,129.747,24.75,30,1,1,SAPNXPWPAUFAJU-UHFFFAOYSA-O,C26H28ClN2O+,C[NH+](CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2,"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3/p+1",-6.0675,-5.0280000000000005,-4.5875,-4.526,-2.802,-2.2477,1.5937,1.6161,1.7542,1.7545,2.2622,D01285_N06AA07,002702208040008012002600008008048010000008000402000000800028000014004081000000200003321800011060010200000a0000080000000200c004000200000040000280000000002680000200a80040040030086009480080280000400000001000000040000000000000200006010000011000000c000002c00000,1500000000f021,020040020500010000000000000000000001000000040000000000000000000000004640c02a04,000004000000010000847252d84d2c8369a3cdaf1f,0,18,42,1,0,7,58,61,-11.235999999999999,-4.069,1,-1.0,0.697296202,+,1.0135,-,1.0135,https://www.genome.jp/dbget-bin/www_bget?dr:D01285
4548,D07812, Dibenzepin (INN), Non-selective monoamine reuptake inhibitors,N06AA08,NERVOUS SYSTEM,c1(=O)c2c(n(c3c(n1CC[NH+](C)C)cccc3)C)cccc2,296.387,1.1999,93.6167,31.37,23,1,3,QPGGEKPRGVJKQB-UHFFFAOYSA-O,C18H22N3O+,C[NH+](CCn1c2ccccc2n(c2c(c1=O)cccc2)C)C,"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3/p+1",-5.9537,-4.6379,-4.6202,-4.5726,-3.6363,-2.6649,1.5736,1.5858,1.6061,1.7058,2.0069,D07812_N06AA08,0002000000000c0010000600000000080000040000800000000000c00000000c000030804000802118800038000000c00000000000006000004000000000800804000400c00834000000e00100880000008001400400200ce00800c00100200600000000008000002000000040000c0000070040000000000000800022000002,0100000000f001,000040020400000000008000200000004003000000008900000000000000000000004640c02200,000004000000010001c632189961bd4300f37daf1f,0,17,28,1,0,3,44,46,-11.229000000000001,-4.17,0,3.0,0.001863215,+,0.5691,-,0.5691,https://www.genome.jp/dbget-bin/www_bget?dr:D07812
4549,D01314, Dibenzepin hydrochloride (JAN/USAN), Non-selective monoamine reuptake inhibitors,N06AA08,NERVOUS SYSTEM,c1(=O)c2c(n(c3c(n1CC[NH+](C)C)cccc3)C)cccc2,296.387,1.1999,93.6167,31.37,23,1,3,QPGGEKPRGVJKQB-UHFFFAOYSA-O,C18H22N3O+,C[NH+](CCn1c2ccccc2n(c2c(c1=O)cccc2)C)C,"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3/p+1",-6.0129,-4.6143,-4.6063,-4.5741,-3.6519999999999997,-2.6699,1.5835,1.5932,1.6856,1.7007,2.0705,D01314_N06AA08,0002000000000c0010000600000000080000040000800000000000c00000000c000030804000802118800038000000c00000000000006000004000000000800804000400c00834000000e00100880000008001400400200ce00800c00100200600000000008000002000000040000c0000070040000000000000800022000002,0100000000f001,000040020400000000008000200000004003000000008900000000000000000000004640c02200,000004000000010001c632189961bd4300f37daf1f,0,17,28,1,0,3,44,46,-11.23,-4.17,0,,0.0018621229999999998,+,0.5691,-,0.5691,https://www.genome.jp/dbget-bin/www_bget?dr:D01314
4550,D07448, Amitriptyline (INN), Non-selective monoamine reuptake inhibitors,N06AA09,NERVOUS SYSTEM,C1c2c(C(=CCC[NH+](C)C)c3c(C1)cccc3)cccc2,278.411,2.7515,92.2197,4.44,24,1,0,KRMDCWKBEZIMAB-UHFFFAOYSA-O,C20H24N+,C[NH+](CCC=C1c2ccccc2CCc2c1cccc2)C,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3/p+1",-6.037000000000001,-4.6235,-4.6084,-4.569,-0.8068,-0.7469,1.436,1.4678,1.4680000000000002,1.5779,1.5815,D07448_N06AA09,0007000000000004020c0600800040020000004000204000010000a0000000011008400000c0400000001018000110000100000000001000400000020004000002000000020000000000200000000000008000400000300840081800000800040104000180040880022000000000002200060100000310000000000800000800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004240c02200,0000040000000300000a32109c412c0200805da517,0,12,34,1,0,3,45,47,-11.764000000000001,-3.9330000000000003,0,2.0,0.060701082999999996,+,0.5735,-,0.5735,https://www.genome.jp/dbget-bin/www_bget?dr:D07448
4551,D00809, Amitriptyline hydrochloride (JP17/USP), Non-selective monoamine reuptake inhibitors,N06AA09,NERVOUS SYSTEM,C1c2c(C(=CCC[NH+](C)C)c3c(C1)cccc3)cccc2,278.411,2.7515,92.2197,4.44,24,1,0,KRMDCWKBEZIMAB-UHFFFAOYSA-O,C20H24N+,C[NH+](CCC=C1c2ccccc2CCc2c1cccc2)C,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3/p+1",-6.0326,-4.6165,-4.6053,-4.5729,-0.8145,-0.7472,1.4383,1.4592,1.4699,1.5766,1.5784,D00809_N06AA09,0007000000000004020c0600800040020000004000204000010000a0000000011008400000c0400000001018000110000100000000001000400000020004000002000000020000000000200000000000008000400000300840081800000800040104000180040880022000000000002200060100000310000000000800000800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004240c02200,0000040000000300000a32109c412c0200805da517,0,12,34,1,0,3,45,47,-11.76,-3.9330000000000003,0,,0.060686391,+,0.5735,-,0.5735,https://www.genome.jp/dbget-bin/www_bget?dr:D00809
4552,D08288, Nortriptyline (INN), Non-selective monoamine reuptake inhibitors,N06AA10,NERVOUS SYSTEM,C1c2c(C(=CCC[NH2+]C)c3c(C1)cccc3)cccc2,264.385,2.8002,87.3184,16.61,22,1,0,PHVGLTMQBUFIQQ-UHFFFAOYSA-O,C19H22N+,C[NH2+]CCC=C1c2ccccc2CCc2c1cccc2,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3/p+1",-5.71,-5.6919,-4.4329,-4.3863,-0.8191,-0.7248,1.4468,1.5659,1.5727,1.5787,1.5862,D08288_N06AA10,0007000000000004020c0600800040020000004000204000010000a0000000011008400000c0400000001018000110000100000000001000400000020004000002000000020000000000200000000000008000400000300840081800000800040104000180040880022000000000002200060100000310000000000800000800,0100000000f001,120040010400000000000000000000000000000000000000000000000000000000004240c02200,000004000000030000082a109c412c00008045a517,0,12,31,1,0,3,42,44,-11.767000000000001,-4.031000000000001,0,-1.0,0.015559738,+,0.5491,-,0.5491,https://www.genome.jp/dbget-bin/www_bget?dr:D08288
4553,D00816, Nortriptyline hydrochloride (JP17/USP/I, Non-selective monoamine reuptake inhibitors,N06AA10,NERVOUS SYSTEM,C1c2c(C(=CCC[NH2+]C)c3c(C1)cccc3)cccc2,264.385,2.8002,87.3184,16.61,22,1,0,PHVGLTMQBUFIQQ-UHFFFAOYSA-O,C19H22N+,C[NH2+]CCC=C1c2ccccc2CCc2c1cccc2,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3/p+1",-5.7061,-5.6899,-4.4212,-4.388999999999999,-0.8126,-0.7203,1.4577,1.5609,1.5693,1.574,1.5784,D00816_N06AA10,0007000000000004020c0600800040020000004000204000010000a0000000011008400000c0400000001018000110000100000000001000400000020004000002000000020000000000200000000000008000400000300840081800000800040104000180040880022000000000002200060100000310000000000800000800,0100000000f001,120040010400000000000000000000000000000000000000000000000000000000004240c02200,000004000000030000082a109c412c00008045a517,0,12,31,1,0,3,42,44,-11.769,-4.031000000000001,0,,0.015517679,+,0.5491,-,0.5491,https://www.genome.jp/dbget-bin/www_bget?dr:D00816
4554,D08447, Protriptyline (INN), Non-selective monoamine reuptake inhibitors,N06AA11,NERVOUS SYSTEM,C1=Cc2c([C@@H](c3c1cccc3)CCC[NH2+]C)cccc2,264.385,3.2757,88.1104,16.61,22,1,0,BWPIARFWQZKAIA-UHFFFAOYSA-O,C19H22N+,C[NH2+]CCCC1c2ccccc2C=Cc2c1cccc2,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3/p+1",-5.711,-5.7093,-4.4077,-4.3988,-0.9464,-0.5195,1.4539,1.5682,1.5742,1.5766,1.5892,D08447_N06AA11,000600000000000402000600800040020000005000204000010000a0000000001000500000400000000000180001100001000000000000000000000200040004020000002300000000002000000000000080014000013008c0080800000810040004000180040080002000000000002000060100020110000001000100000800,0100000000f001,160040010400000000000000000000000000000000000000000000000000000000004240c32204,000004000000010000002a129c492c00008045a517,0,12,31,1,0,4,42,44,-11.087,-4.059,0,0.0,0.016590159,+,0.8749,+,0.8749,https://www.genome.jp/dbget-bin/www_bget?dr:D08447
4555,D00484, Protriptyline hydrochloride (USP), Non-selective monoamine reuptake inhibitors,N06AA11,NERVOUS SYSTEM,C1=Cc2c([C@@H](c3c1cccc3)CCC[NH2+]C)cccc2,264.385,3.2757,88.1104,16.61,22,1,0,BWPIARFWQZKAIA-UHFFFAOYSA-O,C19H22N+,C[NH2+]CCCC1c2ccccc2C=Cc2c1cccc2,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3/p+1",-5.7129,-5.7007,-4.4212,-4.3859,-0.8458,-0.4207,1.4495,1.5655,1.5695,1.575,1.5963,D00484_N06AA11,000600000000000402000600800040020000005000204000010000a0000000001000500000400000000000180001100001000000000000000000000200040004020000002300000000002000000000000080014000013008c0080800000810040004000180040080002000000000002000060100020110000001000100000800,0100000000f001,160040010400000000000000000000000000000000000000000000000000000000004240c32204,000004000000010000002a129c492c00008045a517,0,12,31,1,0,4,42,44,-11.09,-4.0569999999999995,0,,0.016560048,+,0.8749,+,0.8749,https://www.genome.jp/dbget-bin/www_bget?dr:D00484
4556,D07875, Doxepin (INN), Non-selective monoamine reuptake inhibitors,N06AA12,NERVOUS SYSTEM,C1c2c(/C(=C/CC[NH+](C)C)/c3c(O1)cccc3)cccc2,280.384,2.5453,88.9387,13.67,23,1,1,ODQWQRRAPPTVAG-BOPFTXTBSA-O,C19H22NO+,C[NH+](CCC=C1c2ccccc2OCc2c1cccc2)C,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-11-",-6.0207,-4.6242,-4.6213,-4.5776,-1.537,-1.1655,1.439,1.4618,1.4768,1.5730000000000002,1.5782,D07875_N06AA12,0006000000000046030c0680810340020000004001204000002200e0004000011010d00208c0200020000018000010000000020004000010408000020004000008200802030000010000210002008000008800400000240840081800040100000006020580040882004400800010200200060100080310200800000800000804,0100000050f001,120042020400000000000000000000000000000000000000000000000000000000004640c02200,0000040000000301000a32109c512d020083ddb51f,0,12,32,1,0,3,43,45,-12.035,-3.784,0,0.0,0.059838165,+,0.4406,-,0.4406,https://www.genome.jp/dbget-bin/www_bget?dr:D07875
4557,D00814, Doxepin hydrochloride (USP), Non-selective monoamine reuptake inhibitors,N06AA12,NERVOUS SYSTEM,C1c2c(/C(=C/CC[NH+](C)C)/c3c(O1)cccc3)cccc2,280.384,2.5453,88.9387,13.67,23,1,1,ODQWQRRAPPTVAG-BOPFTXTBSA-O,C19H22NO+,C[NH+](CCC=C1c2ccccc2OCc2c1cccc2)C,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-11-",-6.0256,-4.6292,-4.6081,-4.5826,-1.5275,-1.1732,1.4393,1.4558,1.4813,1.5746,1.5783,D00814_N06AA12,0006000000000046030c0680810340020000004001204000002200e0004000011010d00208c0200020000018000010000000020004000010408000020004000008200802030000010000210002008000008800400000240840081800040100000006020580040882004400800010200200060100080310200800000800000804,0100000050f001,120042020400000000000000000000000000000000000000000000000000000000004640c02200,0000040000000301000a32109c512d020083ddb51f,0,12,32,1,0,3,43,45,-12.030999999999999,-3.7889999999999997,0,,0.059842980999999996,+,0.4406,-,0.4406,https://www.genome.jp/dbget-bin/www_bget?dr:D00814
4558,D04605, Iprindole (USAN/INN), Non-selective monoamine reuptake inhibitors,N06AA13,NERVOUS SYSTEM,C1Cc2c(CCCC1)n(c1c2cccc1)CCC[NH+](C)C,285.447,2.8349,93.6277,9.37,29,1,1,PLIGPBGDXASWPX-UHFFFAOYSA-O,C19H29N2+,C[NH+](CCCn1c2CCCCCCc2c2c1cccc2)C,"InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3/p+1",-6.0368,-4.6163,-4.5961,-4.5568,-0.903,-0.5924,1.4304,1.4583,1.4677,1.5698,1.5832,D04605_N06AA13,200600200002060052008600060000008000001004000008010000c00020040014045080004080201880001800011040010000000824200004008086000010000400040a6000030000886400000800080080814004803008c009081000086000010100200020000102000000205104001806815002111000004800010a000000,0100000000f001,020040020400000000000000000000000000000000008800000000000000000000004600c02200,00000000000001000186369298492c8301a35cad17,0,10,42,0,0,4,50,52,-10.786,-4.095,0,1.0,0.034642294,+,1.1104,-,1.1104,https://www.genome.jp/dbget-bin/www_bget?dr:D04605
4559,D08171, Melitracen (INN), Non-selective monoamine reuptake inhibitors,N06AA14,NERVOUS SYSTEM,CC1(C)c2ccccc2C(=CCC[NH+](C)C)c2c1cccc2,292.438,3.2922,96.9097,4.44,26,1,0,GWWLWDURRGNSRS-UHFFFAOYSA-O,C21H26N+,C[NH+](CCC=C1c2ccccc2C(c2c1cccc2)(C)C)C,"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3/p+1",-6.0245,-4.6253,-4.6129,-4.5674,-0.8508,-0.8221,1.4369999999999998,1.452,1.4797,1.5771,1.579,D08171_N06AA14,0006000000000004020c0600800040020000004000204000000000a0000000011000400000c0000000000018000010000000000000001000400000020004000002000000030000000000200000000000008000400000200840081800000000000104000180040890000000000000002200060100000310000000000800000800,0100000000f001,1b0040020400000000000000000000000000000000000000000000000000000000004240c02200,0000000000000300020a32109cc12c0200905da517,0,12,37,1,0,3,48,50,-11.597000000000001,-3.927,0,-1.0,0.001145205,+,0.6961,-,0.6961,https://www.genome.jp/dbget-bin/www_bget?dr:D08171
4560,D01110, Melitracen hydrochloride (JAN/USAN), Non-selective monoamine reuptake inhibitors,N06AA14,NERVOUS SYSTEM,CC1(C)c2ccccc2C(=CCC[NH+](C)C)c2c1cccc2,292.438,3.2922,96.9097,4.44,26,1,0,GWWLWDURRGNSRS-UHFFFAOYSA-O,C21H26N+,C[NH+](CCC=C1c2ccccc2C(c2c1cccc2)(C)C)C,"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3/p+1",-6.0408,-4.6223,-4.6051,-4.5617,-0.8164,-0.7529,1.4352,1.4637,1.4694,1.5717,1.5807,D01110_N06AA14,0006000000000004020c0600800040020000004000204000000000a0000000011000400000c0000000000018000010000000000000001000400000020004000002000000030000000000200000000000008000400000200840081800000000000104000180040890000000000000002200060100000310000000000800000800,0100000000f001,1b0040020400000000000000000000000000000000000000000000000000000000004240c02200,0000000000000300020a32109cc12c0200905da517,0,12,37,1,0,3,48,50,-11.591,-3.931,0,,0.001144829,+,0.6961,-,0.6961,https://www.genome.jp/dbget-bin/www_bget?dr:D01110
4561,D07601, Butriptyline (INN), Non-selective monoamine reuptake inhibitors,N06AA15,NERVOUS SYSTEM,C1c2c(C(c3c(C1)cccc3)C[C@H](C[NH+](C)C)C)cccc2,294.454,3.0878,96.7087,4.44,28,1,0,ALELTFCQZDXAMQ-MRXNPFEDSA-O,C21H28N+,C[NH+](CC(CC1c2ccccc2CCc2c1cccc2)C)C,"InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3/p+1/t16-/m1/s1",-6.0502,-4.6168,-4.5926,-4.591,-0.8646,-0.5138,1.4385,1.4662,1.4712,1.5699,1.5826,D07601_N06AA15,000700000000000002000600800000020000005000000000010000a0000000001008500000404000000010180001000001000000000010000000000200000000000000002000000000002000000000000080014000003008c0080800000810040100000100040000020000000000000000060100020110000000000100000000,0100000000f001,070040020400000000000000000000000000000000000000000000000000000000004200c02204,0000040000000100000232121809248200905da517,0,12,40,0,0,4,50,52,-11.597999999999999,-4.022,1,0.0,0.07861875,+,0.9893,+,0.9893,https://www.genome.jp/dbget-bin/www_bget?dr:D07601
4562,D03199, Butriptyline hydrochloride (USAN), Non-selective monoamine reuptake inhibitors,N06AA15,NERVOUS SYSTEM,C1c2c(C(c3c(C1)cccc3)C[C@H](C[NH+](C)C)C)cccc2,294.454,3.0878,96.7087,4.44,28,1,0,ALELTFCQZDXAMQ-MRXNPFEDSA-O,C21H28N+,C[NH+](CC(CC1c2ccccc2CCc2c1cccc2)C)C,"InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3/p+1/t16-/m1/s1",-6.0495,-4.618,-4.5955,-4.5863,-0.8655,-0.5235,1.4404,1.4646,1.4686,1.5673,1.5827,D03199_N06AA15,000700000000000002000600800000020000005000000000010000a0000000001008500000404000000010180001000001000000000010000000000200000000000000002000000000002000000000000080014000003008c0080800000810040100000100040000020000000000000000060100020110000000000100000000,0100000000f001,070040020400000000000000000000000000000000000000000000000000000000004200c02204,0000040000000100000232121809248200905da517,0,12,40,0,0,4,50,52,-11.595999999999998,-4.023,1,,0.07860215799999999,+,0.9893,+,0.9893,https://www.genome.jp/dbget-bin/www_bget?dr:D03199
4563,D07872, Dosulepin (INN), Non-selective monoamine reuptake inhibitors,N06AA16,NERVOUS SYSTEM,C1c2c(/C(=C/CC[NH+](C)C)/c3c(S1)cccc3)cccc2,296.45,3.2586,94.1677,29.74,23,1,1,PHTUQLWOUWZIMZ-BOPFTXTBSA-O,C19H22NS+,C[NH+](CCC=C1c2ccccc2SCc2c1cccc2)C,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-11-",-6.0317,-4.6174,-4.5947,-4.5706,-0.9804,-0.8845,1.4445,1.4454,1.479,1.5719999999999998,1.5775,D07872_N06AA16,2006010000000414420c0f00800040020000004000204000000000a4002000011900400000c0804000004018000010800000000000000000420100020804002400400000020000000100244000110008088000600004600840481a0080000000000400018004088020001008000002020006110000271201008a800812020800,0100000000f101,120048022400000000000000000000000000000000000000000000000000000000004640c02200,0000040008000304000ab3109c412c0200835da517,0,12,32,1,0,3,43,45,-11.209000000000001,-3.888,0,0.0,0.199364528,+,0.6125,-,0.6125,https://www.genome.jp/dbget-bin/www_bget?dr:D07872
4564,D01546, Dothiepin hydrochloride (USAN), Non-selective monoamine reuptake inhibitors,N06AA16,NERVOUS SYSTEM,C1c2c(/C(=C/CC[NH+](C)C)/c3c(S1)cccc3)cccc2,296.45,3.2586,94.1677,29.74,23,1,1,PHTUQLWOUWZIMZ-BOPFTXTBSA-O,C19H22NS+,C[NH+](CCC=C1c2ccccc2SCc2c1cccc2)C,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-11-",-6.0054,-4.6275,-4.6195,-4.5849,-1.0304,-0.9839,1.4427,1.4536,1.4869,1.5738,1.5805,D01546_N06AA16,2006010000000414420c0f00800040020000004000204000000000a4002000011900400000c0804000004018000010800000000000000000420100020804002400400000020000000100244000110008088000600004600840481a0080000000000400018004088020001008000002020006110000271201008a800812020800,0100000000f101,120048022400000000000000000000000000000000000000000000000000000000004640c02200,0000040008000304000ab3109c412c0200835da517,0,12,32,1,0,3,43,45,-11.208,-3.889,0,1.0,0.19894424100000002,+,0.6125,-,0.6125,https://www.genome.jp/dbget-bin/www_bget?dr:D01546
4565,D00228, Amoxapine (JP17/USP/INN), Non-selective monoamine reuptake inhibitors,N06AA17,NERVOUS SYSTEM,C1(=[NH]c2c(Oc3c1cc(cc3)Cl)cccc2)N1CC[NH2+]CC1,315.797,3.5599,101.115,52.93,21,2,2,ROGHKKQASWQEHA-UHFFFAOYSA-O,C17H18ClN3O+,Clc1ccc2c(c1)C(=[NH]c1c(O2)cccc1)N1CC[NH2+]CC1,"InChI=1S/C17H17ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19-20H,7-10H2/p+1",-6.4308,-5.6834,-5.6757,-5.1517,-4.3595,-4.3594,2.0401,2.2941,2.2949,2.3221,3.3259,D00228_N06AA17,000202000004064460048600380308080008218000041040000000c800200800000040022002002300810028000140410000020000a000010004020a0008030288601800c104008108a000400608000230880044040020184b081100040500000014400214c0001600010000003040800006010c080100202800040846800000,0100000090f021,000044110400000000008000000000000000000000040000000000000000000000004640c02200,000004002000012100747a46db45e18375a3cd391f,0,12,30,1,0,1,40,43,-15.407,-8.484,0,-1.0,3.0908599999999994e-08,+,0.7526,-,0.7526,https://www.genome.jp/dbget-bin/www_bget?dr:D00228
4566,D02565, Dimetacrine (INN), Non-selective monoamine reuptake inhibitors,N06AA18,NERVOUS SYSTEM,c1ccc2c(c1)N(c1c(C2(C)C)cccc1)CCC[NH+](C)C,295.442,3.0636,99.7117,7.68,28,1,0,RYQOGSFEJBUZBX-UHFFFAOYSA-O,C20H27N2+,C[NH+](CCCN1c2ccccc2C(c2c1cccc2)(C)C)C,"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3/p+1",-6.0352,-4.6243,-4.6066,-4.5622,-2.0501,-1.3647,1.4582,1.4717,1.5798,1.5816,1.5893,D02565_N06AA18,000600200000000012002600808008008010004008000002000000a000000000100040000000002000000018000010600000000002000008010000020080040002000000400802000000000000000000008000400400200860090800002000004000000110000000400008002000002000060100000110000000000002400000,0100000000f021,0b0040020500000000000000000000000000000000000000000000000000000000004600c02200,0000000000000100028632129ac92c0340b35dad17,0,12,39,0,0,4,49,51,-11.089,-4.018,0,,0.029220463999999998,+,0.6856,-,0.6856,https://www.genome.jp/dbget-bin/www_bget?dr:D02565
4567,D07335, Amineptine (INN), Non-selective monoamine reuptake inhibitors,N06AA19,NERVOUS SYSTEM,c12c(C(c3c(CC1)cccc3)[NH2+]CCCCCCC(=O)O)cccc2,338.463,3.4731,103.193,53.91,29,2,2,ONNOFKFOZAJDHT-UHFFFAOYSA-O,C22H28NO2+,OC(=O)CCCCCC[NH2+]C1c2ccccc2CCc2c1cccc2,"InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)/p+1",-6.7599,-5.7387,-5.7195,-4.6087,-4.3789,-4.3619,1.7643,2.1972,2.3931,2.4535,2.5012,D07335_N06AA19,00070000000006200200860080010002000000d000400000010000e0000000001008500000404001108a1018000102000102000000205000000000020000000008000800000400000000a0008a8800040090014000003008c0080800000800040110002300040000020000000000080000060110000110000000000108000100,0500000c00f003,020040010400000000008800000000000000000000000000000000000000000000004200c02a00,000004000000010000000a06984120841d84457f1f,0,12,42,1,0,8,53,55,-5.865,-2.1109999999999998,0,0.0,0.002886659,-,0.8512,-,0.8512,https://www.genome.jp/dbget-bin/www_bget?dr:D07335
4568,D02566, Maprotiline (USAN), Non-selective monoamine reuptake inhibitors,N06AA21,NERVOUS SYSTEM,C1C[C@H]2c3c([C@@]1(c1c2cccc1)CCC[NH2+]C)cccc3,278.411,3.1852,89.5764,16.61,24,1,0,QSLMDECMDJKHMQ-GSXCWMCISA-O,C20H24N+,C[NH2+]CCCC12CCC(c3c1cccc3)c1c2cccc1,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/p+1/t15-,20+",-5.7151,-5.7028,-4.4038,-4.3872,-0.8257,-0.5258,1.4419,1.56,1.5717,1.5831,1.5859,D02566_N06AA21,000600000000020002000600820000020000005000000000010000a0000000001000500000400000100000180001000001000000002010000000000200020000000000002000000000002000000000000080014000003008c0080800000810000100000100040010020000000000000000060100020110000000000100000000,0100000000f001,0e0040010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000010002002a1298c92c80018045a517,0,12,36,0,0,4,45,48,-11.767999999999999,-4.099,0,1.0,0.011496336000000001,+,1.1888,-,1.1888,https://www.genome.jp/dbget-bin/www_bget?dr:D02566
4569,D00818, Maprotiline hydrochloride (JP17/USP), Non-selective monoamine reuptake inhibitors,N06AA21,NERVOUS SYSTEM,C1C[C@H]2c3c([C@@]1(c1c2cccc1)CCC[NH2+]C)cccc3,278.411,3.1852,89.5764,16.61,24,1,0,QSLMDECMDJKHMQ-GSXCWMCISA-O,C20H24N+,C[NH2+]CCCC12CCC(c3c1cccc3)c1c2cccc1,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/p+1/t15-,20+",-5.7089,-5.6985,-4.4082,-4.3955,-0.8201,-0.5249,1.4403,1.5641,1.5713,1.5842,1.5894,D00818_N06AA21,000600000000020002000600820000020000005000000000010000a0000000001000500000400000100000180001000001000000002010000000000200020000000000002000000000002000000000000080014000003008c0080800000810000100000100040010020000000000000000060100020110000000000100000000,0100000000f001,0e0040010400000000000000000000000000000000000000000000000000000000004200c02204,000000000000010002002a1298c92c80018045a517,0,12,36,0,0,4,45,48,-11.770999999999999,-4.0969999999999995,0,0.0,0.012159461000000002,+,1.1888,-,1.1888,https://www.genome.jp/dbget-bin/www_bget?dr:D00818
4570,D07336, Quinupramine (INN), Non-selective monoamine reuptake inhibitors,N06AA23,NERVOUS SYSTEM,[C@@H]1([C@H]2CC[N@H+](CC2)C1)N1c2c(CCc3c1cccc3)cccc2,305.437,4.2346,104.02799999999999,7.68,26,1,0,JCBQCKFFSPGEDY-OAQYLSRUSA-O,C21H25N2+,c1ccc2c(c1)N(C1C[NH+]3CCC1CC3)c1ccccc1CC2,"InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2/p+1/t21-/m1/s1",-6.0389,-4.6073,-4.5887,-4.5444,-2.0063,-2.0046,1.4634,1.5596,1.565,1.5678,1.7029,D07336_N06AA23,000700208000000002002600008008088010001008000002000000800008000012005002010000200000103800011040010200000a0000080000000200c02400020000004000020000200000020000000080035004003008c00a4800002820004000002010000000402000000000002000060104200110000000000102400000,0100000000f021,06004002050000000000000000000000000000000000000000000000000000000000c600c02204,0000040000000120004432049a41a08351a34d2917,0,12,40,0,0,1,48,52,-11.56,-3.734,1,0.0,0.064734496,+,1.4512,-,1.4512,https://www.genome.jp/dbget-bin/www_bget?dr:D07336
4571,D06367, Zimeldine hydrochloride (USAN), Selective serotonin reuptake inhibitors,N06AB02,NERVOUS SYSTEM,c1c(ccc(c1)/C(=C/C[NH+](C)C)/c1cnccc1)Br,318.232,2.4203,85.0897,17.33,19,1,1,OYPPVKRFBIWMSX-SXGWCWSVSA-O,C16H18BrN2+,C[NH+](CC=C(c1cccnc1)c1ccc(cc1)Br)C,"InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/p+1/b16-9-",-6.0523,-5.8469,-4.6183,-4.612,-1.7731,-1.1888,1.5856,1.5859999999999999,1.6779,1.8353,1.8591,D06367_N06AB02,000600080800002402000600800040000000014000205208010000a0000004001000400000008020008400080000004002008000000420000405000200040120040044000200400000000100100800000080004004002008402848000000400000040001802000800000000004100400100601020041000000c0000002400008,0100000000f001,100040020400000000000000000000000000000000109000000000000000000000000640c02200,0000000000200300010a72100e040403202159a517,0,12,25,1,0,4,37,38,-12.169,-4.126,0,-1.0,0.01837205,+,0.2543,-,0.2543,https://www.genome.jp/dbget-bin/www_bget?dr:D06367
4572,D00326, Fluoxetine (USAN/INN), Selective serotonin reuptake inhibitors,N06AB03,NERVOUS SYSTEM,[C@@H](c1ccccc1)(Oc1ccc(cc1)C(F)(F)F)CC[NH2+]C,310.334,3.4088,80.9034,25.84,20,1,1,RTHCYVBBDHJXIQ-MRXNPFEDSA-O,C17H19F3NO+,FC(c1ccc(cc1)OC(c1ccccc1)CC[NH2+]C)(F)F,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1",-5.7018,-5.7005,-4.3951,-4.3465,-4.1886,-4.1833,1.4408,1.5531,1.5581,1.5803,1.5811,D00326_N06AB03,40060000000010400a00060000020000000000900004020000200080000000001010c0008000000120000018000100000100020000008000000000020000200008200c020100000100000101020080000080004000003008d0080800000900000000000000040402004000020010000000060100080110200802000000000004,0100000050f001,020142010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000002a1089c62d602840c5b51f,3,12,30,0,0,7,41,42,-12.425,-4.321000000000001,1,1.0,0.0074421209999999995,-,0.7151,-,0.7151,https://www.genome.jp/dbget-bin/www_bget?dr:D00326
4573,D00823, Fluoxetine hydrochloride (JAN/USP), Selective serotonin reuptake inhibitors,N06AB03,NERVOUS SYSTEM,[C@@H](c1ccccc1)(Oc1ccc(cc1)C(F)(F)F)CC[NH2+]C,310.334,3.4088,80.9034,25.84,20,1,1,RTHCYVBBDHJXIQ-MRXNPFEDSA-O,C17H19F3NO+,FC(c1ccc(cc1)OC(c1ccccc1)CC[NH2+]C)(F)F,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1",-5.7052,-5.6849,-4.4179,-4.4025,-4.1871,-4.1865,1.5686,1.5755,1.5796,1.5879,1.689,D00823_N06AB03,40060000000010400a00060000020000000000900004020000200080000000001010c0008000000120000018000100000100020000008000000000020000200008200c020100000100000101020080000080004000003008d0080800000900000000000000040402004000020010000000060100080110200802000000000004,0100000050f001,020142010400000000000000000000000000000000000000000000000000000000000200e02204,000000000002010000002a1089c62d602840c5b51f,3,12,30,0,0,7,41,42,-12.423,-4.32,1,0.0,0.007441699,-,0.7151,-,0.7151,https://www.genome.jp/dbget-bin/www_bget?dr:D00823
4574,D07704, Citalopram (USP/INN), Selective serotonin reuptake inhibitors,N06AB04,NERVOUS SYSTEM,[C@@]1(c2c(CO1)cc(cc2)C#N)(c1ccc(cc1)F)CCC[NH+](C)C,325.4,2.39588,92.5767,37.46,24,1,2,WSEQXVZVJXJVFP-HXUWFJFHSA-O,C20H22FN2O+,N#Cc1ccc2c(c1)COC2(CCC[NH+](C)C)c1ccc(cc1)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1",-6.0421,-4.6102,-4.5977,-4.5551,-3.3593,-3.123,1.4511,1.4719,1.5662,1.5787,1.5862,D07704_N06AB04,000e00020400004002840600800200020100005000020800012200a00004000010005000004400012000001820050000010010400000e0008002000200004000081008022000000000102100000000000088814000003008c0088800000910000000000500040000104000083100100000074502020110000000000100000000,0100000030f011,028040020400000000000000000000001000000000080000000000000000000000004680c02204,00000000000301210202769298dd2c8229a3ddb51f,1,12,35,0,1,5,46,48,-12.204,-4.146,1,0.0,0.045333135999999996,-,0.7184,-,0.7184,https://www.genome.jp/dbget-bin/www_bget?dr:D07704
4575,D00822, Citalopram hydrobromide (USAN), Selective serotonin reuptake inhibitors,N06AB04,NERVOUS SYSTEM,[C@@]1(c2c(CO1)cc(cc2)C#N)(c1ccc(cc1)F)CCC[NH+](C)C,325.4,2.39588,92.5767,37.46,24,1,2,WSEQXVZVJXJVFP-HXUWFJFHSA-O,C20H22FN2O+,N#Cc1ccc2c(c1)COC2(CCC[NH+](C)C)c1ccc(cc1)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1",-6.0409,-4.6052,-4.6033,-4.547,-3.3682,-3.1186,1.4596,1.4753,1.5637,1.5806,1.5847,D00822_N06AB04,000e00020400004002840600800200020100005000020800012200a00004000010005000004400012000001820050000010010400000e0008002000200004000081008022000000000102100000000000088814000003008c0088800000910000000000500040000104000083100100000074502020110000000000100000000,0100000030f011,028040020400000000000000000000001000000000080000000000000000000000004680c02204,00000000000301210202769298dd2c8229a3ddb51f,1,12,35,0,1,5,46,48,-12.207,-4.143,1,1.0,0.045331280999999994,-,0.7184,-,0.7184,https://www.genome.jp/dbget-bin/www_bget?dr:D00822
4576,D07705, Citalopram hydrochloride, Selective serotonin reuptake inhibitors,N06AB04,NERVOUS SYSTEM,[C@@]1(c2c(CO1)cc(cc2)C#N)(c1ccc(cc1)F)CCC[NH+](C)C,325.4,2.39588,92.5767,37.46,24,1,2,WSEQXVZVJXJVFP-HXUWFJFHSA-O,C20H22FN2O+,N#Cc1ccc2c(c1)COC2(CCC[NH+](C)C)c1ccc(cc1)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1",-6.0416,-4.6095,-4.5988,-4.5599,-3.3613,-3.1206,1.4593,1.4718,1.5653,1.5795,1.5841,D07705_N06AB04,000e00020400004002840600800200020100005000020800012200a00004000010005000004400012000001820050000010010400000e0008002000200004000081008022000000000102100000000000088814000003008c0088800000910000000000500040000104000083100100000074502020110000000000100000000,0100000030f011,028040020400000000000000000000001000000000080000000000000000000000004680c02204,00000000000301210202769298dd2c8229a3ddb51f,1,12,35,0,1,5,46,48,-12.204,-4.146,1,2.0,0.045333135999999996,-,0.7184,-,0.7184,https://www.genome.jp/dbget-bin/www_bget?dr:D07705
4577,D02362, Paroxetine (USP/INN), Selective serotonin reuptake inhibitors,N06AB05,NERVOUS SYSTEM,[C@@H]1([C@H](COc2cc3c(cc2)OCO3)C[NH2+]CC1)c1ccc(cc1)F,330.37300000000005,3.8695,93.0424,44.3,24,1,3,AHOUBRCZNHFOSL-YOEHRIQHSA-O,C19H21FNO3+,Fc1ccc(cc1)C1CC[NH2+]CC1COc1ccc2c(c1)OCO2,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/p+1/t14-,17-/m0/s1",-5.6985,-5.6983,-4.4021,-4.3941,-2.0275,-2.0219,1.4642,1.561,1.5659999999999998,1.5733,1.5748,D02362_N06AB05,40260102000000000a800600000205010100003000000800000000800100004010005000c00000010000001800030400010a12000000c800840000020000a00008a02c000100001100100001024080000080015000003048c0080800000820000000002000000042100000020010080000070102080110200802000101000004,0100000050f001,060042010400804000000000000000000000000000080000000000000000000000004600c02204,000000080002012180006e879b55a1e521c3e7751f,1,12,36,0,0,4,45,48,-10.982999999999999,-3.995,2,-1.0,0.0203525,+,187.4531,-,187.4531,https://www.genome.jp/dbget-bin/www_bget?dr:D02362
4578,D02260, Paroxetine hydrochloride hydrate (JP17), Selective serotonin reuptake inhibitors,N06AB05,NERVOUS SYSTEM,[C@@H]1([C@H](COc2cc3c(cc2)OCO3)C[NH2+]CC1)c1ccc(cc1)F,330.37300000000005,3.8695,93.0424,44.3,24,1,3,AHOUBRCZNHFOSL-YOEHRIQHSA-O,C19H21FNO3+,Fc1ccc(cc1)C1CC[NH2+]CC1COc1ccc2c(c1)OCO2,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/p+1/t14-,17-/m0/s1",-5.6991,-5.6979999999999995,-4.4046,-4.3914,-2.0257,-2.023,1.4631,1.561,1.5664,1.5722,1.5763,D02260_N06AB05,40260102000000000a800600000205010100003000000800000000800100004010005000c00000010000001800030400010a12000000c800840000020000a00008a02c000100001100100001024080000080015000003048c0080800000820000000002000000042100000020010080000070102080110200802000101000004,0100000050f001,060042010400804000000000000000000000000000080000000000000000000000004600c02204,000000080002012180006e879b55a1e521c3e7751f,1,12,36,0,0,4,45,48,-10.984000000000002,-3.995,2,,0.020350214,+,187.4531,-,187.4531,https://www.genome.jp/dbget-bin/www_bget?dr:D02260
4579,D05374, Paroxetine hydrochloride (USP), Selective serotonin reuptake inhibitors,N06AB05,NERVOUS SYSTEM,[C@@H]1([C@H](COc2cc3c(cc2)OCO3)C[NH2+]CC1)c1ccc(cc1)F,330.37300000000005,3.8695,93.0424,44.3,24,1,3,AHOUBRCZNHFOSL-YOEHRIQHSA-O,C19H21FNO3+,Fc1ccc(cc1)C1CC[NH2+]CC1COc1ccc2c(c1)OCO2,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/p+1/t14-,17-/m0/s1",-5.6988,-5.6951,-4.4062,-4.3878,-2.0283,-2.0204,1.4574,1.5655,1.5662,1.5728,1.5743,D05374_N06AB05,40260102000000000a800600000205010100003000000800000000800100004010005000c00000010000001800030400010a12000000c800840000020000a00008a02c000100001100100001024080000080015000003048c0080800000820000000002000000042100000020010080000070102080110200802000101000004,0100000050f001,060042010400804000000000000000000000000000080000000000000000000000004600c02204,000000080002012180006e879b55a1e521c3e7751f,1,12,36,0,0,4,45,48,-10.982000000000001,-3.995,2,0.0,0.020360496000000002,+,187.4531,-,187.4531,https://www.genome.jp/dbget-bin/www_bget?dr:D05374
4580,D05375, Paroxetine mesylate (USAN), Selective serotonin reuptake inhibitors,N06AB05,NERVOUS SYSTEM,[C@@H]1([C@H](COc2cc3c(cc2)OCO3)C[NH2+]CC1)c1ccc(cc1)F,330.37300000000005,3.8695,93.0424,44.3,24,1,3,AHOUBRCZNHFOSL-YOEHRIQHSA-O,C19H21FNO3+,Fc1ccc(cc1)C1CC[NH2+]CC1COc1ccc2c(c1)OCO2,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/p+1/t14-,17-/m0/s1",-5.6995,-5.699,-4.4047,-4.396,-2.0249,-2.0247,1.4647,1.5612,1.5656,1.5746,1.5769,D05375_N06AB05,40260102000000000a800600000205010100003000000800000000800100004010005000c00000010000001800030400010a12000000c800840000020000a00008a02c000100001100100001024080000080015000003048c0080800000820000000002000000042100000020010080000070102080110200802000101000004,0100000050f001,060042010400804000000000000000000000000000080000000000000000000000004600c02204,000000080002012180006e879b55a1e521c3e7751f,1,12,36,0,0,4,45,48,-10.982999999999999,-3.995,2,1.0,0.020310856000000002,+,187.4531,-,187.4531,https://www.genome.jp/dbget-bin/www_bget?dr:D05375
4581,D02360, Sertraline (INN), Selective serotonin reuptake inhibitors,N06AB06,NERVOUS SYSTEM,c12[C@H](c3cc(c(cc3)Cl)Cl)CC[C@@H](c1cccc2)[NH2+]C,307.238,4.1534,87.2474,16.61,18,1,0,VGKDLMBJGBXTGI-SJCJKPOMSA-O,C17H18Cl2N+,C[NH2+]C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/p+1/t12-,17-/m0/s1",-5.7199,-5.7076,-5.5803,-4.4125,-0.898,-0.8789,1.5707,1.5903,1.7908,1.835,2.0124,D02360_N06AB06,00060200000004000200860082010002000000d000000400010010a0002000001000540000400000008100180001020001000000002010000000000200020000800000000000008000002000a40800020088014000003008c4080800000810000110000300040004020000000000000000060110020110000000000508800000,0100000000f001,060040010400000000000000000000000000000000040000000000000000000000004200c02204,000000000000012000004812d04d2800308065a817,0,12,28,0,0,2,38,40,-12.058,-4.044,2,,0.032779232,+,0.9579,+,0.9579,https://www.genome.jp/dbget-bin/www_bget?dr:D02360
4582,D00825, Sertraline hydrochloride (JAN/USAN), Selective serotonin reuptake inhibitors,N06AB06,NERVOUS SYSTEM,c12[C@H](c3cc(c(cc3)Cl)Cl)CC[C@@H](c1cccc2)[NH2+]C,307.238,4.1534,87.2474,16.61,18,1,0,VGKDLMBJGBXTGI-SJCJKPOMSA-O,C17H18Cl2N+,C[NH2+]C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/p+1/t12-,17-/m0/s1",-5.7144,-5.7053,-5.586,-4.4098,-0.9197,-0.8803,1.5681,1.585,1.7909,1.8394,2.0148,D00825_N06AB06,00060200000004000200860082010002000000d000000400010010a0002000001000540000400000008100180001020001000000002010000000000200020000800000000000008000002000a40800020088014000003008c4080800000810000110000300040004020000000000000000060110020110000000000508800000,0100000000f001,060040010400000000000000000000000000000000040000000000000000000000004200c02204,000000000000012000004812d04d2800308065a817,0,12,28,0,0,2,38,40,-12.057,-4.043,2,,0.033044487000000004,+,0.9579,+,0.9579,https://www.genome.jp/dbget-bin/www_bget?dr:D00825
4583,D02787, Alaproclate (USAN/INN), Selective serotonin reuptake inhibitors,N06AB07,NERVOUS SYSTEM,[C@H]([NH3+])(C)C(=O)OC(Cc1ccc(cc1)Cl)(C)C,256.748,1.8347,70.5481,53.94,21,1,2,FZSPJBYOKQPKCD-VIFPVBQESA-O,C13H19ClNO2+,CC(C(=O)OC(Cc1ccc(cc1)Cl)(C)C)[NH3+],"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3/p+1/t9-/m0/s1",-5.4008,-5.3627,-5.3624,-4.5688,-4.3729,-3.2282,1.7376,1.7427,1.7466,1.7823,2.5568,D02787_N06AB07,00040200000000000200060000020000000000000000040000000080002400101000400000000003000b000820010100010000000000000400000002000002080800080000100400000000002480000200b800400000100840080800000800004000000000000000000000004000000000060180000100000000000040800000,0500000030f005,0300c0000400000000009000000000000000000000040000000000000000000000000200c02a04,000000000000010002024040408404242810d0fe1f,0,6,29,1,0,5,36,36,-11.905,-4.668,1,0.0,0.00018299900000000001,-,0.6175,-,0.6175,https://www.genome.jp/dbget-bin/www_bget?dr:D02787
4584,D07984, Fluvoxamine (INN), Selective serotonin reuptake inhibitors,N06AB08,NERVOUS SYSTEM,c1(ccc(cc1)/C(=N\OCC[NH3+])/CCCCOC)C(F)(F)F,319.343,2.4847,79.8791,58.46,25,1,3,CJOFXWAVKWHTFT-XSFVSMFZSA-O,C15H22F3N2O2+,COCCCCC(=NOCC[NH3+])c1ccc(cc1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/p+1/b20-14+",-5.4032,-5.3971,-5.3059,-4.1897,-4.1885,-4.1873,1.6192,1.6682,1.7207,1.7679,1.788,D07984_N06AB08,0006000000001840020006000a02000000000092000100480400008000000000100040000000000300800008000100000104800000644080000000020000800018000900000000000000a001000800000188004000001109510808004889100000200000400400100000001000000800000f0500020190000000000100000000,0120000030f001,0281c0000400400000000000000000000000000000000000000000000000000000000240e02a01,000080000002010040a02270a8de6ca8292244fd1f,3,6,37,1,0,10,44,44,-12.434000000000001,-4.272,0,1.0,0.001146107,-,0.7866,-,0.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D07984
4585,D00824, Fluvoxamine maleate (JP17/USAN), Selective serotonin reuptake inhibitors,N06AB08,NERVOUS SYSTEM,c1(ccc(cc1)/C(=N\OCC[NH3+])/CCCCOC)C(F)(F)F,319.343,2.4847,79.8791,58.46,25,1,3,CJOFXWAVKWHTFT-XSFVSMFZSA-O,C15H22F3N2O2+,COCCCCC(=NOCC[NH3+])c1ccc(cc1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/p+1/b20-14+",-5.3855,-5.3619,-5.3529,-4.1903,-4.1886,-4.1852,1.5684,1.6391,1.746,1.749,1.7719,D00824_N06AB08,0006000000001840020006000a02000000000092000100480400008000000000100040000000000300800008000100000104800000644080000000020000800018000900000000000000a001000800000188004000001109510808004889100000200000400400100000001000000800000f0500020190000000000100000000,0120000030f001,0281c0000400400000000000000000000000000000000000000000000000000000000240e02a01,000080000002010040a02270a8de6ca8292244fd1f,3,6,37,1,0,10,44,44,-12.434000000000001,-4.27,0,,0.001146386,-,0.7866,-,0.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D00824
4586,D04105, Etoperidone hydrochloride (USAN), Selective serotonin reuptake inhibitors,N06AB09,NERVOUS SYSTEM,c1c(cc(cc1)Cl)N1CC[NH+](CC1)CCCn1c(=O)n(c([nH]1)CC)CC,379.92699999999996,2.9241,115.921,50.4,32,2,4,YXDDALAVZZNWEI-UHFFFAOYSA-O,C19H30ClN5O+,CCn1c(CC)[nH]n(c1=O)CCC[NH+]1CCN(CC1)c1cccc(c1)Cl,"InChI=1S/C19H29ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15,21H,3-4,6,9-14H2,1-2H3/p+1",-6.05,-4.7449,-4.6493,-4.5598,-4.5219,-4.4937,1.7653,2.2932,2.3219,2.4255,2.6224,D04105_N06AB09,008306000100100013008e0000800009800000000000000000001000002021001a0000022140006000050b3800011040035200004000000c000000000000040008000000400200200120600006900002008a00400c003002600b00800000000202200000040000080000000000004000000e000520001000001400010ec00000,0100000000f061,030040020500000003000000000000000040000400040000000000000000000000000600c02204,000000003000092010d476e6cb6eb2cb75637daf1f,0,6,52,1,0,7,57,59,-13.562000000000001,-8.187999999999999,0,-10.0,3.38925e-06,+,1.0915,-,1.0915,https://www.genome.jp/dbget-bin/www_bget?dr:D04105
4587,D07913, Escitalopram (INN), Selective serotonin reuptake inhibitors,N06AB10,NERVOUS SYSTEM,c1c(cc2c(c1)[C@@](OC2)(c1ccc(cc1)F)CCC[NH+](C)C)C#N,325.4,2.39588,92.5767,37.46,24,1,2,WSEQXVZVJXJVFP-FQEVSTJZSA-O,C20H22FN2O+,N#Cc1ccc2c(c1)COC2(CCC[NH+](C)C)c1ccc(cc1)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m0/s1",-6.0377,-4.6143,-4.6037,-4.5466,-3.366,-3.12,1.4583,1.4702,1.5694,1.5848,1.5898,D07913_N06AB10,000e00020400004002840600800200020100005000020800012200a00004000010005000004400012000001820050000010010400000e0008002000200004000081008022000000000102100000000000088814000003008c0088800000910000000000500040000104000083100100000074502020110000000000100000000,0100000030f011,028040020400000000000000000000001000000000080000000000000000000000004680c02204,00000000000301210202769298dd2c8229a3ddb51f,1,12,35,0,1,5,46,48,-12.197000000000001,-4.107,1,1.0,0.038887389,-,0.7184,-,0.7184,https://www.genome.jp/dbget-bin/www_bget?dr:D07913
4588,D02567, Escitalopram oxalate (JAN/USAN), Selective serotonin reuptake inhibitors,N06AB10,NERVOUS SYSTEM,c1c(cc2c(c1)[C@@](OC2)(c1ccc(cc1)F)CCC[NH+](C)C)C#N,325.4,2.39588,92.5767,37.46,24,1,2,WSEQXVZVJXJVFP-FQEVSTJZSA-O,C20H22FN2O+,N#Cc1ccc2c(c1)COC2(CCC[NH+](C)C)c1ccc(cc1)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m0/s1",-6.0385,-4.6289,-4.6043,-4.5915,-3.3393,-3.1237,1.4595,1.4693,1.5799,1.5805,1.5909,D02567_N06AB10,000e00020400004002840600800200020100005000020800012200a00004000010005000004400012000001820050000010010400000e0008002000200004000081008022000000000102100000000000088814000003008c0088800000910000000000500040000104000083100100000074502020110000000000100000000,0100000030f011,028040020400000000000000000000001000000000080000000000000000000000004680c02204,00000000000301210202769298dd2c8229a3ddb51f,1,12,35,0,1,5,46,48,-12.195,-4.125,1,,0.043954140999999995,-,0.7184,-,0.7184,https://www.genome.jp/dbget-bin/www_bget?dr:D02567
4589,D02580, Isocarboxazid (INN)," Monoamine oxidase inhibitors, non-selective",N06AF01,NERVOUS SYSTEM,c1ccc(cc1)C[NH2+]NC(=O)c1noc(c1)C,232.25799999999998,0.7823,63.0116,71.74,17,2,4,XKFPYPQQHFEXRZ-UHFFFAOYSA-O,C12H14N3O2+,Cc1onc(c1)C(=O)N[NH2+]Cc1ccccc1,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)/p+1",-4.7865,-4.0868,-4.0478,-4.0472,-2.7746,-1.7433,1.8121,1.9165,1.9416,1.9769999999999999,1.9885,D02580_N06AF01,a00004400000048003004e02040000000110400820008008020000800000000084004860000280400886000800208000000010090000000600040202000200020e00040800000070401020004088000000800040000011004808004000010200001000200000000000001000000400000016012200011a000000400804200000,0500000000f001,01000000000000000000800000000000000100000000b000000000000000000000000640c03a00,000000000000090159c00ee9a96090090621c0ef1f,0,11,20,1,0,5,31,32,-13.367,-5.041,0,,0.00011310899999999999,+,0.4275,-,0.4275,https://www.genome.jp/dbget-bin/www_bget?dr:D02580
4590,D07337, Nialamide (INN)," Monoamine oxidase inhibitors, non-selective",N06AF02,NERVOUS SYSTEM,c1nccc(c1)C(=O)N[NH2+]CCC(=O)NCc1ccccc1,299.348,0.7781,83.2023,87.7,24,3,5,NOIIUHRQUVNIDD-UHFFFAOYSA-O,C16H19N4O2+,O=C(NCc1ccccc1)CC[NH2+]NC(=O)c1ccncc1,"InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)/p+1",-4.4275,-4.0507,-4.0159,-3.8501,-3.7843,-3.6408,1.5929,1.6632,1.7376,2.0340000000000003,2.0494,D07337_N06AF02,a0020400000005a013004e00000100010000008000000000000000c0004000001c0040000040806000860018000000c00102000020002004000000020800000004000400000400200000200002880088009000600c0030004809000000000002041000020000000000000000000004000006010000411000001c800906000000,0500000000f001,0200000000000000000080000a0000000001000000009000000000000000000000000640c02a00,000000000000190019800a6a8b6030898d23456f1f,0,12,28,2,0,9,41,42,-11.999,-5.205,0,1.0,0.000634435,-,0.6723,-,0.6723,https://www.genome.jp/dbget-bin/www_bget?dr:D07337
4591,D08349, Phenelzine (BAN)," Monoamine oxidase inhibitors, non-selective",N06AF03,NERVOUS SYSTEM,c1(ccccc1)CC[NH2+][NH3+],138.21,-1.0506,44.2395,44.25,14,2,0,JDQPCYSOCDRLHP-UHFFFAOYSA-N,C8H14N2++,[NH3+][NH2+]CCc1ccccc1,"InChI=1S/C8H14N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,9H3/q+2",-2.5095,-2.5027,-2.1821,-2.1815,-2.1808,-1.9166,1.5413,1.5588,1.7354,1.7623,1.7702,D08349_N06AF03,000400000000000002000e000000000400000000008000000000008000000000100040810000004000000018000000000000000000000000000000020000000000000000000000000000000000000000008000400800000840080800000000000000000000800000000000000000000000060100000100000000000004000000,0100000000f001,020000000000000000000000000000000000000000000000000000000000000000000200c02200,000000000000090018000a22884020080420442517,0,6,18,0,0,3,24,24,-15.543,-11.894,0,0.0,6.08173e-17,+,0.3509,-,0.3509,https://www.genome.jp/dbget-bin/www_bget?dr:D08349
4592,D00505, Phenelzine sulfate (USP)," Monoamine oxidase inhibitors, non-selective",N06AF03,NERVOUS SYSTEM,c1(ccccc1)CC[NH2+][NH3+],138.21,-1.0506,44.2395,44.25,14,2,0,JDQPCYSOCDRLHP-UHFFFAOYSA-N,C8H14N2++,[NH3+][NH2+]CCc1ccccc1,"InChI=1S/C8H14N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,9H3/q+2",-2.5069,-2.506,-2.1831,-2.1816,-2.1798,-1.9141,1.5391,1.5568,1.7327,1.7637,1.7734,D00505_N06AF03,000400000000000002000e000000000400000000008000000000008000000000100040810000004000000018000000000000000000000000000000020000000000000000000000000000000000000000008000400800000840080800000000000000000000800000000000000000000000060100000100000000000004000000,0100000000f001,020000000000000000000000000000000000000000000000000000000000000000000200c02200,000000000000090018000a22884020080420442517,0,6,18,0,0,3,24,24,-15.542,-11.895999999999999,0,,6.07373e-17,+,0.3509,-,0.3509,https://www.genome.jp/dbget-bin/www_bget?dr:D00505
4593,D08625, Tranylcypromine (INN)," Monoamine oxidase inhibitors, non-selective",N06AF04,NERVOUS SYSTEM,[C@H]1(c2ccccc2)[C@@H](C1)[NH3+],134.19799999999998,0.7844,42.8731,27.64,12,1,0,AELCINSCMGFISI-DTWKUNHWSA-O,C9H12N+,[NH3+]C1CC1c1ccccc1,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m0/s1",-4.703,-4.6994,-4.6987,-2.1684,-0.5704,-0.4934,0.9206,0.9279999999999999,0.9282,1.7542,1.7552,D08625_N06AF04,00040000000000000a00060000000004000000000000000000000080000000001000408100000000000000180001000001000000000000000000000200000000000000000000000000000001000000000080004000001008c0080800000800000000000000000000000000000000000000060100000100000002000000000000,0100000000f001,0600c0000400000000000000000000000000000000000000000000000000000000000200c02204,000020000000012000000002804000001000602817,0,6,17,0,0,1,22,23,-13.082,-4.224,2,-1.0,2.34252e-06,+,1.1658,-,1.1658,https://www.genome.jp/dbget-bin/www_bget?dr:D08625
4594,D00826, Tranylcypromine sulfate (USP XXI)," Monoamine oxidase inhibitors, non-selective",N06AF04,NERVOUS SYSTEM,[C@H]1(c2ccccc2)[C@@H](C1)[NH3+],134.19799999999998,0.7844,42.8731,27.64,12,1,0,AELCINSCMGFISI-DTWKUNHWSA-O,C9H12N+,[NH3+]C1CC1c1ccccc1,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m0/s1",-4.703,-4.6994,-4.6987,-2.1684,-0.5704,-0.4934,0.9206,0.9279999999999999,0.9282,1.7542,1.7552,D00826_N06AF04,00040000000000000a00060000000004000000000000000000000080000000001000408100000000000000180001000001000000000000000000000200000000000000000000000000000001000000000080004000001008c0080800000800000000000000000000000000000000000000060100000100000002000000000000,0100000000f001,0600c0000400000000000000000000000000000000000000000000000000000000000200c02204,000020000000012000000002804000001000602817,0,6,17,0,0,1,22,23,-13.08,-4.223,2,,2.34014e-06,+,1.1658,-,1.1658,https://www.genome.jp/dbget-bin/www_bget?dr:D00826
4595,D02579, Iproniazid (INN)," Monoamine oxidase inhibitors, non-selective",N06AF05,NERVOUS SYSTEM,c1(C(=O)N[NH2+]C(C)C)ccncc1,180.227,0.0891,50.9066,58.6,17,2,3,NYMGNSNKLVNMIA-UHFFFAOYSA-O,C9H14N3O+,CC([NH2+]NC(=O)c1ccncc1)C,"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)/p+1",-4.0805,-4.0357,-3.6557,-3.1246,-2.1365,-1.771,1.3637,1.5034,1.5279,1.5374,1.7518,D02579_N06AF05,a00004000000018002004e000000000000000000000000000000000000400000140000000000806000860008000000400000000000002004000000020800000004000400000000200000200000880080008000400400100048000000000000000410000000000000000000000000040000060000004100000018000806000000,0500000000f001,010000000000000000008000000000000001000000009000000000000000000000000640c02a00,00000000000009001902086802201009042150aa1f,0,6,20,1,0,4,27,27,-13.423,-5.117,0,,7.76972e-06,-,0.2139,-,0.2139,https://www.genome.jp/dbget-bin/www_bget?dr:D02579
4596,D08085, Iproniazid phosphate," Monoamine oxidase inhibitors, non-selective",N06AF05,NERVOUS SYSTEM,c1(C(=O)N[NH2+]C(C)C)ccncc1,180.227,0.0891,50.9066,58.6,17,2,3,NYMGNSNKLVNMIA-UHFFFAOYSA-O,C9H14N3O+,CC([NH2+]NC(=O)c1ccncc1)C,"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)/p+1",-4.0828,-4.0415,-3.6449,-3.1192,-2.1333,-1.679,1.3653,1.4658,1.5269,1.5611,1.7413,D08085_N06AF05,a00004000000018002004e000000000000000000000000000000000000400000140000000000806000860008000000400000000000002004000000020800000004000400000000200000200000880080008000400400100048000000000000000410000000000000000000000000040000060000004100000018000806000000,0500000000f001,010000000000000000008000000000000001000000009000000000000000000000000640c02a00,00000000000009001902086802201009042150aa1f,0,6,20,1,0,4,27,27,-13.423,-5.117,0,1.0,7.76238e-06,-,0.2139,-,0.2139,https://www.genome.jp/dbget-bin/www_bget?dr:D08085
4597,D07338, Iproclozide (INN)," Monoamine oxidase inhibitors, non-selective",N06AF06,NERVOUS SYSTEM,c1c(ccc(c1)OCC(=O)N[NH2+]C(C)C)Cl,243.71,1.1127,64.2331,54.94,19,2,3,GGECDTUJZOXAAR-UHFFFAOYSA-O,C11H16ClN2O2+,CC([NH2+]NC(=O)COc1ccc(cc1)Cl)C,"InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)/p+1",-4.0837,-4.0446,-3.8151,-3.1176,-2.2227,-1.6578,1.5230000000000001,1.5269,1.5619,1.7429,1.8256,D07338_N06AF06,000006000000000002000e00000200000000000008001010000000001022000010000000000000420007040800000000000002000000000400040080000000000800080001100221000020000680800200c800400000140040080000000000000000000000000002000000000011000002060000082000200800000004800004,0500000050f001,010002000000000000008000000000000000000000040000000000000000000000000200c02a00,00000000000009009802486ac17411682c60d0ff1f,0,6,25,1,0,6,32,32,-11.638,-5.255,0,-1.0,0.000149951,-,0.2199,-,0.2199,https://www.genome.jp/dbget-bin/www_bget?dr:D07338
4598,D02561, Moclobemide (USAN/INN), Monoamine oxidase A inhibitors,N06AG02,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)NCC[NH+]1CCOCC1)Cl,269.747,1.945,75.2279,42.77,21,2,3,YHXISWVBGDMDLQ-UHFFFAOYSA-O,C13H18ClN2O2+,O=C(c1ccc(cc1)Cl)NCC[NH+]1CCOCC1,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)/p+1",-5.9431,-4.593999999999999,-4.5827,-4.5733,-4.1431,-3.8418,1.5713,1.5866,2.6351,2.6702,3.1039999999999996,D02561_N06AG02,000202000000048001000600000300080100008000000400000000c0002400000c0040020000001200870228000000000000000000000000000000020000001008010800081410000020000046880002008800400000200040080900000000000810000200000000000000008000000000060184000100000028000000800000,0500000030f001,0080400204000000000080000a0000000001000000040000000000000000000000000640c02a00,00000000000021010044724cca74b0832d234d7f1f,0,6,30,1,0,5,36,37,-12.264000000000001,-4.49,0,,0.002879907,-,0.3261,-,0.3261,https://www.genome.jp/dbget-bin/www_bget?dr:D02561
4599,D02559, Toloxatone (INN), Monoamine oxidase A inhibitors,N06AG03,NERVOUS SYSTEM,c1cc(cc(c1)N1C[C@@H](OC1=O)CO)C,207.226,1.3775,58.8858,49.77,17,1,4,MXUNKHLAEDCYJL-SNVBAGLBSA-N,C11H13NO3,OCC1OC(=O)N(C1)c1cccc(c1)C,"InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3/t10-/m1/s1",-5.2381,-3.8675,-3.5198,-2.4177,-1.9259,-1.44,1.4503,1.4661,1.476,1.5664,1.6253,D02559_N06AG03,00020000000000800100068000824000c00000000000001802000080000004001800400882200037100d10180000104000004000000880080000800200800600080018004010020000001000008000000080014004002c0050080000040200000000000000000000008000008040002400060100001710400150400002400000,0000001c30b001,011800000000000000000000000000000040000100000000000000000000000000000600402004,0000400000000021800416c2093290475847aaff1f,0,6,22,1,0,2,28,29,-9.396,0.313,1,-3.0,0.014060996000000001,-,0.3415,-,0.3415,https://www.genome.jp/dbget-bin/www_bget?dr:D02559
4600,D07339, Oxitriptan (INN), Other antidepressants,N06AX01,NERVOUS SYSTEM,c1c(cc2c(c1)[nH]cc2C[C@H]([NH3+])C(=O)O)O,221.233,0.1111,60.6386,100.96,15,4,3,LDCYZAJDBXYCGN-VIFPVBQESA-O,C11H13N2O3+,OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)[NH3+],"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/p+1/t9-/m0/s1",-5.3784,-5.3651,-5.3631,-4.5992,-4.5648,-4.402,1.7838,2.1471,2.3442,2.3642,2.6265,D07339_N06AX01,20040000000204000200060000000004000000000000120800000080013804001000408140008023088a001800010040010002000804600000000002000000000c000c0040000000000840000688001c00b000400400100840080900000840000000000000200006000000000010040010068141000100200808000002000000,0500000c02f003,0200c0000400000000008800000000100000000000018400000000000000000000004600c02a04,0000000000002100010004c6904101450465c27e1f,0,10,19,1,0,3,29,30,-8.807,-0.395,1,0.0,7.042909999999999e-05,-,0.7763,-,0.7763,https://www.genome.jp/dbget-bin/www_bget?dr:D07339
4601,D00020, Tryptophan (USP/INN), Other antidepressants,N06AX02,NERVOUS SYSTEM,c12c(C[C@H]([NH3+])C(=O)O)c[nH]c1cccc2,205.233,0.4055,58.6156,80.73,14,3,2,QIVBCDIJIAJPQS-VIFPVBQESA-O,C11H13N2O2+,OC(=O)C(Cc1c[nH]c2c1cccc2)[NH3+],"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1/t9-/m0/s1",-5.3748,-5.3662,-5.3658,-4.5989,-4.5612,-4.4013,1.7855,2.1606,2.3467,2.3636,2.6183,D00020_N06AX02,20040000000204000200060000000004000000000000000800000080013804001000408140008023088a001800010040010000000804600000000002000000000c000c0040000000000840000088001c00b000400400100840080900000840000000000000200000000000000010040010068141000100000008000002000000,0500000c00f003,0200c0000400000000008800000000100000000000008400000000000000000000004600c02a04,0000000000002100010004c6904100050425407e1f,0,10,18,1,0,3,28,29,-8.831,-0.297,1,-1.0,9.30619e-05,+,0.7726,-,0.7726,https://www.genome.jp/dbget-bin/www_bget?dr:D00020
4602,D08216, Mianserin (INN), Other antidepressants,N06AX03,NERVOUS SYSTEM,c12N3[C@@H](c4c(Cc1cccc2)cccc4)C[N@@H+](CC3)C,265.373,3.301,91.1627,7.68,22,1,1,UEQUQVLFIPOEMF-GOSISDBHSA-O,C18H21N2+,C[NH+]1CCN2C(C1)c1ccccc1Cc1c2cccc1,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/p+1/t18-/m1/s1",-6.0432,-4.6366,-4.5347,-4.501,-4.1237,-2.9909,1.5817,1.5884,1.6026,1.7184,2.3791,D08216_N06AX03,0006012020000600020006008081080e801000c000400000000000e00000000012004483214001200080203800001240000200000000100801000002008224008000000040040200002020008208000000c0804004002008400a090080000000011000030004000040000800200000000006011420011000000000000a400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000004600c00204,0000040000000100004432149a41ac8341a34da917,0,12,32,0,0,0,41,44,-11.705,-3.9589999999999996,2,-1.0,0.016027371999999998,+,0.8237,-,0.8237,https://www.genome.jp/dbget-bin/www_bget?dr:D08216
4603,D01358, Mianserin hydrochloride (JAN/USAN), Other antidepressants,N06AX03,NERVOUS SYSTEM,c12N3[C@H](c4c(Cc1cccc2)cccc4)C[N@@H+](CC3)C,265.373,3.301,91.1627,7.68,22,1,1,UEQUQVLFIPOEMF-SFHVURJKSA-O,C18H21N2+,C[NH+]1CCN2C(C1)c1ccccc1Cc1c2cccc1,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/p+1/t18-/m0/s1",-6.0454,-4.6176,-4.5455,-4.5032,-4.1041,-2.9919,1.5629,1.5724,1.5764,1.719,2.3809,D01358_N06AX03,0006012020000600020006008081080e801000c000400000000000e00000000012004483214001200080203800001240000200000000100801000002008224008000000040040200002020008208000000c0804004002008400a090080000000011000030004000040000800200000000006011420011000000000000a400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000004600c00204,0000040000000100004432149a41ac8341a34da917,0,12,32,0,0,0,41,44,-11.607000000000001,-3.966,2,0.0,0.011407983,+,0.8237,-,0.8237,https://www.genome.jp/dbget-bin/www_bget?dr:D01358
4604,D05200, Nomifensine maleate (USAN), Other antidepressants,N06AX04,NERVOUS SYSTEM,c1ccc2c(c1N)C[N@H+](C[C@@H]2c1ccccc1)C,239.335,3.5794,80.5391,30.46,20,2,1,XXPANQJNYNUNES-CQSZACIVSA-O,C16H19N2+,C[NH+]1CC(c2ccccc2)c2c(C1)c(N)ccc2,"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/p+1/t14-/m1/s1",-6.0524,-5.9128,-5.1046,-5.0762,-4.6257,-4.6062,1.5855,1.5972,1.8651,1.8977,2.0449,D05200_N06AX04,00060040000004200200060080014006000000c000000000000000e00000040010004081004000200080201800000240000200000000000022000002000200008000000040040200001020008208000000800040040020084008080080004000001000030004000000001000200000000006011000011000000000000a000008,0100000000f021,0400400a0400000000000000000000000000000000000000000000000000000000004600c02204,000000000000112000843a121a01048354a349a917,0,12,27,0,0,1,37,39,-11.895999999999999,-3.815,2,3.0,0.004329199000000001,+,0.5952,+,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D05200
4605,D08626, Trazodone (INN), Other antidepressants,N06AX05,NERVOUS SYSTEM,n12c([nH]n(c1=O)CCC[NH+]1CCN(CC1)c1cc(ccc1)Cl)cccc2,373.88,2.793,113.044,49.88,26,2,4,LMRFIVMMKKRLER-UHFFFAOYSA-O,C19H24ClN5O+,Clc1cccc(c1)N1CC[NH+](CC1)CCCn1[nH]c2n(c1=O)cccc2,"InChI=1S/C19H23ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15,21H,4,8,10-14H2/p+1",-6.0452,-4.7459,-4.6304,-4.5838,-4.5294,-4.5273,1.74,2.2562,2.3167,2.4602,2.6593,D08626_N06AX05,088306000100180013008e0000800009800000100000000000001000002021001a0010022140006020050f38000110c0035200004000000c000000000000040008000000c00200200120600006900002008a01500c003002e00b00800000000202200000040000080000000000004000000e000520001000001400010ec00000,0100000000f061,020040020500000003000000000000000040000400040000000000000000000000004600c02204,000000003000092010d476e6db67b0cb75636d2f1f,0,6,51,1,0,5,55,58,-13.356,-7.757999999999999,0,0.0,2.73244e-06,+,1.5848,-,1.5848,https://www.genome.jp/dbget-bin/www_bget?dr:D08626
4606,D00820, Trazodone hydrochloride (JAN/USP), Other antidepressants,N06AX05,NERVOUS SYSTEM,n12c([nH]n(c1=O)CCC[NH+]1CCN(CC1)c1cc(ccc1)Cl)cccc2,373.88,2.793,113.044,49.88,26,2,4,LMRFIVMMKKRLER-UHFFFAOYSA-O,C19H24ClN5O+,Clc1cccc(c1)N1CC[NH+](CC1)CCCn1[nH]c2n(c1=O)cccc2,"InChI=1S/C19H23ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15,21H,4,8,10-14H2/p+1",-6.0644,-4.7801,-4.6731,-4.5539,-4.4978,-4.4919,2.106,2.253,2.3476,2.4552,2.6541,D00820_N06AX05,088306000100180013008e0000800009800000100000000000001000002021001a0010022140006020050f38000110c0035200004000000c000000000000040008000000c00200200120600006900002008a01500c003002e00b00800000000202200000040000080000000000004000000e000520001000001400010ec00000,0100000000f061,020040020500000003000000000000000040000400040000000000000000000000004600c02204,000000003000092010d476e6db67b0cb75636d2f1f,0,6,51,1,0,5,55,58,-13.355,-7.756,0,4.0,2.73232e-06,+,1.5848,-,1.5848,https://www.genome.jp/dbget-bin/www_bget?dr:D00820
4607,D08257, Nefazodone (INN), Other antidepressants,N06AX06,NERVOUS SYSTEM,n1(c([nH]n(c1=O)CCC[NH+]1CCN(CC1)c1cc(ccc1)Cl)CC)CCOc1ccccc1,472.023,3.9832,141.934,59.63,37,2,5,WARSUMBONOUBTM-UHFFFAOYSA-O,C25H34ClN5O2+,CCc1[nH]n(c(=O)n1CCOc1ccccc1)CCC[NH+]1CCN(CC1)c1cccc(c1)Cl,"InChI=1S/C25H33ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20,27H,2,7,12-19H2,1H3/p+1",-6.0333,-4.7528,-4.5972,-4.5816,-4.5334,-4.507,1.7387,2.2664,2.31,2.4331,2.6441,D08257_N06AX06,008306000100100013008e0000820009810000000000800000001000002021001a0000022140007200050f3800011040035202004000000c000000000000043008000800411208210120600006908002008a00400c003002600b008000000002022000000400000a0000000080104000020e200528001020085400013ee00004,0100000050f061,030042020500000003000000000000000040000400040000000000000000000000000600c02204,000000003000092010d476e6cb7eb3eb7d63edff1f,0,12,58,1,0,10,68,71,-12.978,-8.18,0,0.0,0.000754827,+,2.0909,-,2.0909,https://www.genome.jp/dbget-bin/www_bget?dr:D08257
4608,D00819, Nefazodone hydrochloride (USAN), Other antidepressants,N06AX06,NERVOUS SYSTEM,n1(c([nH]n(c1=O)CCC[NH+]1CCN(CC1)c1cc(ccc1)Cl)CC)CCOc1ccccc1,472.023,3.9832,141.934,59.63,37,2,5,WARSUMBONOUBTM-UHFFFAOYSA-O,C25H34ClN5O2+,CCc1[nH]n(c(=O)n1CCOc1ccccc1)CCC[NH+]1CCN(CC1)c1cccc(c1)Cl,"InChI=1S/C25H33ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20,27H,2,7,12-19H2,1H3/p+1",-5.9861,-4.7427,-4.6072,-4.5889,-4.5623,-4.5418,2.2724,2.2867,2.4213,2.4248,2.6406,D00819_N06AX06,008306000100100013008e0000820009810000000000800000001000002021001a0000022140007200050f3800011040035202004000000c000000000000043008000800411208210120600006908002008a00400c003002600b008000000002022000000400000a0000000080104000020e200528001020085400013ee00004,0100000050f061,030042020500000003000000000000000040000400040000000000000000000000000600c02204,000000003000092010d476e6cb7eb3eb7d63edff1f,0,12,58,1,0,10,68,71,-12.972999999999999,-8.183,0,,0.000754621,+,2.0909,-,2.0909,https://www.genome.jp/dbget-bin/www_bget?dr:D00819
4609,D05039, Minaprine (USAN/INN), Other antidepressants,N06AX07,NERVOUS SYSTEM,c1(cc(c(nn1)NCC[NH+]1CCOCC1)C)c1ccccc1,299.39099999999996,2.4212,92.5194,51.48,27,2,4,LDMWSLGGVTVJPG-UHFFFAOYSA-O,C17H23N4O+,Cc1cc(nnc1NCC[NH+]1CCOCC1)c1ccccc1,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)/p+1",-6.0179,-4.8801,-4.5665,-4.5515,-4.5465,-3.5951,1.5599,1.5865,1.6216,1.7274,2.6747,D05039_N06AX07,20020010000a0000000006001c420008e110000000001230000000800004120002c04002000880320000022c00001000060622000000200c0c100002000026100c611c000818130000a00008020000000080006004002000400a001000000000000000000000c000420000008400080110060184a00100a00908004003600000,0100000030f021,018040020400000000000000000000010000000000009000000000000000000000000600c03a00,0000000020002921015432648a58a08b5da36dbd1f,0,12,35,0,0,5,45,47,-11.128,-4.329,0,0.0,0.016689742,+,0.6940000000000001,-,0.6940000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D05039
4610,D05040, Minaprine hydrochloride (USAN), Other antidepressants,N06AX07,NERVOUS SYSTEM,c1(cc(c(nn1)NCC[NH+]1CCOCC1)C)c1ccccc1,299.39099999999996,2.4212,92.5194,51.48,27,2,4,LDMWSLGGVTVJPG-UHFFFAOYSA-O,C17H23N4O+,Cc1cc(nnc1NCC[NH+]1CCOCC1)c1ccccc1,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)/p+1",-6.0164,-4.8948,-4.5598,-4.5476,-4.5374,-3.6124,1.5593,1.5852,1.6108,1.733,2.6717,D05040_N06AX07,20020010000a0000000006001c420008e110000000001230000000800004120002c04002000880320000022c00001000060622000000200c0c100002000026100c611c000818130000a00008020000000080006004002000400a001000000000000000000000c000420000008400080110060184a00100a00908004003600000,0100000030f021,018040020400000000000000000000010000000000009000000000000000000000000600c03a00,0000000020002921015432648a58a08b5da36dbd1f,0,12,35,0,0,5,45,47,-11.127,-4.332,0,0.0,0.016690925,+,0.6940000000000001,-,0.6940000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D05040
4611,D07528, Bifemelane (INN), Other antidepressants,N06AX08,NERVOUS SYSTEM,c1cccc(c1)Cc1ccccc1OCCCC[NH2+]C,270.389,2.6296,85.6744,25.84,25,1,1,QSQQPMHPCBLLGX-UHFFFAOYSA-O,C18H24NO+,C[NH2+]CCCCOc1ccccc1Cc1ccccc1,"InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3/p+1",-5.7127,-5.6929,-4.4256,-4.4021,-1.0168,-0.9283,1.459,1.5683,1.5715,1.5858,1.5896,D07528_N06AX08,000e00000000000202000600800300000000005000020000000000e0000000001000400200000001000000180000000001000200000040000080002200000000082008000100001100000000020080000080004000002008c0080800000000000002000100000002000000820010100000070100080110200800000000000004,0100000050f001,020042010400000000000000000000000000000000000000000000000000000000000200c02200,000000000000010000002a1688582de009c2e5b51f,0,12,33,0,0,8,44,45,-11.097000000000001,-4.324,0,0.0,0.011412183000000001,+,0.4087,-,0.4087,https://www.genome.jp/dbget-bin/www_bget?dr:D07528
4612,D01793, Bifemelane hydrochloride (JAN), Other antidepressants,N06AX08,NERVOUS SYSTEM,c1cccc(c1)Cc1ccccc1OCCCC[NH2+]C,270.389,2.6296,85.6744,25.84,25,1,1,QSQQPMHPCBLLGX-UHFFFAOYSA-O,C18H24NO+,C[NH2+]CCCCOc1ccccc1Cc1ccccc1,"InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3/p+1",-5.6976,-5.6974,-4.4121,-4.3892,-1.0248,-0.9709,1.4342,1.5644,1.5683,1.5824,1.5921,D01793_N06AX08,000e00000000000202000600800300000000005000020000000000e0000000001000400200000001000000180000000001000200000040000080002200000000082008000100001100000000020080000080004000002008c0080800000000000002000100000002000000820010100000070100080110200800000000000004,0100000050f001,020042010400000000000000000000000000000000000000000000000000000000000200c02200,000000000000010000002a1688582de009c2e5b51f,0,12,33,0,0,8,44,45,-11.083,-4.33,0,,0.011394584,+,0.4094,-,0.4094,https://www.genome.jp/dbget-bin/www_bget?dr:D01793
4613,D08673, Viloxazine (INN), Other antidepressants,N06AX09,NERVOUS SYSTEM,c1ccc(c(c1)OC[C@H]1OCC[NH2+]C1)OCC,238.303,1.9955,70.1114,44.3,23,1,3,YWPHCCPCQOJSGZ-NSHDSACASA-O,C13H20NO3+,CCOc1ccccc1OCC1C[NH2+]CCO1,"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/p+1/t11-/m0/s1",-5.709,-5.7061,-4.3631,-4.3437,-1.6598,-1.6540000000000001,1.5562,1.5575,1.5611,1.5615,1.7702,D08673_N06AX09,4003000000000000080006000002000020008000000000000000000001040000100000088000001700000018000000000002020002008000000000000000201008a10902091028010000000002408000008000400000200040080000002000004000000000000002000000028010000000062180080110200800000000000004,0100000070f001,018042010400000000000000000000000000000000000000000000000000000000000600c02204,000000000000010180002a468b50a3e109c3e7f51f,0,6,32,0,0,5,37,38,-11.161,-4.465,1,-2.0,0.000162204,+,0.4433,-,0.4433,https://www.genome.jp/dbget-bin/www_bget?dr:D08673
4614,D02572, Viloxazine hydrochloride (USAN), Other antidepressants,N06AX09,NERVOUS SYSTEM,c1ccc(c(c1)OC[C@H]1OCC[NH2+]C1)OCC,238.303,1.9955,70.1114,44.3,23,1,3,YWPHCCPCQOJSGZ-NSHDSACASA-O,C13H20NO3+,CCOc1ccccc1OCC1C[NH2+]CCO1,"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/p+1/t11-/m0/s1",-5.7083,-5.7064,-4.359,-4.3413,-1.6608,-1.6599,1.5577,1.5584,1.5594,1.5599,1.7694,D02572_N06AX09,4003000000000000080006000002000020008000000000000000000001040000100000088000001700000018000000000002020002008000000000000000201008a10902091028010000000002408000008000400000200040080000002000004000000000000002000000028010000000062180080110200800000000000004,0100000070f001,018042010400000000000000000000000000000000000000000000000000000000000600c02204,000000000000010180002a468b50a3e109c3e7f51f,0,6,32,0,0,5,37,38,-11.159,-4.467,1,-2.0,0.000162069,+,0.4433,-,0.4433,https://www.genome.jp/dbget-bin/www_bget?dr:D02572
4615,D07340, Oxaflozane (INN), Other antidepressants,N06AX10,NERVOUS SYSTEM,c1(cccc(c1)[C@H]1C[N@@H+](CCO1)C(C)C)C(F)(F)F,274.302,3.6392,71.9967,13.67,20,1,1,FVYUQFQCEOZYHZ-CYBMUJFWSA-O,C14H19F3NO+,CC([NH+]1CCOC(C1)c1cccc(c1)C(F)(F)F)C,"InChI=1S/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3/p+1/t13-/m1/s1",-6.0281,-4.5693,-4.5485,-4.5276,-4.1958,-4.1864,1.5830000000000002,1.5849,1.5873,1.604,1.9772,D07340_N06AX10,0006000004001040020006000002000401000090000008000020008000040000100040810000001220002018000000000002004000000000000000020000001008010802081008000000010102000000028000400010200850080800800100000000000000040000004000009110000000060180000110000000050000000000,0100000030f001,018140020400000000000000000000000000000000000000000000000000000000000600e02204,0000000000020121000632448adea8832903ddb91f,3,6,33,0,0,3,38,39,-13.245,-4.217,2,1.0,0.00726764,-,0.527,-,0.527,https://www.genome.jp/dbget-bin/www_bget?dr:D07340
4616,D00563, Mirtazapine (JAN/USAN/INN), Other antidepressants,N06AX11,NERVOUS SYSTEM,[C@H]12N(c3c(Cc4c1cccc4)cccn3)CC[N@H+](C2)C,266.361,2.696,88.9577,20.57,22,1,2,RONZAEMNMFQXRA-MRXNPFEDSA-O,C17H20N3+,C[NH+]1CCN2C(C1)c1ccccc1Cc1c2nccc1,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/p+1/t16-/m1/s1",-6.0548,-4.604,-4.5967,-4.5355,-4.2265,-3.5356,1.6094,1.7473,1.7528,2.3761,3.2318,D00563_N06AX11,0006012020100600030806009881480e801000c080400008800000e00000040012006483214881210084203e000012400002a00000043008054000020082250084001c0000040200002020008208000000c0804004002008400a092080014000011000030024000040000800201004001006011420411000004000000a400008,0100000000f021,020040020400000000000000000000010000000000009000000000000000000000004600c00204,0000040020000100015432149a41ac8341a34da917,0,12,31,0,0,0,40,43,-11.940999999999999,-3.955,2,-1.0,0.005787504000000001,+,0.8839,-,0.8839,https://www.genome.jp/dbget-bin/www_bget?dr:D00563
4617,D07591, Bupropion (INN), Other antidepressants,N06AX12,NERVOUS SYSTEM,c1(C(=O)[C@@H]([NH2+]C(C)(C)C)C)cc(ccc1)Cl,240.74900000000002,2.2731,69.7789,33.68,20,1,1,SNPPWIUOZRMYNY-VIFPVBQESA-O,C13H19ClNO+,Clc1cccc(c1)C(=O)C([NH2+]C(C)(C)C)C,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/p+1/t9-/m0/s1",-5.6871,-5.6763,-4.7697,-4.3286,-2.8283,-2.2177,1.5685,1.7487,1.7615,1.8233,2.2276,D07591_N06AX12,000602000040008002080600000000040000000000000000000000800020000014004c81000000000003221800010000010200000000000000000002000000000000000000000080000000000680000200b800400000300840080800800800000000000000000004000000000000000000060100000110000008000400800000,1500000000f001,010040010400010000000000000000000001000000040000000000000000000000000240c02a04,000000000000010002024840408400002010d0aa1f,0,6,28,1,0,4,35,35,-12.870999999999999,-4.275,1,2.0,3.6757399999999995e-05,-,0.3204,-,0.3204,https://www.genome.jp/dbget-bin/www_bget?dr:D07591
4618,D00817, Bupropion hydrochloride (JAN/USP), Other antidepressants,N06AX12,NERVOUS SYSTEM,c1(C(=O)[C@@H]([NH2+]C(C)(C)C)C)cc(ccc1)Cl,240.74900000000002,2.2731,69.7789,33.68,20,1,1,SNPPWIUOZRMYNY-VIFPVBQESA-O,C13H19ClNO+,Clc1cccc(c1)C(=O)C([NH2+]C(C)(C)C)C,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/p+1/t9-/m0/s1",-5.6897,-5.676,-4.7291,-4.2974,-2.8333,-2.1752,1.5674,1.7388,1.7622,1.8168,2.2209,D00817_N06AX12,000602000040008002080600000000040000000000000000000000800020000014004c81000000000003221800010000010200000000000000000002000000000000000000000080000000000680000200b800400000300840080800800800000000000000000004000000000000000000060100000110000008000400800000,1500000000f001,010040010400010000000000000000000001000000040000000000000000000000000240c02a04,000000000000010002024840408400002010d0aa1f,0,6,28,1,0,4,35,35,-12.866,-4.217,1,4.0,3.67601e-05,-,0.3204,-,0.3204,https://www.genome.jp/dbget-bin/www_bget?dr:D00817
4619,D07938, Bupropion hydrobromide (USAN), Other antidepressants,N06AX12,NERVOUS SYSTEM,c1(cccc(c1)Cl)C(=O)[C@@H]([NH2+]C(C)(C)C)C,240.74900000000002,2.2731,69.7789,33.68,20,1,1,SNPPWIUOZRMYNY-VIFPVBQESA-O,C13H19ClNO+,Clc1cccc(c1)C(=O)C([NH2+]C(C)(C)C)C,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/p+1/t9-/m0/s1",-5.6861,-5.6766,-4.8054,-4.327,-2.8353,-2.2099,1.5676,1.7589,1.7714,1.8208,2.2258,D07938_N06AX12,000602000040008002080600000000040000000000000000000000800020000014004c81000000000003221800010000010200000000000000000002000000000000000000000080000000000680000200b800400000300840080800800800000000000000000004000000000000000000060100000110000008000400800000,1500000000f001,010040010400010000000000000000000001000000040000000000000000000000000240c02a04,000000000000010002024840408400002010d0aa1f,0,6,28,1,0,4,35,35,-12.888,-4.495,1,0.0,0.000939858,+,0.3075,-,0.3075,https://www.genome.jp/dbget-bin/www_bget?dr:D07938
4620,D07341, Medifoxamine (INN), Other antidepressants,N06AX13,NERVOUS SYSTEM,C(Oc1ccccc1)(Oc1ccccc1)C[NH+](C)C,258.335,1.615,77.5217,22.9,22,1,2,QNMGHBMGNRQPNL-UHFFFAOYSA-O,C16H20NO2+,C[NH+](CC(Oc1ccccc1)Oc1ccccc1)C,"InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/p+1",-6.0213,-4.6233,-4.6204,-4.489,-2.9923,-2.0281,1.5732,1.5805,1.5951,1.6087,1.8045,D07341_N06AX13,0002010000000000000006000002000100000020000000000000000000000040000000000000001200000408000004000000020000000800000000000000000008002800011000010000000002008000008000400000204040080000000020000000000000000002000000008010000002060000080000200800000000200004,0100000050f001,000040020400804000000000000000000000000000000000000000000000000000000200c02200,000000000000010000023250080005660840d9f51f,0,12,28,0,0,6,39,40,-12.673,-4.013999999999999,0,0.0,0.002272443,+,0.3706,-,0.3706,https://www.genome.jp/dbget-bin/www_bget?dr:D07341
4621,D02575, Tianeptine (INN), Other antidepressants,N06AX14,NERVOUS SYSTEM,S1(=O)(=O)c2c([C@H](c3c(N1C)cccc3)[NH2+]CCCCCCC(=O)O)ccc(c2)Cl,437.96,4.3122,118.89299999999999,99.67,30,2,5,JICJBGPOMZQUBB-NRFANRHFSA-O,C21H26ClN2O4S+,OC(=O)CCCCCC[NH2+]C1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/p+1/t21-/m0/s1",-9.4068,-9.3266,-8.3715,-6.7614,-5.7253,-5.7121,2.4529,2.5238,2.5291,2.5438,2.7998,D02575_N06AX14,606613600000062002000620808500008c1000d000000400000010e0802000001800500840001c21128b8018000000c001628000002040080700000380a0060008000a0040043a80010280806e8c041e009819600420200cc00818000018000000100063000000001000780020000e000006b100020910010000880112800100,0500000c00f003,020040010400000000008800000000000000000000040000000024000000000000004640c03a04,000004800900451e0485cb36f8c7b0cfffed6fff1f,0,12,42,3,0,8,55,57,-5.962000000000001,-3.2939999999999996,1,-1.0,0.0034461220000000002,+,1.0746,-,1.0746,https://www.genome.jp/dbget-bin/www_bget?dr:D02575
4622,D08589, Tianeptine sodium, Other antidepressants,N06AX14,NERVOUS SYSTEM,S1(=O)(=O)c2c([C@H](c3c(N1C)cccc3)[NH2+]CCCCCCC(=O)O)ccc(c2)Cl,437.96,4.3122,118.89299999999999,99.67,30,2,5,JICJBGPOMZQUBB-NRFANRHFSA-O,C21H26ClN2O4S+,OC(=O)CCCCCC[NH2+]C1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/p+1/t21-/m0/s1",-9.4535,-9.2608,-8.3621,-6.7492,-5.7364,-5.684,2.4457,2.501,2.502,2.5493,2.7844,D08589_N06AX14,606613600000062002000620808500008c1000d000000400000010e0802000001800500840001c21128b8018000000c001628000002040080700000380a0060008000a0040043a80010280806e8c041e009819600420200cc00818000018000000100063000000001000780020000e000006b100020910010000880112800100,0500000c00f003,020040010400000000008800000000000000000000040000000024000000000000004640c03a04,000004800900451e0485cb36f8c7b0cfffed6fff1f,0,12,42,3,0,8,55,57,-5.962999999999999,-3.293,1,-2.0,0.003457995,+,1.0731,-,1.0731,https://www.genome.jp/dbget-bin/www_bget?dr:D08589
4623,D07342, Pivagabine (INN), Other antidepressants,N06AX15,NERVOUS SYSTEM,OC(=O)CCCNC(=O)C(C)(C)C,187.236,1.4044,49.8905,66.4,20,2,4,SRPNQDXRVRCTNK-UHFFFAOYSA-N,C9H17NO3,O=C(C(C)(C)C)NCCCC(=O)O,"InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",-4.6011,-4.3861,-4.3412,-3.842,-3.7997,-2.2598,1.6740000000000002,1.8953,1.9722,2.3736,2.3802,D07342_N06AX15,002a8000000000000100040000000000000000100000000000000000000000001800000000000001000e0410000000000102000000004000000000000000000008000800000000000000000002800004001000400000200080000000000000000000002000000000000000000000100000040000000010000010000000000200,0400000c00a002,0b00000000000000000088000a0000000000000000000000000000000000000000000000402800,00000000000000000202020e88e830048c1456ff09,0,0,27,2,0,6,30,29,-4.39,3.825,0,0.0,,-,0.5479,-,0.5479,https://www.genome.jp/dbget-bin/www_bget?dr:D07342
4624,D08670, Venlafaxine (INN), Other antidepressants,N06AX16,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](C1(CCCCC1)O)C[NH+](C)C)OC,278.41,1.6185,84.4025,33.9,30,2,2,PNVNVHUZROJLTJ-MRXNPFEDSA-O,C17H28NO2+,COc1ccc(cc1)C(C1(O)CCCCC1)C[NH+](C)C,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/p+1/t16-/m1/s1",-6.0234,-4.6289,-4.6109,-4.5324,-1.9113,-1.7301,1.4568,1.4712,1.5702,1.5851,1.5882,D08670_N06AX16,000600000000020002000600020200040000001000001200000000800000000010005081800000011000201800010000010002000020c002000000020000000808000800010004010000a000020000000080014000003008c00808000008000000000000000004020000000040100800000601000a0110200800000100000000,0100004c50f001,064842020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000110002023216898025e20d54ddf51f,0,6,43,0,0,5,48,49,-12.520999999999999,-3.9810000000000003,1,0.0,0.008319346,-,0.4543,-,0.4543,https://www.genome.jp/dbget-bin/www_bget?dr:D08670
4625,D00821, Venlafaxine hydrochloride (JAN/USAN), Other antidepressants,N06AX16,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](C1(CCCCC1)O)C[NH+](C)C)OC,278.41,1.6185,84.4025,33.9,30,2,2,PNVNVHUZROJLTJ-MRXNPFEDSA-O,C17H28NO2+,COc1ccc(cc1)C(C1(O)CCCCC1)C[NH+](C)C,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/p+1/t16-/m1/s1",-6.0298,-4.6117,-4.5494,-4.4499,-1.8799,-1.7089,1.4122,1.4902,1.5528,1.5676,1.5793,D00821_N06AX16,000600000000020002000600020200040000001000001200000000800000000010005081800000011000201800010000010002000020c002000000020000000808000800010004010000a000020000000080014000003008c00808000008000000000000000004020000000040100800000601000a0110200800000100000000,0100004c50f001,064842020400000000000000000000000000000000000000000000000000000000000200c02204,000000000000110002023216898025e20d54ddf51f,0,6,43,0,0,5,48,49,-12.507,-3.9810000000000003,1,,0.008322419000000001,-,0.4543,-,0.4543,https://www.genome.jp/dbget-bin/www_bget?dr:D00821
4626,D08222, Milnacipran (INN), Other antidepressants,N06AX17,NERVOUS SYSTEM,c1ccc(cc1)[C@@]1(C(=O)N(CC)CC)C[C@@H]1C[NH3+],247.356,1.0546,74.6941,47.95,25,1,2,GJJFMKBJSRMPLA-HIFRSBDPSA-O,C15H23N2O+,[NH3+]CC1CC1(c1ccccc1)C(=O)N(CC)CC,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/p+1/t13-,15+/m1/s1",-5.3909,-5.3718,-5.3675,-4.9621,-4.2335,-4.0753,1.7576,1.7593,1.8378,1.8531,1.8811,D08222_N06AX17,00060000002000000b00060000000004000000100000000000000080000000001800508100000000200620180001000001020000000000000000000200000000000000000000004000002001128000050090034000003008c0080800800830000000002000000000000000000000000000060100020110000002000100000300,0500000000f001,0f00c0000400000000008000120000000000000000000000000000000000000000000200c02204,00002000000001200200320e08a01a82012278af1f,0,6,35,1,0,6,41,42,-12.434000000000001,-4.205,2,1.0,0.00011355399999999999,+,2.9984,-,2.9984,https://www.genome.jp/dbget-bin/www_bget?dr:D08222
4627,D01107, Milnacipran hydrochloride (JAN/USAN), Other antidepressants,N06AX17,NERVOUS SYSTEM,c1ccc(cc1)[C@@]1(C(=O)N(CC)CC)C[C@@H]1C[NH3+],247.356,1.0546,74.6941,47.95,25,1,2,GJJFMKBJSRMPLA-HIFRSBDPSA-O,C15H23N2O+,[NH3+]CC1CC1(c1ccccc1)C(=O)N(CC)CC,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/p+1/t13-,15+/m1/s1",-5.3986,-5.3959,-5.297999999999999,-4.9737,-4.2891,-4.2202,1.8421,1.8423,1.8502,1.8913,2.3603,D01107_N06AX17,00060000002000000b00060000000004000000100000000000000080000000001800508100000000200620180001000001020000000000000000000200000000000000000000004000002001128000050090034000003008c0080800800830000000002000000000000000000000000000060100020110000002000100000300,0500000000f001,0f00c0000400000000008000120000000000000000000000000000000000000000000200c02204,00002000000001200200320e08a01a82012278af1f,0,6,35,1,0,6,41,42,-12.427999999999999,-4.21,2,0.0,0.00011345200000000001,+,2.9984,-,2.9984,https://www.genome.jp/dbget-bin/www_bget?dr:D01107
4628,D08472, Reboxetine (INN), Other antidepressants,N06AX18,NERVOUS SYSTEM,c1cc(ccc1)[C@H]([C@@H]1OCC[NH2+]C1)Oc1ccccc1OCC,314.399,3.7368,94.5984,44.3,27,1,3,CBQGYUDMJHNJBX-RTBURBONSA-O,C19H24NO3+,CCOc1ccccc1OC(c1ccccc1)C1OCC[NH2+]C1,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/p+1/t18-,19-/m1/s1",-5.704,-5.6996,-4.4216,-4.3926,-1.6541,-1.6332,1.5545,1.5676,1.5743,1.5771,1.7755,D08472_N06AX18,40070000000000400a00060000020000200080100000000000200080010400101010c008800000172000001820010100010202000200c004000000020000201808a10d0209102c0100000100024080000080004000003008c008080000290000400000200000000200400002c010000000062180080110200802000000000004,0100000070f001,018042010400000000000000000000000000000000000000000000000000000000000600c02204,000000000000010180002a448b50a3e109c3e7f51f,0,12,37,0,0,6,47,49,-11.557,-4.168,2,0.0,0.005442759,+,0.6709999999999999,-,0.6709999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D08472
4629,D02573, Reboxetine mesylate (USAN), Other antidepressants,N06AX18,NERVOUS SYSTEM,c1cc(ccc1)[C@H]([C@@H]1OCC[NH2+]C1)Oc1ccccc1OCC,314.399,3.7368,94.5984,44.3,27,1,3,CBQGYUDMJHNJBX-RTBURBONSA-O,C19H24NO3+,CCOc1ccccc1OC(c1ccccc1)C1OCC[NH2+]C1,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/p+1/t18-,19-/m1/s1",-5.7131,-5.712999999999999,-4.3832,-4.3694,-1.6463,-1.6318,1.5581,1.5593,1.5605,1.5769,1.7782,D02573_N06AX18,40070000000000400a00060000020000200080100000000000200080010400101010c008800000172000001820010100010202000200c004000000020000201808a10d0209102c0100000100024080000080004000003008c008080000290000400000200000000200400002c010000000062180080110200802000000000004,0100000070f001,018042010400000000000000000000000000000000000000000000000000000000000600c02204,000000000000010180002a448b50a3e109c3e7f51f,0,12,37,0,0,6,47,49,-11.546,-4.166,2,2.0,0.005268921,+,0.6709999999999999,-,0.6709999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D02573
4630,D04314, Gepirone hydrochloride (USAN), Other antidepressants,N06AX19,NERVOUS SYSTEM,C1(CC(=O)N(C(=O)C1)CCCC[NH+]1CCN(CC1)c1ncccn1)(C)C,360.474,1.709,112.162,70.84,36,1,6,QOIGKGMMAGJZNZ-UHFFFAOYSA-O,C19H30N5O2+,O=C1CC(C)(C)CC(=O)N1CCCC[NH+]1CCN(CC1)c1ncccn1,"InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3/p+1",-6.2222,-6.0539,-4.7936,-4.7876,-4.5779,-4.4975,1.9916,2.1454,2.352,3.1741,3.1781,D04314_N06AX19,8022000000100040010846001800000800000010000000000000000000000000180010026108802000060436000002000102a00000004000004000000000000004001c00000000000020000012800004001003500400200080000220000120000000002000200000004000000000000000060004000010000010000102000100,0500000000f021,0b0040020400000000008000400000000000000000009000000000000000000000000600c02a01,000000010000012003d6320f8ae2b4c3d9637def1f,0,6,50,2,0,6,56,58,-12.284,-3.835,0,,0.008405796,+,1.4029,-,1.4029,https://www.genome.jp/dbget-bin/www_bget?dr:D04314
4631,D07880, Duloxetine (INN), Other antidepressants,N06AX21,NERVOUS SYSTEM,s1cccc1[C@H](CC[NH2+]C)Oc1cccc2c1cccc2,298.423,3.6047,91.2844,54.08,21,1,2,ZEUITGRIYCTCEM-KRWDZBQOSA-O,C18H20NOS+,C[NH2+]CCC(c1cccs1)Oc1cccc2c1cccc2,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/p+1/t17-/m0/s1",-5.7067,-5.6991,-4.4039,-4.3811,-1.6719,-1.5637,1.4407,1.5627,1.5715,1.5809,1.5852,D07880_N06AX21,5006c100000000480a00060000020000040200900000000004200006000000021010c0008000100188000858202900001500020000008000080000020000200808200c06012000010000010012008000808000c000023000c0084800000900000000000080000002804000024010000000060120080110200802000400000104,0100000050f001,02004201040000000000000000000000000000000000c000000000000000000000004600c02204,00000000080001000000af9099412d600841c5b51f,0,16,27,0,0,6,41,43,-11.220999999999998,-4.149,1,0.0,0.000168055,+,0.6813,+,0.6813,https://www.genome.jp/dbget-bin/www_bget?dr:D07880
4632,D01179, Duloxetine hydrochloride (JAN/USAN), Other antidepressants,N06AX21,NERVOUS SYSTEM,s1cccc1[C@H](CC[NH2+]C)Oc1cccc2c1cccc2,298.423,3.6047,91.2844,54.08,21,1,2,ZEUITGRIYCTCEM-KRWDZBQOSA-O,C18H20NOS+,C[NH2+]CCC(c1cccs1)Oc1cccc2c1cccc2,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/p+1/t17-/m0/s1",-5.7007,-5.6989,-4.3858,-4.3326,-1.6671,-1.5349,1.4363,1.5494,1.5519,1.5791,1.5816,D01179_N06AX21,5006c100000000480a00060000020000040200900000000004200006000000021010c0008000100188000858202900001500020000008000080000020000200808200c06012000010000010012008000808000c000023000c0084800000900000000000080000002804000024010000000060120080110200802000400000104,0100000050f001,02004201040000000000000000000000000000000000c000000000000000000000004600c02204,00000000080001000000af9099412d600841c5b51f,0,16,27,0,0,6,41,43,-11.225,-4.15,1,,0.00016787,+,0.6813,+,0.6813,https://www.genome.jp/dbget-bin/www_bget?dr:D01179
4633,D02578, Agomelatine (INN), Other antidepressants,N06AX22,NERVOUS SYSTEM,c1c2c(c(cc1)CCNC(=O)C)cc(cc2)OC,243.301,2.9179,72.8287,38.33,20,1,3,YJYPHIXNFHFHND-UHFFFAOYSA-N,C15H17NO2,COc1ccc2c(c1)c(CCNC(=O)C)ccc2,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",-4.3722,-3.8405,-3.7871,-2.1732,-1.0267,-0.9589,0.652,0.7545,0.7845,0.9944,1.4759,D02578_N06AX22,0006000000000000030006000002000400000000000012000000008000000000180040810000000008062018000000000002020000000000000000020000000008000000010000010000000002800000008000400000200840080800800000000400000000000402000000000010000000060100080110200810000000000000,0400000050b001,0300020000000000000080000a0000000000000000000000000000000000000000004200402800,000000000000000000000218986939600040d5ff1f,0,11,24,1,0,5,35,36,-8.758,-0.505,0,,0.19330483699999998,+,0.2458,-,0.2458,https://www.genome.jp/dbget-bin/www_bget?dr:D02578
4634,D07793, Desvenlafaxine (INN), Other antidepressants,N06AX23,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](C1(CCCCC1)O)C[NH+](C)C)O,264.383,1.3155,79.9335,44.9,28,3,2,KYYIDSXMWOZKMP-OAHLLOKOSA-O,C16H26NO2+,OC1(CCCCC1)C(c1ccc(cc1)O)C[NH+](C)C,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/p+1/t15-/m1/s1",-6.0224,-4.6269,-4.6055,-4.53,-1.9126,-1.6824,1.455,1.4741,1.5713,1.5822,1.5882,D07793_N06AX23,000600000000020002000600020000040000001000001200000000800000000010005081800000011000201800010000010002000020c002000000020000000808000800000004000000a000020000000080014000003008c0080800000800000000000000000002000000004000080000060100020110200800000100000000,0100004c02f001,064840020400000000000000000000000000000000010000000000000000000000000200c02204,000000000000110002023216898025c20d44ddf51f,0,6,40,0,0,4,45,46,-12.495,-3.987,1,1.0,5.26495e-05,-,0.4464,-,0.4464,https://www.genome.jp/dbget-bin/www_bget?dr:D07793
4635,D02570, Desvenlafaxine succinate (USAN), Other antidepressants,N06AX23,NERVOUS SYSTEM,c1c(ccc(c1)[C@H](C1(CCCCC1)O)C[NH+](C)C)O,264.383,1.3155,79.9335,44.9,28,3,2,KYYIDSXMWOZKMP-OAHLLOKOSA-O,C16H26NO2+,OC1(CCCCC1)C(c1ccc(cc1)O)C[NH+](C)C,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/p+1/t15-/m1/s1",-6.0233,-4.6273,-4.6029,-4.526,-1.9126,-1.68,1.4526,1.4752,1.5717,1.5819,1.5897,D02570_N06AX23,000600000000020002000600020000040000001000001200000000800000000010005081800000011000201800010000010002000020c002000000020000000808000800000004000000a000020000000080014000003008c0080800000800000000000000000002000000004000080000060100020110200800000100000000,0100004c02f001,064840020400000000000000000000000000000000010000000000000000000000000200c02204,000000000000110002023216898025c20d44ddf51f,0,6,40,0,0,4,45,46,-12.494000000000002,-3.988,1,-1.0,5.26532e-05,-,0.4464,-,0.4464,https://www.genome.jp/dbget-bin/www_bget?dr:D02570
4636,D09698, Vilazodone (USAN/INN), Other antidepressants,N06AX24,NERVOUS SYSTEM,c1c(cc2c(c1)oc(c2)C(=O)N)N1CC[NH+](CC1)CCCCc1c2c(ccc(c2)C#N)[nH]c1,442.533,4.94698,137.011,103.49,32,3,5,SGEGOXDYSFKCPT-UHFFFAOYSA-O,C26H28N5O2+,N#Cc1ccc2c(c1)c(CCCC[NH+]1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1",-6.0443,-6.0185,-4.7784,-4.5599,-4.471,-4.4567,1.72,1.746,1.8242,1.8630000000000002,2.9282,D09698_N06AX24,20060000000204800204060180a04008800000185404100c000000a02020040816025882210480200886063800011040010a00000004a00c0400000200404400040004006000000080286000028c00480098a14064003008c00a8800004950020012206000200000000000002013040410068144220118000008200182400000,0500000000f031,02004002050000000000800006000000100100000000a4000000000000000000000046c0c02a00,000000000001012181443ece9a61b0835523cd6f1f,0,20,43,1,1,7,61,65,-10.817,-4.012,0,0.0,0.487154365,-,1.9523,-,1.9523,https://www.genome.jp/dbget-bin/www_bget?dr:D09698
4637,D09699, Vilazodone hydrochloride (USAN), Other antidepressants,N06AX24,NERVOUS SYSTEM,c1c(cc2c(c1)oc(c2)C(=O)N)N1CC[NH+](CC1)CCCCc1c2c(ccc(c2)C#N)[nH]c1,442.533,4.94698,137.011,103.49,32,3,5,SGEGOXDYSFKCPT-UHFFFAOYSA-O,C26H28N5O2+,N#Cc1ccc2c(c1)c(CCCC[NH+]1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1",-6.0421,-6.0349,-4.7868,-4.5901,-4.5569,-4.5556,1.7411,1.7426,1.834,1.8632,2.9136,D09699_N06AX24,20060000000204800204060180a04008800000185404100c000000a02020040816025882210480200886063800011040010a00000004a00c0400000200404400040004006000000080286000028c00480098a14064003008c00a8800004950020012206000200000000000002013040410068144220118000008200182400000,0500000000f031,02004002050000000000800006000000100100000000a4000000000000000000000046c0c02a00,000000000001012181443ece9a61b0835523cd6f1f,0,20,43,1,1,7,61,65,-10.815,-4.012,0,2.0,0.48713284700000004,-,1.9523,-,1.9523,https://www.genome.jp/dbget-bin/www_bget?dr:D09699
4638,D10184, Vortioxetine (USAN), Other antidepressants,N06AX26,NERVOUS SYSTEM,c1cc(c(cc1)N1CC[NH2+]CC1)Sc1ccc(cc1C)C,299.454,4.4722,99.2604,45.15,25,1,2,YQNWZWMKLDQSAC-UHFFFAOYSA-O,C18H23N2S+,Cc1ccc(c(c1)C)Sc1ccccc1N1CC[NH2+]CC1,"InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3/p+1",-5.7165,-5.7142,-4.342,-4.3401,-3.0194,-3.0148,1.5638,1.5649,1.7352,1.7365,1.7667,D10184_N06AX26,2002010000a000000000060100820008800000001000200000020080006000000b0048022000802000000028000010c0000000000000200804000002001004040a0000004000000000200100020000000080006024402000400a0000000000000040000000000000200000000100040000061104200102000012800002400000,0100000000f121,010050010500000000000000000000000000000000000000000000000000000000000600c02200,00000000000001a40044bb048a40a08351a37da917,0,12,34,0,0,3,44,46,-10.883,-3.9930000000000003,0,0.0,0.018510466,+,0.6476,-,0.6476,https://www.genome.jp/dbget-bin/www_bget?dr:D10184
4639,D10185, Vortioxetine hydrobromide (JAN/USAN), Other antidepressants,N06AX26,NERVOUS SYSTEM,c1cc(c(cc1)N1CC[NH2+]CC1)Sc1ccc(cc1C)C,299.454,4.4722,99.2604,45.15,25,1,2,YQNWZWMKLDQSAC-UHFFFAOYSA-O,C18H23N2S+,Cc1ccc(c(c1)C)Sc1ccccc1N1CC[NH2+]CC1,"InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3/p+1",-5.7171,-5.7122,-4.3474,-4.3447,-3.0184,-3.0078,1.5590000000000002,1.5623,1.7342,1.7373,1.7639,D10185_N06AX26,2002010000a000000000060100820008800000001000200000020080006000000b0048022000802000000028000010c0000000000000200804000002001004040a0000004000000000200100020000000080006024402000400a0000000000000040000000000000200000000100040000061104200102000012800002400000,0100000000f121,010050010500000000000000000000000000000000000000000000000000000000000600c02200,00000000000001a40044bb048a40a08351a37da917,0,12,34,0,0,3,44,46,-10.829,-3.9589999999999996,0,-1.0,0.002017461,+,0.6476,-,0.6476,https://www.genome.jp/dbget-bin/www_bget?dr:D10185
4640,D07445, Amfetamine (INN), Centrally acting sympathomimetics,N06BA01,NERVOUS SYSTEM,c1(ccccc1)C[C@H](C)[NH3+],136.214,0.8595,44.9871,27.64,14,1,0,KWTSXDURSIMDCE-QMMMGPOBSA-O,C9H14N+,CC(Cc1ccccc1)[NH3+],"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/p+1/t8-/m0/s1",-5.377000000000001,-5.3764,-5.3583,-4.1326,-0.7097,-0.4817,1.545,1.5479,1.558,1.754,1.7585,D07445_N06BA01,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000000080400400000040ac17,0,6,18,0,0,2,24,24,-13.179,-4.053,1,1.0,7.645880000000001e-06,+,0.8089,+,0.8089,https://www.genome.jp/dbget-bin/www_bget?dr:D07445
4641,D02074, Amphetamine sulfate (USP), Centrally acting sympathomimetics,N06BA01,NERVOUS SYSTEM,c1(ccccc1)C[C@H](C)[NH3+],136.214,0.8595,44.9871,27.64,14,1,0,KWTSXDURSIMDCE-QMMMGPOBSA-O,C9H14N+,CC(Cc1ccccc1)[NH3+],"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/p+1/t8-/m0/s1",-5.3774,-5.3773,-5.3566,-4.1323,-0.7096,-0.4901,1.545,1.5463,1.5591,1.7530000000000001,1.7584,D02074_N06BA01,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000000080400400000040ac17,0,6,18,0,0,2,24,24,-13.177999999999999,-4.053,1,,7.64676e-06,+,0.8089,+,0.8089,https://www.genome.jp/dbget-bin/www_bget?dr:D02074
4642,D03740, Dextroamphetamine (USAN), Centrally acting sympathomimetics,N06BA02,NERVOUS SYSTEM,c1(ccccc1)C[C@H](C)[NH3+],136.214,0.8595,44.9871,27.64,14,1,0,KWTSXDURSIMDCE-QMMMGPOBSA-O,C9H14N+,CC(Cc1ccccc1)[NH3+],"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/p+1/t8-/m0/s1",-5.3775,-5.3771,-5.3566,-4.1316,-0.7093,-0.4983,1.5438,1.5474,1.558,1.7531,1.7605,D03740_N06BA02,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000000080400400000040ac17,0,6,18,0,0,2,24,24,-13.17,-4.052,1,,9.883060000000001e-06,+,0.8089,+,0.8089,https://www.genome.jp/dbget-bin/www_bget?dr:D03740
4643,D02078, Dextroamphetamine sulfate (USP), Centrally acting sympathomimetics,N06BA02,NERVOUS SYSTEM,c1(ccccc1)C[C@H](C)[NH3+],136.214,0.8595,44.9871,27.64,14,1,0,KWTSXDURSIMDCE-QMMMGPOBSA-O,C9H14N+,CC(Cc1ccccc1)[NH3+],"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/p+1/t8-/m0/s1",-5.3779,-5.3774,-5.3555,-4.1323,-0.7106,-0.4869,1.5444,1.5465,1.5591,1.7523,1.7594,D02078_N06BA02,0004000000000000020006000000000400000000000000000000008000000000100040810000000000000018000100000100000000000000000000020000000000000000000000000000000000000000008000400000100840080800000800000000000000000000000000000000000000060100000100000000000000000000,0100000000f001,0300c0000400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000000080400400000040ac17,0,6,18,0,0,2,24,24,-13.177999999999999,-4.053,1,0.0,7.64227e-06,+,0.8089,+,0.8089,https://www.genome.jp/dbget-bin/www_bget?dr:D02078
4644,D08187, Metamfetamine (INN), Centrally acting sympathomimetics,N06BA03,NERVOUS SYSTEM,c1(C[C@@H]([NH2+]C)C)ccccc1,150.241,0.8108,49.8884,16.61,16,1,0,MYWUZJCMWCOHBA-VIFPVBQESA-O,C10H16N+,CC(Cc1ccccc1)[NH2+]C,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/p+1/t9-/m0/s1",-5.7037,-5.6901,-4.4019,-4.3365,-0.74,-0.5038,1.4147,1.5648,1.5717,1.5804,1.5811,D08187_N06BA03,0006000000000000020006000000000400000000000000000000008000000000100040810000000000002018000100000100000000000000000000020000000000000000000000000000000000000000008000400000300840080800000800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000081080400c00000050ac17,0,6,21,0,0,3,27,27,-12.953,-4.09,1,1.0,4.4860299999999995e-05,+,0.7867,+,0.7867,https://www.genome.jp/dbget-bin/www_bget?dr:D08187
4645,D02242, Methamphetamine hydrochloride (JP17/USP, Centrally acting sympathomimetics,N06BA03,NERVOUS SYSTEM,c1(C[C@@H]([NH2+]C)C)ccccc1,150.241,0.8108,49.8884,16.61,16,1,0,MYWUZJCMWCOHBA-VIFPVBQESA-O,C10H16N+,CC(Cc1ccccc1)[NH2+]C,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/p+1/t9-/m0/s1",-5.7049,-5.6879,-4.4104,-4.343,-0.7533,-0.5128,1.4295,1.5549,1.5737,1.5741,1.5847,D02242_N06BA03,0006000000000000020006000000000400000000000000000000008000000000100040810000000000002018000100000100000000000000000000020000000000000000000000000000000000000000008000400000300840080800000800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000081080400c00000050ac17,0,6,21,0,0,3,27,27,-12.952,-4.0889999999999995,1,,4.48525e-05,+,0.7867,+,0.7867,https://www.genome.jp/dbget-bin/www_bget?dr:D02242
4646,D04999, Methylphenidate (USAN/INN), Centrally acting sympathomimetics,N06BA04,NERVOUS SYSTEM,[C@H](c1ccccc1)([C@H]1CCCC[NH2+]1)C(=O)OC,234.31400000000002,2.6283,71.9074,42.91,22,1,2,DUGOZIWVEXMGBE-OLZOCXBDSA-O,C14H20NO2+,COC(=O)C(c1ccccc1)C1CCCC[NH2+]1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13+/m1/s1",-5.7009,-5.6837,-4.4106,-4.386,-4.2885,-3.0016,1.5548,1.5739,1.5761,1.7005,1.7849,D04999_N06BA04,00260000002002000200060002020004000000100000000000000080011000001000408180000001100a201800010000010200001020c004000000020000a20808000800000004400000a0000a80000d0090015000003008c0080800800800004000002000000000000000004000080000070100020110000000000100000100,0500000030f005,060040010400000000009000000000000000000000000000000000000000000000000600c02a05,000000000000010000000a168b4020a5010145fb1f,0,6,31,1,0,4,37,38,-13.325999999999999,-3.701,2,0.0,0.001004851,-,0.5555,-,0.5555,https://www.genome.jp/dbget-bin/www_bget?dr:D04999
4647,D01296, Methylphenidate hydrochloride (JAN/USP), Centrally acting sympathomimetics,N06BA04,NERVOUS SYSTEM,[C@H](c1ccccc1)([C@H]1CCCC[NH2+]1)C(=O)OC,234.31400000000002,2.6283,71.9074,42.91,22,1,2,DUGOZIWVEXMGBE-OLZOCXBDSA-O,C14H20NO2+,COC(=O)C(c1ccccc1)C1CCCC[NH2+]1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13+/m1/s1",-5.6967,-5.6847,-4.3979,-4.3902,-4.3079,-3.0128,1.5612,1.564,1.5773,1.7253,1.7833,D01296_N06BA04,00260000002002000200060002020004000000100000000000000080011000001000408180000001100a201800010000010200001020c004000000020000a20808000800000004400000a0000a80000d0090015000003008c0080800800800004000002000000000000000004000080000070100020110000000000100000100,0500000030f005,060040010400000000009000000000000000000000000000000000000000000000000600c02a05,000000000000010000000a168b4020a5010145fb1f,0,6,31,1,0,4,37,38,-13.325999999999999,-3.701,2,0.0,0.001004851,-,0.5555,-,0.5555,https://www.genome.jp/dbget-bin/www_bget?dr:D01296
4648,D00744, Pemoline (JAN/USAN/INN), Centrally acting sympathomimetics,N06BA05,NERVOUS SYSTEM,[C@H]1(OC(=[NH]C1=O)N)c1ccccc1,177.18,0.9493,50.8741,76.17,13,2,3,LXIGWPFIRGDHFN-ZETCQYMHSA-N,C9H9N2O2,O=C1[NH]=C(OC1c1ccccc1)N,"InChI=1S/C9H9N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7,11H,10H2/t7-/m0/s1",-7.0624,-6.4239999999999995,-6.2796,-6.0465,-4.837,-4.8186,2.6918,2.6991,2.7533,3.1929,4.1152,D00744_N06BA05,000440000020004c020006000002200d0001002000100040022000800000000019004081000008022006003800800000000008008000080002000082000800000800388200100040080201000180000101d000401000000842080800000100000000000060000100004000000000080000060100000100000000480000000001,0400000030b001,000000000000000000008000000000000040000000000000000000000000000000000640403804,000000001004002180300cc90122d0411461e07a1f,0,6,15,2,0,1,22,23,-13.314,-5.74,1,,1.5554e-05,+,0.2927,-,0.2927,https://www.genome.jp/dbget-bin/www_bget?dr:D00744
4649,D07343, Fencamfamin (INN), Centrally acting sympathomimetics,N06BA06,NERVOUS SYSTEM,C1C[C@H]2[C@@H]([C@H]([C@@H]1C2)c1ccccc1)[NH2+]CC,216.342,2.1519999999999997,69.6954,16.61,22,1,0,IKFBPFGUINLYQI-XGUBFFRZSA-O,C15H22N+,CC[NH2+]C1C2CCC(C1c1ccccc1)C2,"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3/p+1/t12-,13+,14-,15-/m0/s1",-5.7056,-5.7016,-4.3724,-4.3445,-0.7396,-0.4788,1.4373,1.5499,1.5658,1.5687,1.5762,D07343_N06BA06,00060000000002000200060102000004000000100000000000000080000000001000508100000000100020180001000001020000002000020000000200000000000000000000000000002000020000000080014000003008c0080800800800000000002000000000000000000000000000060100020110000000000100000000,0100000000f001,070040010400000000000000000000000000000000000000000000000000000000008200c02204,000000000000012000000a8608012280110065ad17,0,6,34,0,0,3,38,40,-12.918,-3.739,4,0.0,0.001058486,+,1.0069,-,1.0069,https://www.genome.jp/dbget-bin/www_bget?dr:D07343
4650,D01832, Modafinil (JAN/USAN/INN), Centrally acting sympathomimetics,N06BA07,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)[S@@](=O)CC(=O)N,273.35,3.576,76.6939,79.37,18,1,3,YFGHCGITMMYXAQ-IBGZPJMESA-N,C15H15NO2S,NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m0/s1",-4.7881,-4.2141,-4.1846,-3.8167,-1.2803,-1.25,1.1397,1.3780000000000001,1.4668,1.489,1.9419,D01832_N06BA07,200401020000000002000600800000004000004000000000000000a000000400100048000002000002060008000000000110000000000000000100020800000400000000000000800000044000900000008000400008000844480800000000000000000104000000000000000000010000061100082500202000004402000000,0400000000b101,000000000000000000008000060000000000000000000000000100000000000000000200402805,000000000000041804018909a16010088800496f1f,0,12,21,2,0,5,34,35,-9.377,-0.092,0,0.0,0.08198779099999999,-,0.5017,-,0.5017,https://www.genome.jp/dbget-bin/www_bget?dr:D01832
4651,D07344, Fenozolone (INN), Centrally acting sympathomimetics,N06BA08,NERVOUS SYSTEM,C1(=[NH]C(=O)[C@H](O1)c1ccccc1)NCC,205.233,1.2907,60.5824,62.18,17,2,3,FKXCGTXLKRWFLM-SECBINFHSA-N,C11H13N2O2,CCNC1=[NH]C(=O)C(O1)c1ccccc1,"InChI=1S/C11H13N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9,12-13H,2H2,1H3/t9-/m1/s1",-7.4058,-6.4221,-6.285,-6.0499,-5.0601,-4.4241,2.6637,2.705,2.8087,3.3271,4.105,D07344_N06BA08,00064000002000cc020006001002200f000120a0001000400220008000000000190040810000080a30060038008000000000080080081800020400820008000008003a8200100040080201000184000101d000401020201842081800000300000000000060000100004000000000080000060100000100000010480040000001,0400000030b001,010000000000000000008000000000000040000000000000000000000000000000000640403804,0000000010040021803006cb0922d2411461e0ff1f,0,6,21,2,0,3,28,29,-13.19,-5.6339999999999995,1,1.0,8.676139999999999e-05,+,0.307,-,0.307,https://www.genome.jp/dbget-bin/www_bget?dr:D07344
4652,D07473, Atomoxetine (INN), Centrally acting sympathomimetics,N06BA09,NERVOUS SYSTEM,c1cccc(c1C)O[C@H](CC[NH2+]C)c1ccccc1,256.363,2.6984,80.8674,25.84,23,1,1,VHGCDTVCOLNTBX-QGZVFWFLSA-O,C17H22NO+,C[NH2+]CCC(c1ccccc1)Oc1ccccc1C,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/p+1/t17-/m1/s1",-5.7112,-5.6926,-4.3992,-4.3988,-1.7254,-1.5194,1.5579,1.5714,1.5715,1.5834,1.5866,D07473_N06BA09,40060000000000400a00060000030000000000100000000000200080004000001010c0008000000120000018000100000100020000008000008000220000200008200c020100000100000100020080000080004000003008c0080800000900000000000000000002004000020010000000060100080110200802000000000004,0100000050f001,030042010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000002a1089402d6008c0f5b51f,0,12,30,0,0,6,41,42,-11.508,-4.227,1,0.0,0.003385047,+,0.4548,-,0.4548,https://www.genome.jp/dbget-bin/www_bget?dr:D07473
4653,D02574, Atomoxetine hydrochloride (JAN/USAN), Centrally acting sympathomimetics,N06BA09,NERVOUS SYSTEM,c1cccc(c1C)O[C@H](CC[NH2+]C)c1ccccc1,256.363,2.6984,80.8674,25.84,23,1,1,VHGCDTVCOLNTBX-QGZVFWFLSA-O,C17H22NO+,C[NH2+]CCC(c1ccccc1)Oc1ccccc1C,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/p+1/t17-/m1/s1",-5.7048,-5.702999999999999,-4.4029,-4.3537,-1.5355,-1.4294,1.4391,1.5579,1.5654,1.5805,1.5828,D02574_N06BA09,40060000000000400a00060000030000000000100000000000200080004000001010c0008000000120000018000100000100020000008000008000220000200008200c020100000100000100020080000080004000003008c0080800000900000000000000000002004000020010000000060100080110200802000000000004,0100000050f001,030042010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000010000002a1089402d6008c0f5b51f,0,12,30,0,0,6,41,42,-11.482000000000001,-4.228,1,,0.003382971,+,0.4548,-,0.4548,https://www.genome.jp/dbget-bin/www_bget?dr:D02574
4654,D07944, Fenetylline (INN), Centrally acting sympathomimetics,N06BA10,NERVOUS SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2CC[NH2+][C@H](Cc1ccccc1)C,342.415,-0.3717,99.8134,78.43,27,1,6,NMCHYWGKBADVMK-ZDUSSCGKSA-O,C18H24N5O2+,CC(Cc1ccccc1)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3/p+1/t13-/m0/s1",-5.7023,-5.6463,-4.8127,-4.5862,-4.3637,-4.3427,1.5778,1.5848,1.6267,1.7902,2.6225,D07944_N06BA10,800e0000000008c0120046000040000c0000040000000060000020c00000040014007083410080214000203800010080010200000000400000800802000080000c000c00800828000000400102900000008000400c90300ce008088080096006000000000080000080c00000400018000007014200011800001c80002a000000,0100000000f001,030040010400000000008000200000004042040000009900000000000000000000004640c03204,000000003000010001d41ed99b6bbdc381f37def1f,0,16,33,2,0,6,49,51,-11.905999999999999,-4.348,1,1.0,0.000902048,+,1.5302,-,1.5302,https://www.genome.jp/dbget-bin/www_bget?dr:D07944
4655,D04147, Fenethylline hydrochloride (USAN), Centrally acting sympathomimetics,N06BA10,NERVOUS SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2CC[NH2+][C@H](Cc1ccccc1)C,342.415,-0.3717,99.8134,78.43,27,1,6,NMCHYWGKBADVMK-ZDUSSCGKSA-O,C18H24N5O2+,CC(Cc1ccccc1)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3/p+1/t13-/m0/s1",-5.7089,-5.638999999999999,-4.7939,-4.5902,-4.3496,-4.336,1.5592,1.5643,1.6212,1.7985,2.5565,D04147_N06BA10,800e0000000008c0120046000040000c0000040000000060000020c00000040014007083410080214000203800010080010200000000400000800802000080000c000c00800828000000400102900000008000400c90300ce008088080096006000000000080000080c00000400018000007014200011800001c80002a000000,0100000000f001,030040010400000000008000200000004042040000009900000000000000000000004640c03204,000000003000010001d41ed99b6bbdc381f37def1f,0,16,33,2,0,6,49,51,-11.905999999999999,-4.348,1,,0.000902293,+,1.5302,-,1.5302,https://www.genome.jp/dbget-bin/www_bget?dr:D04147
4656,D07806, Dexmethylphenidate (INN), Centrally acting sympathomimetics,N06BA11,NERVOUS SYSTEM,[C@@H]([C@H]1CCCC[NH2+]1)(C(=O)OC)c1ccccc1,234.31400000000002,2.6283,71.9074,42.91,22,1,2,DUGOZIWVEXMGBE-CHWSQXEVSA-O,C14H20NO2+,COC(=O)C(c1ccccc1)C1CCCC[NH2+]1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1",-5.6982,-5.6498,-4.4287,-4.3986,-4.3180000000000005,-3.0056,1.5633,1.5792,1.67,1.7919999999999998,1.8934,D07806_N06BA11,00260000002002000200060002020004000000100000000000000080011000001000408180000001100a201800010000010200001020c004000000020000a20808000800000004400000a0000a80000d0090015000003008c0080800800800004000002000000000000000004000080000070100020110000000000100000100,0500000030f005,060040010400000000009000000000000000000000000000000000000000000000000600c02a05,000000000000010000000a168b4020a5010145fb1f,0,6,31,1,0,4,37,38,-12.940999999999999,-3.94,2,-2.0,0.001015051,-,0.5555,-,0.5555,https://www.genome.jp/dbget-bin/www_bget?dr:D07806
4657,D03721, Dexmethylphenidate hydrochloride (USAN), Centrally acting sympathomimetics,N06BA11,NERVOUS SYSTEM,[C@@H]([C@H]1CCCC[NH2+]1)(C(=O)OC)c1ccccc1,234.31400000000002,2.6283,71.9074,42.91,22,1,2,DUGOZIWVEXMGBE-CHWSQXEVSA-O,C14H20NO2+,COC(=O)C(c1ccccc1)C1CCCC[NH2+]1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1",-5.7024,-5.6295,-4.4361,-4.4158,-4.3273,-2.9993,1.5755,1.5773,1.7056,1.7756,1.8906,D03721_N06BA11,00260000002002000200060002020004000000100000000000000080011000001000408180000001100a201800010000010200001020c004000000020000a20808000800000004400000a0000a80000d0090015000003008c0080800800800004000002000000000000000004000080000070100020110000000000100000100,0500000030f005,060040010400000000009000000000000000000000000000000000000000000000000600c02a05,000000000000010000000a168b4020a5010145fb1f,0,6,31,1,0,4,37,38,-12.942,-3.94,2,,0.001014935,-,0.5555,-,0.5555,https://www.genome.jp/dbget-bin/www_bget?dr:D03721
4658,D08130, Lisdexamfetamine (INN), Centrally acting sympathomimetics,N06BA12,NERVOUS SYSTEM,c1cccc(c1)C[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])C,265.394,0.1474,80.7959,84.38,29,3,2,VOBHXZCDAVEXEY-JSGCOSHPSA-P,C15H27N3O++,[NH3+]CCCCC(C(=O)NC(Cc1ccccc1)C)[NH3+],"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/p+2/t12-,14-/m0/s1",-5.3713,-5.3711,-5.3685,-5.3679,-5.3611,-5.3558,1.7676,1.7703,2.1492,2.6092,2.7703,D08130_N06BA12,0026000000000000030006000000000c0000001000000000000000800000000018005083010000003006203800010000010200000020000000000002000000000000000000000000000000000a80000400b0014000003008c0080800800800000400002000000000000000000000000000060100000110000010000100000100,0500000000f001,0300c00004000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040024e88603400052044af1f,0,6,39,1,0,9,46,46,-13.217,-6.702000000000001,2,0.0,8.862899999999999e-11,-,0.7053,-,0.7053,https://www.genome.jp/dbget-bin/www_bget?dr:D08130
4659,D04747, Lisdexamfetamine dimesylate (USAN), Centrally acting sympathomimetics,N06BA12,NERVOUS SYSTEM,c1cccc(c1)C[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])C,265.394,0.1474,80.7959,84.38,29,3,2,VOBHXZCDAVEXEY-JSGCOSHPSA-P,C15H27N3O++,[NH3+]CCCCC(C(=O)NC(Cc1ccccc1)C)[NH3+],"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/p+2/t12-,14-/m0/s1",-5.3802,-5.3801,-5.3673,-5.3665,-5.3599,-5.3513,1.7723,1.7779,2.1667,2.6369,2.7822,D04747_N06BA12,0026000000000000030006000000000c0000001000000000000000800000000018005083010000003006203800010000010200000020000000000002000000000000000000000000000000000a80000400b0014000003008c0080800800800000400002000000000000000000000000000060100000110000010000100000100,0500000000f001,0300c00004000000000080000a0000000000000000000000000000000000000000000200c02a04,00000000000021000040024e88603400052044af1f,0,6,39,1,0,9,46,46,-13.218,-6.702000000000001,2,0.0,8.79236e-11,-,0.7053,-,0.7053,https://www.genome.jp/dbget-bin/www_bget?dr:D04747
4660,D03215, Armodafinil (USAN/INN), Centrally acting sympathomimetics,N06BA13,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)[S@](=O)CC(=O)N,273.35,3.576,76.6939,79.37,18,1,3,YFGHCGITMMYXAQ-LJQANCHMSA-N,C15H15NO2S,NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1",-4.7978,-4.2,-4.1781,-3.7744,-1.2953,-1.2676,1.1384,1.3818,1.4631,1.4894,1.9377,D03215_N06BA13,200401020000000002000600800000004000004000000000000000a000000400100048000002000002060008000000000110000000000000000100020800000400000000000000800000044000900000008000400008000844480800000000000000000104000000000000000000010000061100082500202000004402000000,0400000000b101,000000000000000000008000060000000000000000000000000100000000000000000200402805,000000000000041804018909a16010088800496f1f,0,12,21,2,0,5,34,35,-9.381,-0.09,0,0.0,0.08198994400000001,-,0.5017,-,0.5017,https://www.genome.jp/dbget-bin/www_bget?dr:D03215
4661,D00528, Caffeine (USP), Xanthine derivatives,N06BC01,NERVOUS SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2C,194.19099999999997,-1.0293,52.038999999999994,61.82,13,0,6,RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",-4.7804,-4.5873,-3.0921,-3.0075,-2.9667,-1.7339,1.2794,1.4083,1.4861,1.4933,1.5144,D00528_N06BC01,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800800000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000007010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009900000000000000000000004640401000,000000003000000001d414d91323914380f138ea1f,0,10,13,2,0,0,24,25,-9.29,-0.11800000000000001,0,0.0,0.001588055,-,0.8214,-,0.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D00528
4662,D01453, Caffeine hydrate (JP17), Xanthine derivatives,N06BC01,NERVOUS SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2C,194.19099999999997,-1.0293,52.038999999999994,61.82,13,0,6,RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",-4.7804,-4.5873,-3.0921,-3.0075,-2.9667,-1.7339,1.2794,1.4083,1.4861,1.4933,1.5144,D01453_N06BC01,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800800000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000007010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009900000000000000000000004640401000,000000003000000001d414d91323914380f138ea1f,0,10,13,2,0,0,24,25,-9.288,-0.115,0,,0.00158658,-,0.8214,-,0.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D01453
4663,D07603, Caffeine citrate (USP), Xanthine derivatives,N06BC01,NERVOUS SYSTEM,c12c(n(c(=O)n(c1=O)C)C)ncn2C,194.19099999999997,-1.0293,52.038999999999994,61.82,13,0,6,RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",-4.7804,-4.5873,-3.0921,-3.0075,-2.9667,-1.7339,1.2794,1.4083,1.4861,1.4933,1.5144,D07603_N06BC01,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800800000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000007010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009900000000000000000000004640401000,000000003000000001d414d91323914380f138ea1f,0,10,13,2,0,0,24,25,-9.292,-0.12,0,2.0,0.0015868070000000002,-,0.8214,-,0.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D07603
4664,D01630, Propentofylline (JAN/INN), Xanthine derivatives,N06BC02,NERVOUS SYSTEM,n1(c(=O)n(c2c(c1=O)n(cn2)CCC)C)CCCCC(=O)C,306.36,1.0659999999999998,85.88799999999999,78.89,26,0,7,RBQOQRRFDPXAGN-UHFFFAOYSA-N,C15H22N4O3,CCCn1cnc2c1c(=O)n(CCCCC(=O)C)c(=O)n2C,"InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3",-4.721,-4.5618,-3.1152,-3.0138,-3.008,-2.9841,1.2817,1.4154,1.5045,1.5059,1.5114,D01630_N06BC02,80020000000008c000004600004000000000040000000060000020c00000040014003000410080215002001000010080010000000020400000800800000080000c000c00800028000000c00010900004001001400c80000ca000008000014006000000000080000040c00000400008000007010200000800001880012a000100,14000000003001,030000000000010000008000200000004042040000009900000000000000000000004640403801,000000003000000001d414d91b6bbf4389f3beef1f,0,10,32,3,0,7,44,45,-9.271,-0.182,0,,0.018399959,-,1.3781,-,1.3781,https://www.genome.jp/dbget-bin/www_bget?dr:D01630
4665,D00993, Meclofenoxate (INN), Other psychostimulants and nootropics,N06BX01,NERVOUS SYSTEM,C[NH+](CCOC(=O)COc1ccc(cc1)Cl)C,258.721,0.4065,67.4177,39.97,20,1,3,XZTYGFHCIAKPGJ-UHFFFAOYSA-O,C12H17ClNO3+,O=C(COc1ccc(cc1)Cl)OCC[NH+](C)C,"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3/p+1",-6.0396,-4.6132,-4.6057,-4.5676,-4.4674,-2.9771,1.5939,1.5971,1.6316,1.9848,2.1318,D00993_N06BX01,00020200000000000000060000020000200080000800100000000000002400000000000800000016000b000800000000000002000200000000040080000006000800090009102001000000000680800200c800400000240040080000002000004000000000000002000000008010000000060080080200200800000000800004,0500000070f005,000042020400000000009000000000000000000000040000000000000000000000000200c02a00,000000000000010080027250c8542de62942def71f,0,6,27,1,0,7,34,34,-11.155,-4.59,0,0.0,0.0007075510000000001,+,0.3045,-,0.3045,https://www.genome.jp/dbget-bin/www_bget?dr:D00993
4666,D02243, Meclofenoxate hydrochloride (JP17), Other psychostimulants and nootropics,N06BX01,NERVOUS SYSTEM,c1(ccc(cc1)Cl)OCC(=O)OCC[NH+](C)C,258.721,0.4065,67.4177,39.97,20,1,3,XZTYGFHCIAKPGJ-UHFFFAOYSA-O,C12H17ClNO3+,O=C(COc1ccc(cc1)Cl)OCC[NH+](C)C,"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3/p+1",-6.025,-4.6243,-4.5946,-4.5352,-4.4405,-2.9434,1.5717,1.5771,1.5794,1.8928,2.0094,D02243_N06BX01,00020200000000000000060000020000200080000800100000000000002400000000000800000016000b000800000000000002000200000000040080000006000800090009102001000000000680800200c800400000240040080000002000004000000000000002000000008010000000060080080200200800000000800004,0500000070f005,000042020400000000009000000000000000000000040000000000000000000000000200c02a00,000000000000010080027250c8542de62942def71f,0,6,27,1,0,7,34,34,-11.158,-4.59,0,,0.000841359,+,0.3045,-,0.3045,https://www.genome.jp/dbget-bin/www_bget?dr:D02243
4667,D02160, Pyrithioxine (JAN), Other psychostimulants and nootropics,N06BX02,NERVOUS SYSTEM,c1(c(c(c(cn1)CSSCc1c(c(c(nc1)C)O)CO)CO)O)C,368.471,2.5708,97.7076,157.3,28,4,8,SIXLXDIJGIWWFU-UHFFFAOYSA-N,C16H20N2O4S2,OCc1c(CSSCc2cnc(c(c2CO)O)C)cnc(c1O)C,"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",-2.9104,-2.9027,-2.6871,-1.1562,-1.1084,-1.1014,1.2546,1.258,1.2961,1.3124,1.5141,D02160_N06BX02,20000100010008408000020004104000000000104000404800000080002404000000400000008220008000086001014000000a400080200004010002100100204c200c020000020000802400c4180080000800400400000250000000000140000008200000008000048100002010040010021050006110601808004042000000,0000001c02b201,011800004000000000000000000000000000000000019000000000800000000000000600403000,0020000000001000050082470218814905efb3dd1f,0,12,33,0,0,7,44,45,-9.294,-1.995,0,,0.410622418,-,0.8791,-,0.8791,https://www.genome.jp/dbget-bin/www_bget?dr:D02160
4668,D02536, Pyrithioxine hydrochloride (JAN), Other psychostimulants and nootropics,N06BX02,NERVOUS SYSTEM,c1(c(c(c(cn1)CSSCc1c(c(c(nc1)C)O)CO)CO)O)C,368.471,2.5708,97.7076,157.3,28,4,8,SIXLXDIJGIWWFU-UHFFFAOYSA-N,C16H20N2O4S2,OCc1c(CSSCc2cnc(c(c2CO)O)C)cnc(c1O)C,"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",-2.9145,-2.9016,-2.7204,-1.4199,-1.166,-1.1618,1.2505,1.2611,1.2964,1.3134,1.8111,D02536_N06BX02,20000100010008408000020004104000000000104000404800000080002404000000400000008220008000086001014000000a400080200004010002100100204c200c020000020000802400c4180080000800400400000250000000000140000008200000008000048100002010040010021050006110601808004042000000,0000001c02b201,011800004000000000000000000000000000000000019000000000800000000000000600403000,0020000000001000050082470218814905efb3dd1f,0,12,33,0,0,7,44,45,-9.295,-1.9980000000000002,0,,0.40006065399999996,-,0.8791,-,0.8791,https://www.genome.jp/dbget-bin/www_bget?dr:D02536
4669,D01914, Piracetam (JAN/USAN/INN), Other psychostimulants and nootropics,N06BX03,NERVOUS SYSTEM,N1(CC(=O)N)C(=O)CCC1,142.156,-0.2677,38.7604,63.4,14,1,4,GMZVRMREEHBGGF-UHFFFAOYSA-N,C6H10N2O2,NC(=O)CN1CCCC1=O,"InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)",-4.7949,-4.215,-4.1928,-3.9042,-3.8223,-3.8054,1.7135,1.9392,2.0109,2.3318,2.3836,D01914_N06BX03,0002800000400020010004000000000800000010000000000000000000000000180000020100000000060030000000000102000000000000000000000000000000000000000000800000000002800006003000400000200080000000000000000000002000000000100000000000000000040000000010000030000000000200,0400000000a001,020000000000000000008000260000000000000000000000000000000000000000000400402801,000000000000000000443ccc886030c389636c6f19,0,0,18,2,0,2,20,20,-9.749,1.151,0,,0.005496506,-,0.3715,-,0.3715,https://www.genome.jp/dbget-bin/www_bget?dr:D01914
4670,D07777, Deanol (BAN), Other psychostimulants and nootropics,N06BX04,NERVOUS SYSTEM,C[NH+](CCO)C,90.1442,-1.8768,26.6575,24.67,13,2,1,UEEJHVSXFDXPFK-UHFFFAOYSA-O,C4H12NO+,OCC[NH+](C)C,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3/p+1",-5.997999999999999,-4.6319,-4.627,-4.5668,-2.0467,-1.9343,1.4592,1.4666,1.5723,1.5879,1.5975,D07777_N06BX04,0002000000000000000004000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000008000800000000000000000000000000000000400000200000000000000000000000000000000000000000008000000000040000000000000000000000000000,0100001c00e000,001840020400000000000000000000000000000000000000000000000000000000000000c02200,00000000000021000002325088502c020c065cb509,0,0,17,0,0,2,18,17,-15.565999999999999,-4.444,0,0.0,,-,0.6941,-,0.6941,https://www.genome.jp/dbget-bin/www_bget?dr:D07777
4671,D07778, Deanol aceglumate (INN), Other psychostimulants and nootropics,N06BX04,NERVOUS SYSTEM,OC(=O)CC[C@@H](C(=O)O)NC(=O)C,189.166,-0.1686,42.3083,103.7,15,3,6,RFMMMVDNIPUKGG-YFKPBYRVSA-N,C7H11NO5,OC(=O)CCC(C(=O)O)NC(=O)C,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1",-4.6039,-4.5436,-4.4349,-4.4123,-4.3658,-3.8371,2.3571,2.3629,2.3904,2.416,2.5624,D07778_N06BX04,000a8000004000200100040000000000000000100000000000000000000000001800000000000003000e0410000000000102000000004000000000000000001008000800000000000000000222800006003000400000200080000200000000000000002000000000000000008000180000040000000010000050000100000300,0400000c00a002,0300000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000020000000004e806830048c0c46fe09,0,0,20,3,0,6,24,23,-1.834,7.376,1,0.0,,-,1.0811,-,1.0811,https://www.genome.jp/dbget-bin/www_bget?dr:D07778
4672,D07779, Deanol acetamidobenzoate, Other psychostimulants and nootropics,N06BX04,NERVOUS SYSTEM,c1(ccc(cc1)NC(=O)C)C(=O)O,179.173,1.4162,47.714,66.4,12,2,4,QCXJEYYXVJIFCE-UHFFFAOYSA-N,C9H9NO3,CC(=O)Nc1ccc(cc1)C(=O)O,"InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",-4.3928,-4.275,-3.8073,-3.2385,-2.8787,-1.3322,0.7779,0.8,1.4773,1.9229,2.3137,D07779_N06BX04,00020000000000c00100060000800000800000000000000000000080000000000400400000200020200e0208000010400000000000000008000000020000040008000800400000000080100000800000008000400400280040080000000100000000000000000000004000000000000000060980000100000008000002400000,0400000c00b003,0100000000000000000088000a0000000001000000000000000000000000000000000240402800,00000000000000000000000800201004d40442fa1f,0,6,14,2,0,3,22,22,-4.881,3.2119999999999997,0,0.0,4.837060000000001e-07,-,0.3083,-,0.3083,https://www.genome.jp/dbget-bin/www_bget?dr:D07779
4673,D07345, Fipexide (INN), Other psychostimulants and nootropics,N06BX05,NERVOUS SYSTEM,c1c(ccc(c1)OCC(=O)N1CC[NH+](CC1)Cc1cc2c(cc1)OCO2)Cl,389.853,2.8819,110.007,52.44,27,1,5,BFUJHVVEMMWLHC-UHFFFAOYSA-O,C20H22ClN2O4+,Clc1ccc(cc1)OCC(=O)N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2,"InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2/p+1",-6.0525,-5.8565,-4.5164,-4.4876,-3.8403,-3.8361,1.8238,1.8430000000000002,1.8561,2.0214,2.3721,D07345_N06BX05,00020300000004000100060000030009010000a008003200000000c000200040088044022000001200870428000204000002020000000800000400820000001008802800011410010020002006c8800200c800400000244040080100000020000810000200000402000000008010000002060104080100200820004400a00004,0500000050f001,000042020400804000008000120000000000000000040000000000000000000000004600c02a00,0000000800000101804476ccda75b1e729ebcf7f1f,0,12,39,1,0,6,49,52,-11.245,-4.221,0,1.0,0.006646935,+,1.5295,-,1.5295,https://www.genome.jp/dbget-bin/www_bget?dr:D07345
4674,D00057, Citicoline (JP17/INN), Other psychostimulants and nootropics,N06BX06,NERVOUS SYSTEM,[C@@H]1([C@H]([C@@H](O[C@@H]1CO[P@](=O)(O[P@](=O)(OCC[N+](C)(C)C)O)O)n1ccc([nH]c1=O)N)O)O,490.34,-0.8031,104.964,235.41,38,6,13,NUXPHYMYQIRMFL-OJAKKHQRSA-O,C14H28N4O11P2+,OC1C(COP(=O)(OP(=O)(OCC[N+](C)(C)C)O)O)OC(C1O)n1ccc([nH]c1=O)N,"InChI=1S/C14H27N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,16,19-20H,6-8H2,1-3H3,(H3-,15,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1",-10.5217,-10.4834,-10.2588,-10.2123,-7.5136,-7.4655,3.0426,3.4832,4.5873,5.0206,5.0534,D00057_N06BX06,02aa0040010058811500040000020000600025100000000e02110000030401403800100880000027940c1f1420010000037200004008c0010e000a00a0000e31088e1a000000080420010203029000010080014000002002a001000100420000002000200440820000801000c4003800100e0101100550000174400110000000,0100002c30e041,022840040401000003000000000000000040040000000000000000000000200000000437c42a04,000000303084312190963cdfabf2bc6b9e7ffeff1d,0,0,60,3,0,10,62,63,-6.231,-2.575,4,0.0,9.09183e-08,-,2.3201,-,2.3201,https://www.genome.jp/dbget-bin/www_bget?dr:D00057
4675,D03528, Citicoline sodium (USAN), Other psychostimulants and nootropics,N06BX06,NERVOUS SYSTEM,[C@@H]1([C@H]([C@@H](O[C@@H]1CO[P@](=O)(O[P@](=O)(OCC[N+](C)(C)C)O)O)n1ccc([nH]c1=O)N)O)O,490.34,-0.8031,104.964,235.41,38,6,13,NUXPHYMYQIRMFL-OJAKKHQRSA-O,C14H28N4O11P2+,OC1C(COP(=O)(OP(=O)(OCC[N+](C)(C)C)O)O)OC(C1O)n1ccc([nH]c1=O)N,"InChI=1S/C14H27N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,16,19-20H,6-8H2,1-3H3,(H3-,15,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1",-10.4843,-10.4533,-10.2417,-10.2224,-7.4989,-7.4953,3.0268,3.0651,4.5685,5.0375,5.1026,D03528_N06BX06,02aa0040010058811500040000020000600025100000000e02110000030401403800100880000027940c1f1420010000037200004008c0010e000a00a0000e31088e1a000000080420010203029000010080014000002002a001000100420000002000200440820000801000c4003800100e0101100550000174400110000000,0100002c30e041,022840040401000003000000000000000040040000000000000000000000200000000437c42a04,000000303084312190963cdfabf2bc6b9e7ffeff1d,0,0,60,3,0,10,62,63,-6.185,-2.6430000000000002,4,-1.0,3.03243e-09,-,2.3201,-,2.3201,https://www.genome.jp/dbget-bin/www_bget?dr:D03528
4676,D07346, Oxiracetam (INN), Other psychostimulants and nootropics,N06BX07,NERVOUS SYSTEM,N1(CC(=O)N)C(=O)C[C@@H](C1)O,158.155,-1.2969,39.9222,83.63,15,2,5,IHLAQQPQKRMGSS-BYPYZUCNSA-N,C6H10N2O3,NC(=O)CN1CC(CC1=O)O,"InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m0/s1",-4.8013,-4.2201,-4.2091,-3.9204,-3.8219,-3.8047,1.9353,1.9780000000000002,2.1142,2.3311,2.7253,D07346_N06BX07,0002800000400020010004000000000800000010000000000000000001000000180000028100000300060030000000000102000000008000000000000000001008000800000010800200000002800016003000400000200080000000000000000000002000000000100000008000000000040000000010000070000000000200,0400002c00a001,022800000000000000008000260000000000000000000000000000000000000000000400402805,000000000000000000443ccd896010c38d67ea7f19,0,0,19,2,0,2,21,21,-9.892999999999999,1.121,1,1.0,0.002595055,-,0.8725,-,0.8725,https://www.genome.jp/dbget-bin/www_bget?dr:D07346
4677,D07347, Pirisudanol (INN), Other psychostimulants and nootropics,N06BX08,NERVOUS SYSTEM,c1(c(c(c(cn1)COC(=O)CCC(=O)OCC[NH+](C)C)CO)O)C,341.38,-0.9009999999999999,87.4995,110.39,32,3,7,KTOAWCPDBUCJED-UHFFFAOYSA-O,C16H25N2O6+,OCc1c(COC(=O)CCC(=O)OCC[NH+](C)C)cnc(c1O)C,"InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3/p+1",-6.0431,-4.613,-4.602,-4.5517,-4.421,-4.3949,1.5806,1.5878,1.6459,1.6919,1.841,D07347_N06BX08,20020002000000c00000060007024004000000004000080800a80080002404101400400000008033408a000820000040010002400000611004010002000006000c300c0a0810020000802100048800840098004004002000d800000000014010000820000000100004c00000b010240010070590004300600808004802000400,0500001c32f005,031840020400000000009000000000000000000000019000000000000000000000000600c03a01,0000000000001100010232578b582de78dfffeff1f,0,6,41,2,0,11,49,49,-10.933,-4.497,0,0.0,0.000647923,-,0.7043,-,0.7043,https://www.genome.jp/dbget-bin/www_bget?dr:D07347
4678,D08390, Pirisudanol dimaleate, Other psychostimulants and nootropics,N06BX08,NERVOUS SYSTEM,c1(c(c(c(cn1)COC(=O)CCC(=O)OCC[NH+](C)C)CO)O)C,341.38,-0.9009999999999999,87.4995,110.39,32,3,7,KTOAWCPDBUCJED-UHFFFAOYSA-O,C16H25N2O6+,OCc1c(COC(=O)CCC(=O)OCC[NH+](C)C)cnc(c1O)C,"InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3/p+1",-6.0334,-4.6211,-4.615,-4.5664,-4.4836,-4.3834,1.5927,1.5936,1.6263,1.6853,1.8662,D08390_N06BX08,20020002000000c00000060007024004000000004000080800a80080002404101400400000008033408a000820000040010002400000611004010002000006000c300c0a0810020000802100048800840098004004002000d800000000014010000820000000100004c00000b010240010070590004300600808004802000400,0500001c32f005,031840020400000000009000000000000000000000019000000000000000000000000600c03a01,0000000000001100010232578b582de78dfffeff1f,0,6,41,2,0,11,49,49,-10.932,-4.498,0,0.0,0.0006479880000000001,-,0.7043,-,0.7043,https://www.genome.jp/dbget-bin/www_bget?dr:D08390
4679,D04741, Linopirdine (USAN/INN), Other psychostimulants and nootropics,N06BX09,NERVOUS SYSTEM,c1ccc2c(c1)C(C(=O)N2c1ccccc1)(Cc1ccncc1)Cc1ccncc1,391.464,4.9431,120.935,46.09,25,0,3,YEJCDKJIEMIWRQ-UHFFFAOYSA-N,C26H21N3O,O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2,"InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2",-3.8412,-1.7082,-1.0594,-1.0592,-1.0589,-1.0588,0.5539999999999999,0.5542,0.8989,0.9205,1.0181,D04741_N06BX09,20070020802000000b002600008000048010001018000002000200800028000011004081002080200086301800051040010000000a00200800000002008004000400060040010240000030000088008d0090004024003808c008080000280000400000001000000000200000000004200006014002411000000a000102400000,04000000003001,0a0000000000000000008000200000000000000000009000000000000000000000004600403000,00000000000000200304148812a1904350e1292e1f,0,24,30,1,0,5,51,55,-9.292,-0.1,0,0.0,0.937624395,+,1.8619999999999999,-,1.8619999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D04741
4680,D08280, Nizofenone (INN), Other psychostimulants and nootropics,N06BX10,NERVOUS SYSTEM,C([NH+](CC)CC)c1n(c2c(C(=O)c3c(cccc3)Cl)cc(cc2)[N](=O)O)ccn1,414.885,3.5042,114.038,88.99,27,2,3,GSYUGVLLMALTBW-UHFFFAOYSA-O,C21H23ClN4O3+,CC[NH+](Cc1nccn1c1ccc(cc1C(=O)c1ccccc1Cl)[N](=O)O)CC,"InChI=1S/C21H22ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3,(H,28,29)/p+1",-6.0955,-6.0364,-5.297999999999999,-4.5762,-4.5755,-4.3047,1.92,1.9882,2.0571,2.1512,2.3429,D08280_N06BX10,000612a4000004c40208460084004086a020004000840000400210e000201400140540814000002100830318010402c00000020000004000030000030800000894010c10400116200002000086980102308880400c80210d601828000001401405300001009000000000190060000000000e0110011d0000101880000a800008,1500000000f001,010040020400010000000000000000004007000000049800000000000000000000000640c02a00,0000800020008160715476a06944ca0bf6a7fbef1f,0,17,35,2,0,8,52,54,-12.298,-4.558,0,1.0,0.365116715,+,1.0784,-,1.0784,https://www.genome.jp/dbget-bin/www_bget?dr:D08280
4681,D01465, Nizofenone fumarate (JAN), Other psychostimulants and nootropics,N06BX10,NERVOUS SYSTEM,C([NH+](CC)CC)c1n(c2c(C(=O)c3c(cccc3)Cl)cc(cc2)[N](=O)O)ccn1,414.885,3.5042,114.038,88.99,27,2,3,GSYUGVLLMALTBW-UHFFFAOYSA-O,C21H23ClN4O3+,CC[NH+](Cc1nccn1c1ccc(cc1C(=O)c1ccccc1Cl)[N](=O)O)CC,"InChI=1S/C21H22ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3,(H,28,29)/p+1",-6.1339999999999995,-6.0274,-5.3036,-4.5826,-4.5728,-4.3106,1.9322,1.9453,2.0557,2.1793,2.3569999999999998,D01465_N06BX10,000612a4000004c40208460084004086a020004000840000400210e000201400140540814000002100830318010402c00000020000004000030000030800000894010c10400116200002000086980102308880400c80210d601828000001401405300001009000000000190060000000000e0110011d0000101880000a800008,1500000000f001,010040020400010000000000000000004007000000049800000000000000000000000640c02a00,0000800020008160715476a06944ca0bf6a7fbef1f,0,17,35,2,0,8,52,54,-12.296,-4.56,0,,0.36499723799999995,+,1.0784,-,1.0784,https://www.genome.jp/dbget-bin/www_bget?dr:D01465
4682,D01883, Aniracetam (JAN/USAN/INN), Other psychostimulants and nootropics,N06BX11,NERVOUS SYSTEM,c1c(ccc(c1)C(=O)N1CCCC1=O)OC,219.237,1.3957,62.4465,46.61,17,0,4,ZXNRTKGTQJPIJK-UHFFFAOYSA-N,C12H13NO3,COc1ccc(cc1)C(=O)N1CCCC1=O,"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3",-3.8115,-3.6214,-2.444,-2.3473,-1.4473,-1.2952,0.9638,1.0569,1.0981,1.4503,1.4989,D01883_N06BX11,00028000000004a001000600000300000000009000002200000000c0000000001c00400000000000008606180000028001020200000000000000000200000000080000000104000100000000028800040090004000002000c0080000000000000010002200000402100000000010000000060100090110200818800000000200,0400000050b001,020002000000000000008000400000000001000000000000000000000000000000000640402801,000000000000000000041499086031638941aefb1f,0,6,22,2,0,3,29,30,-9.725,-0.2,0,0.0,0.037278205,+,0.3967,-,0.3967,https://www.genome.jp/dbget-bin/www_bget?dr:D01883
4683,D01750, Idebenone (JAN/INN), Other psychostimulants and nootropics,N06BX13,NERVOUS SYSTEM,C1(=C(C(=O)C(=C(C1=O)C)CCCCCCCCCCO)OC)OC,338.439,3.4623,94.1168,72.83,35,1,5,JGPMMRGNQUBGND-UHFFFAOYSA-N,C19H30O5,OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC,"InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3",-3.6802,-3.6769,-1.9336,-1.1985,-1.1863,-1.1123,0.8356,0.8963,0.9774,0.9806,1.0002,D01750_N06BX13,00000000000002241000000000420100000000804050400000000080000060001008000000a000018002000001000000018002000020650000000080000080000804080004040002000080000880028400d000400002000840001000000000010204000280020000000000000000080000010900000800000000000102000100,1400001c30a001,131800000000010000020000000000004001000000000000000000000000000000000040407000,000000000000020080080217841828e0895cb6d71c,0,0,50,4,0,12,54,54,-9.808,-1.62,0,,0.40561708799999996,-,2.0982,-,2.0982,https://www.genome.jp/dbget-bin/www_bget?dr:D01750
4684,D05623, Prolintane hydrochloride (USAN), Other psychostimulants and nootropics,N06BX14,NERVOUS SYSTEM,c1cccc(c1)C[C@@H](CCC)[NH+]1CCCC1,218.358,3.6457,75.5237,4.44,24,1,0,OJCPSBCUMRIPFL-OAHLLOKOSA-O,C15H24N+,CCCC([NH+]1CCCC1)Cc1ccccc1,"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3/p+1/t15-/m1/s1",-6.0191,-4.5775,-4.5556,-4.4957,-0.7778,-0.5555,1.3929,1.3956,1.4874,1.5847,1.5899,D05623_N06BX14,00260000000000000200060002000004000000100000000000000080000000001000408100000000000020180001000001020000002000000000000200000000000000000000000000002000020000000080004000003008c0080800800800000000002000000000100000000000000000060100020110000000000100000000,0100000000f001,030040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000436868848268301034cad17,0,6,35,0,0,5,40,41,-13.017000000000001,-3.647,1,0.0,0.011674085,+,0.8525,+,0.8525,https://www.genome.jp/dbget-bin/www_bget?dr:D05623
4685,D01876, Pipradrol hydrochloride (JAN), Other psychostimulants and nootropics,N06BX15,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H]1[NH2+]CCCC1)O,268.373,3.6076,86.5402,36.84,23,2,1,XSWHNYGMWWVAIE-QGZVFWFLSA-O,C18H22NO+,OC(c1ccccc1)(c1ccccc1)C1CCCC[NH2+]1,"InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2/p+1/t17-/m1/s1",-5.7013,-5.6769,-4.4223,-4.2738,-3.8352,-2.9112,1.5671,1.5766,1.6627,1.7951,2.5789999999999997,D01876_N06BX15,002600000000024002000600820000040000005000000000000000a000000000100040810000000330002018000100000102000000204000000000020000001008000800000008000000a000020000000080015000003008c0080800800900000000002100000000004000008000080000060100020110000000000100000000,0100004c00f001,024840010400000000000000000000000000000000000000000000000000000000000600c02204,000000000000210002000a468ac020810505c5391f,0,12,32,0,0,3,42,44,-12.795,-3.661,1,,,-,0.775,-,0.775,https://www.genome.jp/dbget-bin/www_bget?dr:D01876
4686,D08405, Pramiracetam (INN), Other psychostimulants and nootropics,N06BX16,NERVOUS SYSTEM,N1(CC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)CCC1,270.39099999999996,-0.2445,81.4644,53.85,32,2,4,ZULJGOSFKWFVRX-UHFFFAOYSA-O,C14H28N3O2+,O=C(CN1CCCC1=O)NCC[NH+](C(C)C)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)/p+1",-5.9661,-4.5128,-4.4703,-4.4576,-4.3545,-3.9346,1.9103,2.3348,2.4151,2.6439,2.9037,D08405_N06BX16,0002800000400020010004000000000800000010000000000000000000000000180000020300000000060030000000000102000000000000000000000000000000000000000000800020000002800006003000400000200080000000000000000800002000000000100000000000000000040004000010000030000000000200,0500000000e001,0300400204000000000080002a0000000000000000000000000000000000000000000400c02a01,0000000000002100004636cc886838c38d737cef19,0,0,45,2,0,8,47,47,-11.743,-4.208,0,-1.0,0.001283499,-,0.4774,-,0.4774,https://www.genome.jp/dbget-bin/www_bget?dr:D08405
4687,D05592, Pramiracetam hydrochloride (USAN), Other psychostimulants and nootropics,N06BX16,NERVOUS SYSTEM,N1(CC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)CCC1,270.39099999999996,-0.2445,81.4644,53.85,32,2,4,ZULJGOSFKWFVRX-UHFFFAOYSA-O,C14H28N3O2+,O=C(CN1CCCC1=O)NCC[NH+](C(C)C)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)/p+1",-5.9642,-4.553999999999999,-4.5206,-4.5123,-4.3752,-3.8771,2.3229,2.3414,2.4497,2.6444,2.9356,D05592_N06BX16,0002800000400020010004000000000800000010000000000000000000000000180000020300000000060030000000000102000000000000000000000000000000000000000000800020000002800006003000400000200080000000000000000800002000000000100000000000000000040004000010000030000000000200,0500000000e001,0300400204000000000080002a0000000000000000000000000000000000000000000400c02a01,0000000000002100004636cc886838c38d737cef19,0,0,45,2,0,8,47,47,-11.741,-4.199,0,1.0,0.001284638,-,0.4774,-,0.4774,https://www.genome.jp/dbget-bin/www_bget?dr:D05592
4688,D05593, Pramiracetam sulfate (USAN), Other psychostimulants and nootropics,N06BX16,NERVOUS SYSTEM,N1(CC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)CCC1,270.39099999999996,-0.2445,81.4644,53.85,32,2,4,ZULJGOSFKWFVRX-UHFFFAOYSA-O,C14H28N3O2+,O=C(CN1CCCC1=O)NCC[NH+](C(C)C)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)/p+1",-6.0367,-4.5067,-4.4886,-4.4658,-4.3019,-3.8779,1.7933,1.9062,1.9687,2.3331,2.5744,D05593_N06BX16,0002800000400020010004000000000800000010000000000000000000000000180000020300000000060030000000000102000000000000000000000000000000000000000000800020000002800006003000400000200080000000000000000800002000000000100000000000000000040004000010000030000000000200,0500000000e001,0300400204000000000080002a0000000000000000000000000000000000000000000400c02a01,0000000000002100004636cc886838c38d737cef19,0,0,45,2,0,8,47,47,-11.742,-4.207,0,1.0,0.0012822880000000001,-,0.4774,-,0.4774,https://www.genome.jp/dbget-bin/www_bget?dr:D05593
4689,D07348, Adrafinil (INN), Other psychostimulants and nootropics,N06BX17,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)[S@@](=O)CC(=O)NO,289.35,3.2867,77.5177,85.61,19,2,4,CGNMLOKEMNBUAI-FQEVSTJZSA-N,C15H15NO3S,ONC(=O)CS(=O)C(c1ccccc1)c1ccccc1,"InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m0/s1",-3.7894,-2.3452,-2.0546,-1.6164,-1.5135,-1.2895,1.3564,1.3780000000000001,1.4201,1.4521,1.4644,D07348_N06BX17,200401020000000006000600800000004008004000000000000000a000000400100048000002000002060008000000000110000000000000000100020800000410000000000000800000044000900000008000400008000844480808000008000000000104000000000000010000010000061100082500603000004402000000,0400000000b101,000000000000000000008000002000000000000000000000000100000000000000000200402805,0000800000000418dc01812ba16010088e044b6f1f,0,12,22,2,0,6,35,36,-9.4,-0.13699999999999998,0,0.0,0.023823071,-,0.4458,-,0.4458,https://www.genome.jp/dbget-bin/www_bget?dr:D07348
4690,D01371, Vinpocetine (JAN/USAN/INN), Other psychostimulants and nootropics,N06BX18,NERVOUS SYSTEM,c12c(cccc1)c1c3n2C(=C[C@]2([C@@H]3[N@H+](CC1)CCC2)CC)C(=O)OCC,351.462,4.3004,108.78399999999999,35.67,29,1,3,DDNCQMVWWZOMLN-IRLDBZIGSA-O,C22H27N2O2+,CCOC(=O)C1=CC2(CC)CCC[NH+]3C2c2n1c1ccccc1c2CC3,"InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/p+1/t20-,22+/m1/s1",-6.1877,-6.0338,-4.75,-4.6511,-4.5187,-3.2086,1.5733,1.5802,1.9298,1.9673,1.9694,D01371_N06BX18,306601600002062442048640860700049000049000464008010400c000341d001604549501c08022988a2118010112400102020018242120660180c6000222300c410c0660140310008068008299021000a0815104803148ca081b11800840110135003a802108030248300260500600d88e1dd11211100000c800091a204004,0500000030f005,0b0040020400000000009000000000000001000000008800000000000000000000004640c06204,0000000000100100034836c69ed9aaa701a35dff1f,0,10,45,2,0,4,53,57,-11.460999999999999,-3.852,3,0.0,0.026926205,+,1.6414,-,1.6414,https://www.genome.jp/dbget-bin/www_bget?dr:D01371
4691,D08555, Tacrine (INN), Anticholinesterases,N06DA01,NERVOUS SYSTEM,c12c(c(c3c(n1)CCCC3)N)cccc2,198.264,3.2769999999999997,63.5794,38.91,16,1,2,YLJREFDVOIBQDA-UHFFFAOYSA-N,C13H14N2,Nc1c2CCCCc2nc2c1cccc2,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",-5.1136,-5.1094,-2.0681,-1.0991,-1.0774,-0.9138,0.5298,0.5738,0.6594,0.7613,1.3825,D08555_N06DA01,4004002000000400020086000600400080000000408000080100008000000400100040800040802008800008000110400100000008242000040000060002000004000402400002000008600000080000008080400480100840080800000840100100000000a0000100000000201104001002811002410000004000010a000000,0000000000b021,020040080000000000000000000000000000000000009000000000000000000000004600401000,0000000000000000018008061241208151a1452817,0,11,20,0,0,0,29,31,-8.401,-0.192,0,0.0,0.333824128,+,0.7753,-,0.7753,https://www.genome.jp/dbget-bin/www_bget?dr:D08555
4692,D02068, Tacrine hydrochloride (USP), Anticholinesterases,N06DA01,NERVOUS SYSTEM,c12c(c(c3c(n1)CCCC3)N)cccc2,198.264,3.2769999999999997,63.5794,38.91,16,1,2,YLJREFDVOIBQDA-UHFFFAOYSA-N,C13H14N2,Nc1c2CCCCc2nc2c1cccc2,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",-5.1136,-5.1094,-2.0681,-1.0991,-1.0774,-0.9138,0.5298,0.5738,0.6594,0.7613,1.3825,D02068_N06DA01,4004002000000400020086000600400080000000408000080100008000000400100040800040802008800008000110400100000008242000040000060002000004000402400002000008600000080000008080400480100840080800000840100100000000a0000100000000201104001002811002410000004000010a000000,0000000000b021,020040080000000000000000000000000000000000009000000000000000000000004600401000,0000000000000000018008061241208151a1452817,0,11,20,0,0,0,29,31,-8.4,-0.195,0,-1.0,0.33383369399999996,+,0.7753,-,0.7753,https://www.genome.jp/dbget-bin/www_bget?dr:D02068
4693,D07869, Donepezil (INN), Anticholinesterases,N06DA02,NERVOUS SYSTEM,c1(c(cc2c(c1)C[C@@H](C2=O)C[C@H]1CC[N@H+](CC1)Cc1ccccc1)OC)OC,380.5,4.5132,116.26799999999999,39.97,33,1,3,ADEBPBSSDYVVLD-FQEVSTJZSA-O,C24H30NO3+,COc1cc2c(cc1OC)CC(C2=O)CC1CC[NH+](CC1)Cc1ccccc1,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/p+1/t20-/m0/s1",-6.0449,-5.8685,-4.6215,-4.6085,-2.8485,-1.0281,1.4853,1.587,1.5968,1.8278,1.8443,D07869_N06DA02,00060000000006a00a000600020300000000009000001200010000c00008000014005000004000005082021800014000010202000820080000000002000000000880022021440001001020200ac800040090015000003008c00808000008000000100022000004020080004000100000000601000b0110200808004300000100,1500000050f001,060042020400010000000000000000000001000000000000000000000000000000004640c03a05,0000000000000100800432949a4121e301c3fff71f,0,12,48,1,0,6,58,61,-10.92,-3.733,1,-2.0,0.219709113,+,1.3796,-,1.3796,https://www.genome.jp/dbget-bin/www_bget?dr:D07869
4694,D00670, Donepezil hydrochloride (JP17/USAN), Anticholinesterases,N06DA02,NERVOUS SYSTEM,c1(c(cc2c(c1)C[C@@H](C2=O)C[C@H]1CC[N@H+](CC1)Cc1ccccc1)OC)OC,380.5,4.5132,116.26799999999999,39.97,33,1,3,ADEBPBSSDYVVLD-FQEVSTJZSA-O,C24H30NO3+,COc1cc2c(cc1OC)CC(C2=O)CC1CC[NH+](CC1)Cc1ccccc1,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/p+1/t20-/m0/s1",-6.0439,-5.8786,-4.6179,-4.5971,-2.8746,-1.0278,1.4734,1.5896,1.6021,1.8284,1.8386,D00670_N06DA02,00060000000006a00a000600020300000000009000001200010000c00008000014005000004000005082021800014000010202000820080000000002000000000880022021440001001020200ac800040090015000003008c00808000008000000100022000004020080004000100000000601000b0110200808004300000100,1500000050f001,060042020400010000000000000000000001000000000000000000000000000000004640c03a05,0000000000000100800432949a4121e301c3fff71f,0,12,48,1,0,6,58,61,-10.922,-3.7319999999999998,1,-1.0,0.20898918800000002,+,1.3796,-,1.3796,https://www.genome.jp/dbget-bin/www_bget?dr:D00670
4695,D03822, Rivastigmine (JAN/USAN/INN), Anticholinesterases,N06DA03,NERVOUS SYSTEM,c1(cc(ccc1)[C@@H]([NH+](C)C)C)OC(=O)N(C)CC,251.345,1.3426,74.3807,33.98,26,1,3,XSVMFMHYUFZWBK-NSHDSACASA-O,C14H23N2O2+,CCN(C(=O)Oc1cccc(c1)C([NH+](C)C)C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/p+1/t11-/m0/s1",-6.0545,-5.821000000000001,-5.3405,-5.2311,-4.6124,-4.5761,1.5904,1.5997,1.8332,1.8454,2.0238,D03822_N06DA03,000600100000048003000600000300000000008000000000220001800000000018a0440000000010108c00080000000000020200000008000000000200000200080012000100010100000020028a0000008000400000200840080800000200040010000200000002000000000010000000060100080100600800004600000000,0100000050f001,010040020400000000000000000000000040000100000000000000000000000000000200c02204,000040000000010000023010082217660070d8ff1f,0,6,34,1,0,6,41,41,-11.932,-3.9619999999999997,1,0.0,3.3325100000000004e-05,+,0.2097,-,0.2097,https://www.genome.jp/dbget-bin/www_bget?dr:D03822
4696,D02558, Rivastigmine tartrate, Anticholinesterases,N06DA03,NERVOUS SYSTEM,c1(cc(ccc1)[C@@H]([NH+](C)C)C)OC(=O)N(C)CC,251.345,1.3426,74.3807,33.98,26,1,3,XSVMFMHYUFZWBK-NSHDSACASA-O,C14H23N2O2+,CCN(C(=O)Oc1cccc(c1)C([NH+](C)C)C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/p+1/t11-/m0/s1",-6.0501,-5.8167,-5.3527,-5.2231,-4.6136,-4.5732,1.5882,1.5917,1.8397,1.8421,2.0182,D02558_N06DA03,000600100000048003000600000300000000008000000000220001800000000018a0440000000010108c00080000000000020200000008000000000200000200080012000100010100000020028a0000008000400000200840080800000200040010000200000002000000000010000000060100080100600800004600000000,0100000050f001,010040020400000000000000000000000040000100000000000000000000000000000200c02204,000040000000010000023010082217660070d8ff1f,0,6,34,1,0,6,41,41,-11.93,-3.96,1,0.0,3.33117e-05,+,0.2097,-,0.2097,https://www.genome.jp/dbget-bin/www_bget?dr:D02558
4697,D04292, Galantamine (USAN/INN), Anticholinesterases,N06DA04,NERVOUS SYSTEM,c12C[N@H+](CC[C@]34c1c(c(cc2)OC)O[C@H]3C[C@H](C=C4)O)C,288.361,2.0024,85.0095,43.13,25,2,3,ASUTZQLVASHGKV-JDFRZJQESA-O,C17H22NO3+,COc1ccc2c3c1OC1C3(CC[NH+](C2)C)C=CC(C1)O,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/p+1/t12-,14-,17-/m0/s1",-6.0382,-5.8981,-4.6128,-4.5911,-2.8844,-1.2038,1.5727,1.5905,1.6196,1.8441,1.8811,D04292_N06DA04,400e0000000006240ac88600020300040000009000426200094400c0801020001084540200e00001108000180001020001aa020010206805208010220040000818a00c02250404118000a020824882004080014000033008c8189801000804904216002a01000402000080c241101800020721900a091020080600c708100004,0100002c50f001,1a2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000040000000101820436919cc1ade30dc7dff11f,0,6,39,1,0,1,43,46,-11.985999999999999,-3.733,4,2.0,0.0016395479999999998,+,1.0342,-,1.0342,https://www.genome.jp/dbget-bin/www_bget?dr:D04292
4698,D02173, Galantamine hydrobromide (JAN/USAN), Anticholinesterases,N06DA04,NERVOUS SYSTEM,c12C[N@H+](CC[C@]34c1c(c(cc2)OC)O[C@H]3C[C@H](C=C4)O)C,288.361,2.0024,85.0095,43.13,25,2,3,ASUTZQLVASHGKV-JDFRZJQESA-O,C17H22NO3+,COc1ccc2c3c1OC1C3(CC[NH+](C2)C)C=CC(C1)O,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/p+1/t12-,14-,17-/m0/s1",-6.0382,-5.8984,-4.6127,-4.5909,-2.8845,-1.2038,1.5727,1.5906,1.6192,1.8441,1.8812,D02173_N06DA04,400e0000000006240ac88600020300040000009000426200094400c0801020001084540200e00001108000180001020001aa020010206805208010220040000818a00c02250404118000a020824882004080014000033008c8189801000804904216002a01000402000080c241101800020721900a091020080600c708100004,0100002c50f001,1a2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000040000000101820436919cc1ade30dc7dff11f,0,6,39,1,0,1,43,46,-11.984000000000002,-3.736,4,,0.001640275,+,1.0342,-,1.0342,https://www.genome.jp/dbget-bin/www_bget?dr:D02173
4699,D09750, Ipidacrine hydrochloride hydrate (JAN), Anticholinesterases,N06DA05,NERVOUS SYSTEM,C1CCc2c(C1)c(c1c(n2)CCC1)N,188.269,2.6125,58.6984,38.91,18,1,2,YLUSMKAJIQOXPV-UHFFFAOYSA-N,C12H16N2,Nc1c2CCCCc2nc2c1CCC2,"InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)",-5.1106,-5.1077,-1.1109,-1.0954,-0.9236,-0.7515,0.5247,0.5297,0.7566,0.7696,1.3742,D09750_N06DA05,400400208000000002008600060048008010800040800008010000800000040010004000004080210080000800011044010000000824200004000006008200000c000c02000002000018200080080000000880400480100850000800000940100100000010a0001100000000211104001002801002410000004000010a000000,0000000000b021,020040080000000000000000000000000000000000009000000000000000000000004600401000,0000000000000000018008861241208151a1452817,0,6,26,0,0,0,30,32,-8.861,0.61,0,1.0,0.278746128,+,0.9642,-,0.9642,https://www.genome.jp/dbget-bin/www_bget?dr:D09750
4700,D08174, Memantine (INN), Other anti-dementia drugs,N06DX01,NERVOUS SYSTEM,C1[C@]2(C[C@]3(C[C@]1([NH3+])C[C@@H](C2)C3)C)C,180.31,1.9773,56.9391,27.64,22,1,0,BUGYDGFZZOZRHP-CDECOKDKSA-O,C12H22N+,CC12CC3CC(C1)(C)CC(C2)(C3)[NH3+],"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/p+1/t9-,10+,11-,12-",-5.3732,-5.3731,-5.3676,-4.1577,0.0,0.0,1.5545,1.5545,1.5546,1.7602,1.7604,D08174_N06DX01,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0f00c0000400000000000000000000000000000000000000000000000000000000008000c00204,00000000000001000200000490c90480100051a815,0,0,37,0,0,0,35,37,-14.1,-3.844,3,1.0,2.02399e-05,+,1.4557,-,1.4557,https://www.genome.jp/dbget-bin/www_bget?dr:D08174
4701,D04905, Memantine hydrochloride (JAN/USAN), Other anti-dementia drugs,N06DX01,NERVOUS SYSTEM,C1[C@]2(C[C@]3(C[C@]1([NH3+])C[C@@H](C2)C3)C)C,180.31,1.9773,56.9391,27.64,22,1,0,BUGYDGFZZOZRHP-CDECOKDKSA-O,C12H22N+,CC12CC3CC(C1)(C)CC(C2)(C3)[NH3+],"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/p+1/t9-,10+,11-,12-",-5.3732,-5.3731,-5.3676,-4.1577,0.0,0.0,1.5545,1.5545,1.5546,1.7602,1.7604,D04905_N06DX01,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200002000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e001,0f00c0000400000000000000000000000000000000000000000000000000000000008000c00204,00000000000001000200000490c90480100051a815,0,0,37,0,0,0,35,37,-14.103,-3.844,3,0.0,2.02292e-05,+,1.4557,-,1.4557,https://www.genome.jp/dbget-bin/www_bget?dr:D04905
4702,D08261, Neostigmine (BAN), Anticholinesterases,N07AA01,NERVOUS SYSTEM,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.3723,-5.1914,-4.1589,-4.1469,-4.1292,-3.0143,1.3791,1.4521,1.4703,1.4767,1.5290000000000001,D08261_N07AA01,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.215,-3.9819999999999998,0,0.0,0.0004942109999999999,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D08261
4703,D08261, Neostigmine (BAN), Parasympathomimetics,S01EB06,SENSORY ORGANS,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.3649,-5.1919,-4.1524,-4.1458,-4.1342,-3.0101,1.3704,1.4525,1.4682,1.4783,1.4906,D08261_S01EB06,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.215,-3.9819999999999998,0,0.0,0.0004942109999999999,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D08261
4704,D00995, Neostigmine bromide (JAN/USP/INN), Anticholinesterases,N07AA01,NERVOUS SYSTEM,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.3617,-5.1859,-4.1488,-4.1452,-4.1375,-3.0052,1.3777,1.4544,1.4674,1.4677,1.4787,D00995_N07AA01,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.214,-3.9819999999999998,0,0.0,0.000494183,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00995
4705,D00995, Neostigmine bromide (JAN/USP/INN), Parasympathomimetics,S01EB06,SENSORY ORGANS,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.3622,-5.1901,-4.1499,-4.1432,-4.1399,-3.0039,1.3813,1.454,1.4709999999999999,1.4714,1.4778,D00995_S01EB06,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.214,-3.9819999999999998,0,0.0,0.000494183,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00995
4706,D00998, Neostigmine methylsulfate (JP17/USP), Anticholinesterases,N07AA01,NERVOUS SYSTEM,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.3702,-5.2418,-4.1547,-4.1531,-4.1271,-3.0045,1.3862,1.4525,1.4729,1.4744,1.4783,D00998_N07AA01,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.216,-3.9810000000000003,0,0.0,0.000494954,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00998
4707,D00998, Neostigmine methylsulfate (JP17/USP), Parasympathomimetics,S01EB06,SENSORY ORGANS,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C,223.291,1.9437,65.419,29.54,22,0,3,ALWKGYPQUAPLQC-UHFFFAOYSA-N,C12H19N2O2+,O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",-5.364,-5.1946,-4.1521,-4.1488,-4.1312,-3.0093,1.3743,1.4488,1.4748,1.4755,1.5168,D00998_S01EB06,00000210000000000100060000820000800000000000000002000100000000000020000000000030100c0008000000400026020000000008000000000000060008001000410001010000000802840000008000000400200040080000000200040000000000000002000000080010000000020000080000600800008002000000,0000000050b021,000000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301001a21166507098fa1f,0,6,28,1,0,4,35,35,-12.216,-3.9810000000000003,0,0.0,0.000494954,-,0.2745,-,0.2745,https://www.genome.jp/dbget-bin/www_bget?dr:D00998
4708,D00487, Pyridostigmine bromide (JP17/USP/INN), Anticholinesterases,N07AA02,NERVOUS SYSTEM,c1(OC(=O)N(C)C)cn(ccc1)C,181.21200000000002,1.3666,49.692,34.47,16,0,3,KQEIZFCEBFEYFJ-UHFFFAOYSA-N,C9H13N2O2,Cn1cccc(c1)OC(=O)N(C)C,"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3",-5.3523,-5.1989,-3.5672,-2.3819,-2.1559,-2.146,1.5481,1.5824,1.6348,1.6804,1.7989,D00487_N07AA02,000a0000000000000300040000020000010000100002000002100800000000001000100000000013100c0010000000000102000000084000000000000000061008001800001008000003000002800000008001500020200080000000000200000000008000000000000000008000100000070100000310000000400100000000,0000000030a001,020040020000000000000000000000000040000100000000000000000000000000000400402004,0000400000000000000630500a6a3ce709739cfb1d,0,0,30,1,0,3,31,31,-12.850999999999999,-5.609,0,0.0,5.22507e-05,-,0.1736,-,0.1736,https://www.genome.jp/dbget-bin/www_bget?dr:D00487
4709,D01228, Distigmine bromide (JP17/INN), Anticholinesterases,N07AA03,NERVOUS SYSTEM,c1(cn(ccc1)C)OC(=O)N(CCCCCCN(C(=O)Oc1cn(ccc1)C)C)C,416.514,4.0476,116.49799999999999,68.94,38,0,6,BVELXXJWVWAHSD-UHFFFAOYSA-N,C22H32N4O4,Cn1cccc(c1)OC(=O)N(CCCCCCN(C(=O)Oc1cccn(c1)C)C)C,"InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3",-5.3563,-5.3274,-5.2494,-5.2216,-3.5441,-3.5303,1.6655,1.6675,1.7799,1.7944,2.3489,D01228_N07AA03,000a0000000000800300040000020000010020100002000002100800000000001800100000000013500c0410000000000102000000284000000008000000061008001a00001008000003000002800000008001500020200080000000000200000000008000000000008000008000100000070100000310000010400100000000,0000000030a001,020040020000000000000000000000000040000100000000000000000000000000000400402004,0000400000000000000430500a6abce7897b9fff1d,0,0,71,2,0,13,72,73,-13.854000000000001,-6.443,0,,0.000358346,+,1.4114,-,1.4114,https://www.genome.jp/dbget-bin/www_bget?dr:D01228
4710,D01001, Ambenonium chloride (JP17/INN), Anticholinesterases,N07AA30,NERVOUS SYSTEM,[N+](Cc1c(cccc1)Cl)(CCNC(=O)C(=O)NCC[N+](Cc1c(cccc1)Cl)(CC)CC)(CC)CC,537.565,5.421,148.77200000000002,58.2,46,2,4,OMHBPUNFVFNHJK-UHFFFAOYSA-P,C28H42Cl2N4O2++,CC[N+](Cc1ccccc1Cl)(CCNC(=O)C(=O)NCC[N+](Cc1ccccc1Cl)(CC)CC)CC,"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2",-5.9403,-5.9308,-4.7592,-4.7453,-4.7323,-4.7074,2.2047,2.571,2.5965,2.6563,2.6879,D01001_N07AA30,000202000040040801000600000100080001008000000000000200c00020000008004002020000000087002800080000000000000000000000000002000000000000000000040000012000000688000200a800400000200040080100000000040810000200000000000000000000000000060104000100000020000000800000,0500000000f001,0100400404000000000080000a0000400000000000040000000000000000000000000240c02a00,00000020000021008040724cc8ec3a02a5b27def1f,0,12,65,2,0,17,78,79,-14.38,-5.485,0,,0.18282659399999998,+,1.9416,-,1.9416,https://www.genome.jp/dbget-bin/www_bget?dr:D01001
4711,D00524, Carbachol (JAN/USP/INN), Choline esters,N07AB01,NERVOUS SYSTEM,[N+](CCOC(=O)N)(C)(C)C,147.195,0.4882,37.7118,52.32,18,1,3,VPJXQGSRWJZDOB-UHFFFAOYSA-O,C6H15N2O2+,NC(=O)OCC[N+](C)(C)C,"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1",-6.6617,-5.2674,-4.8176,-4.8066,-4.7802,-4.7091,1.985,2.0308,2.0563,2.2349,2.3372,D00524_N07AB01,00020000000000000000040000020000000000000000000002000800000000000000000000000012000c0000000000000000000000000000000000000000060008001800001000000002000000800000008000400000200000000000000000000000000000000000000000008000000000060000000200000000400000000000,0100000030e000,000040040400000000000000000000000040000100000000000000000000000000000000c02a00,00004020000001000002385608f23c2608325cff09,0,0,23,1,0,4,25,24,-13.427,-4.412,0,0.0,,-,0.8618,-,0.8618,https://www.genome.jp/dbget-bin/www_bget?dr:D00524
4712,D00524, Carbachol (JAN/USP/INN), Parasympathomimetics,S01EB02,SENSORY ORGANS,[N+](CCOC(=O)N)(C)(C)C,147.195,0.4882,37.7118,52.32,18,1,3,VPJXQGSRWJZDOB-UHFFFAOYSA-O,C6H15N2O2+,NC(=O)OCC[N+](C)(C)C,"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1",-6.675,-5.2472,-4.8237,-4.8118,-4.7791,-4.7242,2.0322,2.0466,2.1398,2.2366,2.465,D00524_S01EB02,00020000000000000000040000020000000000000000000002000800000000000000000000000012000c0000000000000000000000000000000000000000060008001800001000000002000000800000008000400000200000000000000000000000000000000000000000008000000000060000000200000000400000000000,0100000030e000,000040040400000000000000000000000040000100000000000000000000000000000000c02a00,00004020000001000002385608f23c2608325cff09,0,0,23,1,0,4,25,24,-13.427,-4.412,0,0.0,,-,0.8618,-,0.8618,https://www.genome.jp/dbget-bin/www_bget?dr:D00524
4713,D01000, Bethanechol chloride (JP17/USP), Choline esters,N07AB02,NERVOUS SYSTEM,[N+](C[C@@H](OC(=O)N)C)(C)(C)C,161.222,0.8767,42.5188,52.32,20,1,3,NZUPCNDJBJXXRF-LURJTMIESA-O,C7H17N2O2+,CC(C[N+](C)(C)C)OC(=O)N,"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1",-6.6801,-5.2273,-4.8192,-4.8154,-4.7792,-4.655,2.0206,2.0366,2.0994,2.2452,2.6430000000000002,D01000_N07AB02,00020000000000000000040000020000000000000000000002000800000000001000000000000012000c0010000000000000000000000000000000000000060008001800001000000002000000800000008000400000200000000000000000000000000000000000000000008000000000060000000210000000400000000000,0100000030e000,010040040400000000000000000000000040000100000000000000000000000000000000c02a04,00004020000001000002385408a214260830d8ff09,0,0,26,1,0,4,28,27,-13.417,-4.311,1,1.0,,+,0.4342,-,0.4342,https://www.genome.jp/dbget-bin/www_bget?dr:D01000
4714,D00525, Pilocarpine (JAN/USP), Other parasympathomimetics,N07AX01,NERVOUS SYSTEM,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4519,-2.9817,-1.2156,-0.8206,-0.7112,-0.6679,0.5381,0.5944,0.6063,1.1668,1.1877,D00525_N07AX01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.52,0.6859999999999999,2,,0.016165942,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D00525
4715,D00525, Pilocarpine (JAN/USP), Parasympathomimetics,S01EB01,SENSORY ORGANS,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4435,-2.9889,-1.2144,-0.8272,-0.7085,-0.6665,0.5374,0.6012,0.612,1.1644,1.1868,D00525_S01EB01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.52,0.6859999999999999,2,,0.016165942,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D00525
4716,D02200, Pilocarpine hydrochloride (JP17/USP), Other parasympathomimetics,N07AX01,NERVOUS SYSTEM,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4287,-2.9852,-1.2129,-0.8272,-0.7163,-0.6658,0.5443,0.5977,0.6114,1.1668,1.1897,D02200_N07AX01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.516,0.6829999999999999,2,0.0,0.016166396,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D02200
4717,D02200, Pilocarpine hydrochloride (JP17/USP), Parasympathomimetics,S01EB01,SENSORY ORGANS,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4327,-2.988,-1.2129,-0.8276,-0.7109,-0.6656,0.5439,0.5987,0.6115,1.1659,1.1879,D02200_S01EB01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.516,0.6829999999999999,2,0.0,0.016166396,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D02200
4718,D05478, Pilocarpine nitrate (USP), Other parasympathomimetics,N07AX01,NERVOUS SYSTEM,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.3942,-2.9816,-1.2094,-0.8287,-0.7121,-0.6636,0.5453,0.6006,0.6116,1.1666,1.1854,D05478_N07AX01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.523,0.6859999999999999,2,1.0,0.0161689,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D05478
4719,D05478, Pilocarpine nitrate (USP), Parasympathomimetics,S01EB01,SENSORY ORGANS,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4504,-2.9855,-1.215,-0.8227,-0.7109,-0.6677,0.535,0.5988,0.6073,1.1661,1.1877,D05478_S01EB01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.523,0.6859999999999999,2,1.0,0.0161689,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D05478
4720,D08376, Pilocarpine borate, Other parasympathomimetics,N07AX01,NERVOUS SYSTEM,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4291,-2.9839,-1.2129,-0.8261,-0.7178,-0.6661,0.5473,0.5959,0.6114,1.1676,1.1897,D08376_N07AX01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.58,0.654,2,0.0,0.01477906,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D08376
4721,D08376, Pilocarpine borate, Parasympathomimetics,S01EB01,SENSORY ORGANS,[C@H]1([C@@H](C(=O)OC1)CC)Cc1n(cnc1)C,208.257,1.1618,56.468,44.12,19,0,4,QCHFTSOMWOSFHM-WPRPVWTQSA-N,C11H16N2O2,CCC1C(=O)OCC1Cc1cncn1C,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",-4.4252,-2.9899,-1.214,-0.8212,-0.7119,-0.6666,0.5399,0.5933,0.6068,1.1673,1.1865,D08376_S01EB01,000cc0200400004002004600060200008000000000000000000200420104040010040000c0000021000a001020041080010000400820400000000006000082000c100c0000000a000008100000900004009801400880002000000800000940000001000000200001000000004001080410078100021100000800000142000500,04000000303005,07000000000000000000a000000000000000000000009800000000000000000000000600403805,00000000000000010154149000588ac701e138ff1b,0,5,26,1,0,3,31,32,-9.58,0.654,2,0.0,0.01477906,+,0.7932,-,0.7932,https://www.genome.jp/dbget-bin/www_bget?dr:D08376
4722,D07349, Choline alfoscerate (INN), Other parasympathomimetics,N07AX02,NERVOUS SYSTEM,C[N+](CCO[P@](=O)(OC[C@@H](CO)O)O)(C)C,258.22900000000004,-0.8206,57.2633,106.03,26,3,6,SUHOQUVVVLNYQR-MRVPVSSYSA-O,C8H21NO6P+,OCC(COP(=O)(OCC[N+](C)(C)C)O)O,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1",-10.5297,-10.1828,-7.4813,-7.4619,-5.1523,-4.8239,2.5727,2.6358,2.7624,2.9851,2.9953,D07349_N07AX02,008201000000001110000400000000000000010000000002000000000000000010000000000000270008000400000000027000000000002100008000a0000e00080e08000000000020000200000000000000004000002000000000000000000000000000404000000000080084000000000c0000000000000000000000000000,0100003c00e000,003840040401000000000000000000000000000000000000000000000020200000000000c02a04,000000300080210090023257a8d22caa0e1e9ef509,0,0,35,1,0,8,37,36,-8.523,-1.525,1,0.0,,-,0.9152,-,0.9152,https://www.genome.jp/dbget-bin/www_bget?dr:D07349
4723,D07667, Cevimeline (INN), Other parasympathomimetics,N07AX03,NERVOUS SYSTEM,[C@@]12([C@@H]3CC[N@H+](C1)CC3)O[C@H](SC2)C,200.321,1.7123,60.3297,38.97,20,1,2,WUTYZMFRCNBCHQ-PSASIEDQSA-O,C10H18NOS+,CC1SCC2(O1)C[NH+]1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/p+1/t8-,10-/m1/s1",-6.0436,-5.0128,-4.0842,-4.0746,-2.8822,-1.8822,1.42,1.4243,1.575,1.7496,1.7863,D07667_N07AX03,003a0105000000002000040000020000012000100002000010200800000400001000300000030013000000102000004001020000000040000000200000000414081808000850880000061400020001001080075000103000c0400000000040041000002000000000000000008000100440051180310010000000000100000000,0100000030e101,07004002040000400000000000000000000000000000000000000000000000000000e400c00204,00000000080001010200b7c68ac9a8830903cdb11d,0,0,33,0,0,0,31,33,-11.828,-4.008,2,0.0,0.000365151,-,0.8202,-,0.8202,https://www.genome.jp/dbget-bin/www_bget?dr:D07667
4724,D00661, Cevimeline hydrochloride (USAN), Other parasympathomimetics,N07AX03,NERVOUS SYSTEM,[C@@]12([C@@H]3CC[N@H+](C1)CC3)O[C@H](SC2)C,200.321,1.7123,60.3297,38.97,20,1,2,WUTYZMFRCNBCHQ-PSASIEDQSA-O,C10H18NOS+,CC1SCC2(O1)C[NH+]1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/p+1/t8-,10-/m1/s1",-6.0436,-5.0128,-4.0842,-4.0746,-2.8822,-1.8822,1.42,1.4243,1.575,1.7496,1.7863,D00661_N07AX03,003a0105000000002000040000020000012000100002000010200800000400001000300000030013000000102000004001020000000040000000200000000414081808000850880000061400020001001080075000103000c0400000000040041000002000000000000000008000100440051180310010000000000100000000,0100000030e101,07004002040000400000000000000000000000000000000000000000000000000000e400c00204,00000000080001010200b7c68ac9a8830903cdb11d,0,0,33,0,0,0,31,33,-11.737,-4.003,2,1.0,0.00036256699999999995,-,0.8202,-,0.8202,https://www.genome.jp/dbget-bin/www_bget?dr:D00661
4725,D03365, Nicotine (USP), Drugs used in nicotine dependence,N07BA01,NERVOUS SYSTEM,c1cncc(c1)[C@@H]1CCC[N@@H+]1C,163.239,2.0004,54.0907,17.33,16,1,1,SNICXCGAKADSCV-JTQLQIEISA-O,C10H15N2+,C[NH+]1CCCC1c1cccnc1,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1",-6.0468,-5.8116,-4.6213,-4.5638,-1.5178,-1.0591,1.5645,1.5919,1.8124,1.8206,1.905,D03365_N07BA01,00060080000000200200060000014000000000900000000800000040000004001000500000008020008800180001004001020000000420000400000200000200040004000004000000082000020800000000014004003001c00008000008500000100002006000001000000000110400100680000241100000c0000102000010,0100000000f001,020040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000120018436968a48ac0301216ca917,0,6,22,0,0,1,27,28,-13.62,-4.114,2,,9.03932e-05,+,0.7712,-,0.7712,https://www.genome.jp/dbget-bin/www_bget?dr:D03365
4726,D05156, Nicotine bitartrate (USAN), Drugs used in nicotine dependence,N07BA01,NERVOUS SYSTEM,c1cncc(c1)[C@@H]1CCC[N@@H+]1C,163.239,2.0004,54.0907,17.33,16,1,1,SNICXCGAKADSCV-JTQLQIEISA-O,C10H15N2+,C[NH+]1CCCC1c1cccnc1,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1",-6.0468,-5.8116,-4.6213,-4.5638,-1.5178,-1.0591,1.5645,1.5919,1.8124,1.8206,1.905,D05156_N07BA01,00060080000000200200060000014000000000900000000800000040000004001000500000008020008800180001004001020000000420000400000200000200040004000004000000082000020800000000014004003001c00008000008500000100002006000001000000000110400100680000241100000c0000102000010,0100000000f001,020040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000120018436968a48ac0301216ca917,0,6,22,0,0,1,27,28,-13.620999999999999,-4.106,2,2.0,9.028979999999999e-05,+,0.7712,-,0.7712,https://www.genome.jp/dbget-bin/www_bget?dr:D05156
4727,D08669, Varenicline (INN), Drugs used in nicotine dependence,N07BA03,NERVOUS SYSTEM,c12[C@H]3C[NH2+]C[C@@H](c1cc1c(c2)nccn1)C3,212.27,2.3469,67.3424,42.39,16,1,2,JQSHBVHOMNKWFT-DTORHVGOSA-O,C13H14N3+,[NH2+]1CC2CC(C1)c1c2cc2c(c1)nccn2,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/p+1/t8-,9+",-5.7016,-5.6982,-4.3415,-4.3332,-2.0619,-2.0612,1.5555,1.5585,1.5646,1.5677,1.7869,D08669_N07BA03,20260000000004000200060000004004000000104080000000000080002000001000508100408021008020180001004001020000000020000400100200020008040006004000840000106000020800980080815004003008c0080800800810000100000000800000000000006000040000060140020110000048000102000000,0100000000f001,060040010400000000000000000000000000000000009000000000000000000000004600c01204,000004000000010001402a821a01808100a3412917,0,11,22,0,0,0,30,33,-12.632,-4.055,2,0.0,0.00011850200000000001,+,1.1868,-,1.1868,https://www.genome.jp/dbget-bin/www_bget?dr:D08669
4728,D06282, Varenicline tartrate (USAN), Drugs used in nicotine dependence,N07BA03,NERVOUS SYSTEM,c12[C@H]3C[NH2+]C[C@@H](c1cc1c(c2)nccn1)C3,212.27,2.3469,67.3424,42.39,16,1,2,JQSHBVHOMNKWFT-DTORHVGOSA-O,C13H14N3+,[NH2+]1CC2CC(C1)c1c2cc2c(c1)nccn2,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/p+1/t8-,9+",-5.7016,-5.6982,-4.3415,-4.3332,-2.0619,-2.0612,1.5555,1.5585,1.5646,1.5677,1.7869,D06282_N07BA03,20260000000004000200060000004004000000104080000000000080002000001000508100408021008020180001004001020000000020000400100200020008040006004000840000106000020800980080815004003008c0080800800810000100000000800000000000006000040000060140020110000048000102000000,0100000000f001,060040010400000000000000000000000000000000009000000000000000000000004600c01204,000004000000010001402a821a01808100a3412917,0,11,22,0,0,0,30,33,-12.637,-4.056,2,0.0,0.000118329,+,1.1868,-,1.1868,https://www.genome.jp/dbget-bin/www_bget?dr:D06282
4729,D00131, Disulfiram (JP17/USP/INN), Drugs used in alcohol dependence,N07BB01,NERVOUS SYSTEM,N(C(=S)SSC(=S)N(CC)CC)(CC)CC,296.539,3.6212,86.74,121.26,26,0,6,AUZONCFQVSMFAP-UHFFFAOYSA-N,C10H20N2S4,CCN(C(=S)SSC(=S)N(CC)CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",-3.9491,-3.897,-1.9393,-1.9336,-1.9322,-1.9181,0.9977,1.0104,1.0108,1.0654,1.3178,D00131_N07BB01,0802010000000800000004000000200000000004000000000000000000080000004000000000000000000000800002000002040000000000000200000000000000000000000000000000080082108000000000400000200000000004000020000000002000000000080100000004000000041040004000001000000000000000,0000000000a200,010000004000000000000000000000000040000000000000000000800000000000000000402000,00200000004000000401b10008020a0a003218ad01,0,0,33,2,0,9,36,35,-8.368,-2.521,0,0.0,,-,2.2362,-,2.2362,https://www.genome.jp/dbget-bin/www_bget?dr:D00131
4730,D00131, Disulfiram (JP17/USP/INN), Sulfur containing products,P03AA04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N(C(=S)SSC(=S)N(CC)CC)(CC)CC,296.539,3.6212,86.74,121.26,26,0,6,AUZONCFQVSMFAP-UHFFFAOYSA-N,C10H20N2S4,CCN(C(=S)SSC(=S)N(CC)CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",-3.8999,-3.8683,-1.9424,-1.9304,-1.9302,-1.9272,0.9958,1.0059,1.0353,1.3079,1.3237,D00131_P03AA04,0802010000000800000004000000200000000004000000000000000000080000004000000000000000000000800002000002040000000000000200000000000000000000000000000000080082108000000000400000200000000004000020000000002000000000080100000004000000041040004000001000000000000000,0000000000a200,010000004000000000000000000000000040000000000000000000800000000000000000402000,00200000004000000401b10008020a0a003218ad01,0,0,33,2,0,9,36,35,-8.368,-2.521,0,0.0,,-,2.2362,-,2.2362,https://www.genome.jp/dbget-bin/www_bget?dr:D00131
4731,D03288, Calcium carbimide (INN), Drugs used in alcohol dependence,N07BB02,NERVOUS SYSTEM,C(#N)N,42.04,0.12648,9.3774,49.81,4,1,2,XZMCDFZZKTWFGF-UHFFFAOYSA-N,CH2N2,NC#N,InChI=1S/CH2N2/c2-1-3/h2H2,-7.1445,-5.7166,-5.7163,-4.7425,-1.0699,-1.0699,-1.0699,-1.0699,1.466,2.0027,2.0027,D03288_N07BB02,0000000000000000000004000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a010,000000000000000000000000000000001000000000000000000000000000000000000000400000,000000000001000000100800000000000020402001,0,0,3,0,1,0,5,4,-10.35,1.91,0,,0.000186717,+,0.9102,-,0.9102,https://www.genome.jp/dbget-bin/www_bget?dr:D03288
4732,D07058, Acamprosate (INN), Drugs used in alcohol dependence,N07BB03,NERVOUS SYSTEM,CC(=O)NCCCS(=O)(=O)O,181.21,0.8721,39.6865,91.85,15,2,5,AFCGFAGUEYAMAO-UHFFFAOYSA-N,C5H11NO4S,CC(=O)NCCCS(=O)(=O)O,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",-8.9142,-8.8751,-8.4696,-4.8037,-4.3446,-3.8143,2.5908,2.6103,2.6378,2.752,3.0610000000000004,D07058_N07BB03,2002010100000000214004000000000000000000000000001000000000800008180004000002000002060010000000400002000000000000000000000010000000000000000000800200040002800000400000400020200000000000000000000002000000000000000000000000000000045000000010000010000400000000,0400000000a000,0300000000000000000080000a0000000000000000000000000022000000000000000000402800,00000000c080441a1401820ea8ea38088e0e4eef09,0,0,18,3,0,5,22,21,-6.5889999999999995,3.722,0,1.0,,-,0.5715,-,0.5715,https://www.genome.jp/dbget-bin/www_bget?dr:D07058
4733,D02780, Acamprosate calcium (JAN/USAN), Drugs used in alcohol dependence,N07BB03,NERVOUS SYSTEM,CC(=O)NCCCS(=O)(=O)O,181.21,0.8721,39.6865,91.85,15,2,5,AFCGFAGUEYAMAO-UHFFFAOYSA-N,C5H11NO4S,CC(=O)NCCCS(=O)(=O)O,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",-8.9687,-8.8956,-8.4,-4.3418,-3.8367,-3.8096,2.1776,2.3986,2.593,2.608,2.6239,D02780_N07BB03,2002010100000000214004000000000000000000000000001000000000800008180004000002000002060010000000400002000000000000000000000010000000000000000000800200040002800000400000400020200000000000000000000002000000000000000000000000000000045000000010000010000400000000,0400000000a000,0300000000000000000080000a0000000000000000000000000022000000000000000000402800,00000000c080441a1401820ea8ea38088e0e4eef09,0,0,18,3,0,5,22,21,-6.591,3.7239999999999998,0,0.0,,-,0.5626,-,0.5626,https://www.genome.jp/dbget-bin/www_bget?dr:D02780
4734,D05113, Naltrexone (USAN/INN), Drugs used in alcohol dependence,N07BB04,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CC1)O,342.409,1.6775,96.2525,71.2,28,3,4,DQCKKXVULJGBQN-XFWGSAIBSA-O,C20H24NO4+,O=C1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CC2)ccc1O)O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/p+1/t15-,18+,19+,20-/m1/s1",-6.0274,-5.4427,-4.6358,-4.4778,-2.9966,-2.017,1.5586,1.6271,1.7139,1.7181,1.9022,D05113_N07BB04,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0231ac0800440d1815000003408c0180801800805004182002000100007020000c2e1101800000721000a0510200802004300100504,1500004c52f001,0e4842020400010000000000000000000000000000010000000000000000000000006600c02a05,0000200000002101820436c79ac1a1c30dcfcf7f1f,0,6,47,1,0,2,49,54,-11.925999999999998,-3.931,5,1.0,0.000217557,+,2.0736,-,2.0736,https://www.genome.jp/dbget-bin/www_bget?dr:D05113
4735,D02095, Naltrexone hydrochloride (USP), Drugs used in alcohol dependence,N07BB04,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CC1)O,342.409,1.6775,96.2525,71.2,28,3,4,DQCKKXVULJGBQN-XFWGSAIBSA-O,C20H24NO4+,O=C1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CC2)ccc1O)O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/p+1/t15-,18+,19+,20-/m1/s1",-6.0275,-5.4456,-4.6367,-4.4783,-2.9954,-2.0171,1.5593,1.6267,1.7141,1.719,1.9029,D02095_N07BB04,402e0000000002000ac80600020300040000001008021200010000c000080000100450834040000310022018000100000102020008204807008000a20002801818a00c0221000c118000a0231ac0800440d1815000003408c0180801800805004182002000100007020000c2e1101800000721000a0510200802004300100504,1500004c52f001,0e4842020400010000000000000000000000000000010000000000000000000000006600c02a05,0000200000002101820436c79ac1a1c30dcfcf7f1f,0,6,47,1,0,2,49,54,-11.924000000000001,-3.931,5,,0.00021765,+,2.0736,-,2.0736,https://www.genome.jp/dbget-bin/www_bget?dr:D02095
4736,D05111, Nalmefene (USAN/INN), Drugs used in alcohol dependence,N07BB05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=C)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CC1)O,340.436,2.6646,100.38600000000001,54.13,29,3,3,WJBLNOPPDWQMCH-MBPVOVBZSA-O,C21H26NO3+,C=C1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CC2)ccc1O)O,"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/p+1/t16-,19+,20+,21-/m1/s1",-6.0321,-5.4511,-4.6433,-4.4838,-2.0332,-1.902,1.5603,1.6307,1.7138,1.7178,1.9073,D05111_N07BB05,502e0100000002240ac80600020304040000009000021204010400c000000000100454834040000310002018000100000102020010204907008000220002801818a00c0221040c118000a023024080024081815000003008c2181801800800004186002000100002020000c2e1101800000721000a051020280200c300100004,0100004c52f001,1e4842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200002002301820c36c79ec1a1c30dc7cf7d1f,0,6,49,1,0,2,51,56,-11.758,-3.7319999999999998,5,0.0,0.011821383999999999,+,2.0772,-,2.0772,https://www.genome.jp/dbget-bin/www_bget?dr:D05111
4737,D02104, Nalmefene hydrochloride, Drugs used in alcohol dependence,N07BB05,NERVOUS SYSTEM,[C@@]123c4c5O[C@H]2C(=C)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CC1)O,340.436,2.6646,100.38600000000001,54.13,29,3,3,WJBLNOPPDWQMCH-MBPVOVBZSA-O,C21H26NO3+,C=C1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CC2)ccc1O)O,"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/p+1/t16-,19+,20+,21-/m1/s1",-6.0318,-5.4564,-4.6419,-4.4798,-2.0335,-1.9016,1.5615,1.6277,1.7153,1.7202,1.9022,D02104_N07BB05,502e0100000002240ac80600020304040000009000021204010400c000000000100454834040000310002018000100000102020010204907008000220002801818a00c0221040c118000a023024080024081815000003008c2181801800800004186002000100002020000c2e1101800000721000a051020280200c300100004,0100004c52f001,1e4842020400000000000000000000000000000000010000000000000000000000006600c02204,0000200002002301820c36c79ec1a1c30dc7cf7d1f,0,6,49,1,0,2,51,56,-11.755999999999998,-3.733,5,0.0,0.011825896,+,2.0772,-,2.0772,https://www.genome.jp/dbget-bin/www_bget?dr:D02104
4738,D08195, Methadone (BAN), Drugs used in opioid dependence,N07BC02,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@@H](C)[NH+](C)C)C(=O)CC,310.453,2.8749,98.5877,21.51,29,1,1,USSIQXCVUWKGNF-QGZVFWFLSA-O,C21H28NO+,CCC(=O)C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/p+1/t17-/m1/s1",-6.0328,-4.6037,-4.586,-4.3481,-3.0368,-1.2812,1.413,1.4611,1.5379,1.5955,1.607,D08195_N07BC02,00068000002002000a000600800000000000005000000000000000a0000000001000500000000000100200180001000001000000002000000000000200000000000004000000004000002000008000050090014000003008c0080800000800000000000100000000000000000000000000060100020110000002000100000300,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e020910d9ae1f,0,12,39,1,0,7,51,52,-12.644,-3.52,1,1.0,0.041202072,+,0.8309,-,0.8309,https://www.genome.jp/dbget-bin/www_bget?dr:D08195
4739,D02102, Methadone hydrochloride (JAN/USP), Drugs used in opioid dependence,N07BC02,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@@H](C)[NH+](C)C)C(=O)CC,310.453,2.8749,98.5877,21.51,29,1,1,USSIQXCVUWKGNF-QGZVFWFLSA-O,C21H28NO+,CCC(=O)C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/p+1/t17-/m1/s1",-6.0373,-4.6085,-4.5669,-4.4236,-3.0291,-1.2146,1.4040000000000001,1.4785,1.5703,1.5928,1.5992,D02102_N07BC02,00068000002002000a000600800000000000005000000000000000a0000000001000500000000000100200180001000001000000002000000000000200000000000004000000004000002000008000050090014000003008c0080800000800000000000100000000000000000000000000060100020110000002000100000300,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e020910d9ae1f,0,12,39,1,0,7,51,52,-12.642999999999999,-3.471,1,-1.0,0.052877485999999994,+,0.8309,-,0.8309,https://www.genome.jp/dbget-bin/www_bget?dr:D02102
4740,D04716, Levomethadyl acetate (USAN), Drugs used in opioid dependence,N07BC03,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@H](C)[NH+](C)C)[C@@H](OC(=O)C)CC,354.506,3.2375,109.287,30.74,34,1,2,XBMIVRRWGCYBTQ-AVRDEDQJSA-O,C23H32NO2+,CCC(C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C)OC(=O)C,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/p+1/t18-,22-/m0/s1",-6.0486,-4.6564,-4.64,-4.5126,-4.4187,-2.9527,1.4080000000000001,1.4632,1.4680000000000002,1.5684,1.5798,D04716_N07BC03,000e0000000002000a000600800200000000005000020000000000a0000400001000500000000001100a0018200101000100000000204004000000020000820808100c000000040000002000008000000080014000003008c0080800000800004000000100000000000000004000180000070100020110000002000100000000,0500000030f005,0b0040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e260910d9fe1f,0,12,46,1,0,9,58,59,-12.557,-3.594,2,,0.075593621,+,0.9182,-,0.9182,https://www.genome.jp/dbget-bin/www_bget?dr:D04716
4741,D00840, Levomethadyl acetate hydrochloride (USA, Drugs used in opioid dependence,N07BC03,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@H](C)[NH+](C)C)[C@@H](OC(=O)C)CC,354.506,3.2375,109.287,30.74,34,1,2,XBMIVRRWGCYBTQ-AVRDEDQJSA-O,C23H32NO2+,CCC(C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C)OC(=O)C,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/p+1/t18-,22-/m0/s1",-6.0073,-4.606,-4.5576,-4.5328,-4.2954,-2.8585,1.3791,1.4263,1.5119,1.5138,1.6032,D00840_N07BC03,000e0000000002000a000600800200000000005000020000000000a0000400001000500000000001100a0018200101000100000000204004000000020000820808100c000000040000002000008000000080014000003008c0080800000800004000000100000000000000004000180000070100020110000002000100000000,0500000030f005,0b0040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e260910d9fe1f,0,12,46,1,0,9,58,59,-12.552999999999999,-3.574,2,,0.07574082900000001,+,0.9182,-,0.9182,https://www.genome.jp/dbget-bin/www_bget?dr:D00840
4742,D08141, Lofexidine (INN), Drugs used in opioid dependence,N07BC04,NERVOUS SYSTEM,c1ccc(c(c1Cl)O[C@@H](C1=[NH]CCN1)C)Cl,260.14,2.741,74.7584,45.11,16,2,2,LGPVJMBNRINOQD-SSDOTTSWSA-N,C11H13Cl2N2O,CC(C1=[NH]CCN1)Oc1c(Cl)cccc1Cl,"InChI=1S/C11H13Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7,14-15H,5-6H2,1H3/t7-/m1/s1",-5.2322,-5.2227,-5.0685,-5.0643,-3.8098,-3.7956,1.8573,1.9109,1.9279,2.2393,2.2411,D08141_N07BC04,0002020000000000008006001002040801000000000000400088000080200000100800020100001200010438000020000002020020000001008010000008001008001800111010010804000006009002008800601000211043080020000001010000000008000012200001008010000002264000080030200800000000a00004,0000000050b001,010042010000000000008000000000000000000000040000000000000000000000000600402804,0000000020042000007046c6c84ce16124e3e4b91f,0,6,23,1,0,3,29,30,-12.838,-5.145,1,-2.0,0.0021141239999999998,+,0.2537,-,0.2537,https://www.genome.jp/dbget-bin/www_bget?dr:D08141
4743,D04765, Lofexidine hydrochloride (USAN), Drugs used in opioid dependence,N07BC04,NERVOUS SYSTEM,c1ccc(c(c1Cl)O[C@@H](C1=[NH]CCN1)C)Cl,260.14,2.741,74.7584,45.11,16,2,2,LGPVJMBNRINOQD-SSDOTTSWSA-N,C11H13Cl2N2O,CC(C1=[NH]CCN1)Oc1c(Cl)cccc1Cl,"InChI=1S/C11H13Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7,14-15H,5-6H2,1H3/t7-/m1/s1",-5.2303,-5.2093,-5.0885,-5.0592,-3.8082,-3.8011,1.8551,1.9085,1.9121,2.2335,2.245,D04765_N07BC04,0002020000000000008006001002040801000000000000400088000080200000100800020100001200010438000020000002020020000001008010000008001008001800111010010804000006009002008800601000211043080020000001010000000008000012200001008010000002264000080030200800000000a00004,0000000050b001,010042010000000000008000000000000000000000040000000000000000000000000600402804,0000000020042000007046c6c84ce16124e3e4b91f,0,6,23,1,0,3,29,30,-12.839,-5.145,1,,0.002261592,+,0.2537,-,0.2537,https://www.genome.jp/dbget-bin/www_bget?dr:D04765
4744,D08121, Levomethadone (INN), Drugs used in opioid dependence,N07BC05,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@H]([NH+](C)C)C)C(=O)CC,310.453,2.8749,98.5877,21.51,29,1,1,USSIQXCVUWKGNF-QGZVFWFLSA-O,C21H28NO+,CCC(=O)C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/p+1/t17-/m1/s1",-6.0352,-4.7074,-4.6257,-4.5691,-3.08,-1.6725,1.4715,1.4741,1.5767,1.6084,1.6172,D08121_N07BC05,00068000002002000a000600800000000000005000000000000000a0000000001000500000000000100200180001000001000000002000000000000200000000000004000000004000002000008000050090014000003008c0080800000800000000000100000000000000000000000000060100020110000002000100000300,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e020910d9ae1f,0,12,39,1,0,7,51,52,-12.645,-3.523,1,0.0,0.041182835,+,0.8309,-,0.8309,https://www.genome.jp/dbget-bin/www_bget?dr:D08121
4745,D08122, Levomethadone hydrochloride, Drugs used in opioid dependence,N07BC05,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)(C[C@H]([NH+](C)C)C)C(=O)CC,310.453,2.8749,98.5877,21.51,29,1,1,USSIQXCVUWKGNF-QGZVFWFLSA-O,C21H28NO+,CCC(=O)C(c1ccccc1)(c1ccccc1)CC([NH+](C)C)C,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/p+1/t17-/m1/s1",-6.0414,-4.5803,-4.547,-4.3884,-2.9232,-1.2898,1.4245,1.4822,1.5473,1.5778,1.5857,D08122_N07BC05,00068000002002000a000600800000000000005000000000000000a0000000001000500000000000100200180001000001000000002000000000000200000000000004000000004000002000008000050090014000003008c0080800000800000000000100000000000000000000000000060100020110000002000100000300,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000000200c02a05,00000000000001000202301080c80e020910d9ae1f,0,12,39,1,0,7,51,52,-12.640999999999998,-3.5210000000000004,1,0.0,0.041192457,+,0.8309,-,0.8309,https://www.genome.jp/dbget-bin/www_bget?dr:D08122
4746,D07286, Diamorphine (BAN), Drugs used in opioid dependence,N07BC06,NERVOUS SYSTEM,[C@]123c4c5O[C@H]1[C@H](C=C[C@H]2[C@@H](Cc4ccc5OC(=O)C)[N@@H+](CC3)C)OC(=O)C,370.41900000000004,2.1407,102.447,66.27,29,1,5,GVGLGOZIDCSQPN-PVHGPHFFSA-O,C21H24NO5+,CC(=O)OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1OC(=O)C,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/p+1/t14-,15+,17-,20-,21-/m0/s1",-6.0246,-4.7169,-4.6523,-4.4446,-4.4201,-4.3714,1.5321,1.5325,1.5897,1.5985,1.6439,D07286_N07BC06,502f8110000002240acc0700020300042400809000425204012400c0001420021004548940e00015100a20182001000001a2020012204924608000220002820818b00c02250425118000a02102c282004080815100033048ca181800902800004306003800100c02020800c261101800000731800a0d1020080200cb00100004,0500000070f005,1f0042020400000000009000000000000000000000000000000000000000000000006600c32a05,0000000000000101820436949ec1ade781d9dffb1f,0,6,46,3,0,4,51,55,-12.287,-3.792,6,0.0,0.003371114,+,2.0035,-,2.0035,https://www.genome.jp/dbget-bin/www_bget?dr:D07286
4747,D07810, Diacetylmorphine hydrochloride, Drugs used in opioid dependence,N07BC06,NERVOUS SYSTEM,[C@]123c4c5O[C@H]1[C@H](C=C[C@H]2[C@@H](Cc4ccc5OC(=O)C)[N@@H+](CC3)C)OC(=O)C,370.41900000000004,2.1407,102.447,66.27,29,1,5,GVGLGOZIDCSQPN-PVHGPHFFSA-O,C21H24NO5+,CC(=O)OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1OC(=O)C,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/p+1/t14-,15+,17-,20-,21-/m0/s1",-6.0346,-4.6174,-4.5883,-4.4528,-4.4214,-4.4068,1.4571,1.5352,1.5875,1.6168,1.6276,D07810_N07BC06,502f8110000002240acc0700020300042400809000425204012400c0001420021004548940e00015100a20182001000001a2020012204924608000220002820818b00c02250425118000a02102c282004080815100033048ca181800902800004306003800100c02020800c261101800000731800a0d1020080200cb00100004,0500000070f005,1f0042020400000000009000000000000000000000000000000000000000000000006600c32a05,0000000000000101820436949ec1ade781d9dffb1f,0,6,46,3,0,4,51,55,-12.285,-3.792,6,1.0,0.003372462,+,2.0035,-,2.0035,https://www.genome.jp/dbget-bin/www_bget?dr:D07810
4748,D07522, Betahistine (INN), Antivertigo preparations,N07CA01,NERVOUS SYSTEM,c1cnc(cc1)CC[NH2+]C,137.202,-0.1827,42.8764,29.5,14,1,1,UUQMNUMQCIQDMZ-UHFFFAOYSA-O,C8H13N2+,C[NH2+]CCc1ccccn1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/p+1",-5.7197,-5.6189,-4.4406,-4.3775,-2.2927,-1.6028,1.5554,1.567,1.5695,1.6013,1.7871,D07522_N07CA01,00060020000000000200060004000004000000004000000000000080001000001000408100008020008020180000004000000000000020000000000a000000000400040200000201000000000008000000008040048020084002080000000000000000000000000000000000200004000006001020411000000000000a000000,0100000000f001,020040010400000000000000000000000000000000009000000000000000000000000600c02200,000000000000010001802a108a402c01002144ad17,0,6,17,0,0,3,23,23,-13.12,-4.33,0,0.0,1.30229e-05,+,0.419,-,0.419,https://www.genome.jp/dbget-bin/www_bget?dr:D07522
4749,D01592, Betahistine mesilate (JP17), Antivertigo preparations,N07CA01,NERVOUS SYSTEM,c1cnc(cc1)CC[NH2+]C,137.202,-0.1827,42.8764,29.5,14,1,1,UUQMNUMQCIQDMZ-UHFFFAOYSA-O,C8H13N2+,C[NH2+]CCc1ccccn1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/p+1",-5.7196,-5.6183,-4.4429,-4.3766,-2.3029,-1.6128,1.5544,1.5674,1.5688,1.6019,1.7858,D01592_N07CA01,00060020000000000200060004000004000000004000000000000080001000001000408100008020008020180000004000000000000020000000000a000000000400040200000201000000000008000000008040048020084002080000000000000000000000000000000000200004000006001020411000000000000a000000,0100000000f001,020040010400000000000000000000000000000000009000000000000000000000000600c02200,000000000000010001802a108a402c01002144ad17,0,6,17,0,0,3,23,23,-13.122,-4.33,0,0.0,1.30277e-05,+,0.419,-,0.419,https://www.genome.jp/dbget-bin/www_bget?dr:D01592
4750,D03102, Betahistine hydrochloride (USP), Antivertigo preparations,N07CA01,NERVOUS SYSTEM,c1cnc(cc1)CC[NH2+]C,137.202,-0.1827,42.8764,29.5,14,1,1,UUQMNUMQCIQDMZ-UHFFFAOYSA-O,C8H13N2+,C[NH2+]CCc1ccccn1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/p+1",-5.7184,-5.6199,-4.4439,-4.3771,-2.2945,-1.6072,1.5564,1.5665,1.5697,1.6003,1.7854,D03102_N07CA01,00060020000000000200060004000004000000004000000000000080001000001000408100008020008020180000004000000000000020000000000a000000000400040200000201000000000008000000008040048020084002080000000000000000000000000000000000200004000006001020411000000000000a000000,0100000000f001,020040010400000000000000000000000000000000009000000000000000000000000600c02200,000000000000010001802a108a402c01002144ad17,0,6,17,0,0,3,23,23,-13.119000000000002,-4.332,0,1.0,1.30033e-05,+,0.419,-,0.419,https://www.genome.jp/dbget-bin/www_bget?dr:D03102
4751,D01295, Cinnarizine (JAN/USAN/INN), Antivertigo preparations,N07CA02,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)C/C=C/c1ccccc1,370.53,5.4112,127.78200000000001,8.88,30,2,0,DERZBLKQOCDDDZ-JLHYYAGUSA-P,C26H30N2++,c1ccc(cc1)C=CC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/p+2/b13-10+",-6.6953,-6.0181,-6.0166,-5.8032,-4.6431,-4.5428,2.0721,2.1058,2.3305,2.3944,2.4779,D01295_N07CA02,00060000000004040200060080014008000001c000204800000000e000000000100040022000000000800028000000000010800000000000000100020004002000000000020400000020010002080000008000400000200840084900000000000014000380001080000000000000000000060104000100000080000000000000,0100000000f001,100040020400000000000000000000000000000000000000000000000000000000000640c32204,0000000000002100004432048e40a08305234d2d17,0,18,42,1,0,6,58,61,-14.437000000000001,-7.615,0,0.0,7.23467e-05,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D01295
4752,D07734, Cinnarizine dihydrochloride, Antivertigo preparations,N07CA02,NERVOUS SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)C/C=C/c1ccccc1,370.53,5.4112,127.78200000000001,8.88,30,2,0,DERZBLKQOCDDDZ-JLHYYAGUSA-P,C26H30N2++,c1ccc(cc1)C=CC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/p+2/b13-10+",-6.9749,-6.0338,-6.0174,-5.6887,-4.5753,-4.5613,2.1609,2.1837,2.3306,2.3556,2.5348,D07734_N07CA02,00060000000004040200060080014008000001c000204800000000e000000000100040022000000000800028000000000010800000000000000100020004002000000000020400000020010002080000008000400000200840084900000000000014000380001080000000000000000000060104000100000080000000000000,0100000000f001,100040020400000000000000000000000000000000000000000000000000000000000640c32204,0000000000002100004432048e40a08305234d2d17,0,18,42,1,0,6,58,61,-14.487,-7.756,0,1.0,7.63955e-05,+,1.1414,-,1.1414,https://www.genome.jp/dbget-bin/www_bget?dr:D07734
4753,D07971, Flunarizine (INN), Antivertigo preparations,N07CA03,NERVOUS SYSTEM,C(c1ccc(cc1)F)(c1ccc(cc1)F)[N@@H+]1CC[N@@H+](CC1)C/C=C/c1ccccc1,406.51099999999997,5.6894,127.698,8.88,28,2,0,SMANXXCATUTDDT-QPJJXVBHSA-P,C26H28F2N2++,Fc1ccc(cc1)C([NH+]1CC[NH+](CC1)CC=Cc1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/p+2/b7-4+",-6.8618,-6.0246,-6.0226,-5.7342,-4.6007,-4.5934,2.1196,2.14,2.3503,2.3736,2.5605,D07971_N07CA03,00060000000004040280060080014008010001c000204800000000e000000000100040022000000000800028000000000010900000000000800100020004002000000000020400000030010002080000008000400000200840084900000000000014000380001080100000000000000000060106000110000080000000000000,0100000000f001,100040020400000000000000000000000000000000080000000000000000000000000640c32204,0000000000022100004472048e44a08325234d2d17,2,18,42,1,0,6,58,61,-14.529000000000002,-7.827000000000001,0,1.0,0.000292726,-,1.2808,-,1.2808,https://www.genome.jp/dbget-bin/www_bget?dr:D07971
4754,D01303, Flunarizine hydrochloride (JAN/USAN), Antivertigo preparations,N07CA03,NERVOUS SYSTEM,C(c1ccc(cc1)F)(c1ccc(cc1)F)[N@@H+]1CC[N@@H+](CC1)C/C=C/c1ccccc1,406.51099999999997,5.6894,127.698,8.88,28,2,0,SMANXXCATUTDDT-QPJJXVBHSA-P,C26H28F2N2++,Fc1ccc(cc1)C([NH+]1CC[NH+](CC1)CC=Cc1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/p+2/b7-4+",-6.684,-6.0279,-6.006,-5.7834,-4.5455,-4.5366,2.0638,2.1104,2.3102,2.3698,2.5023,D01303_N07CA03,00060000000004040280060080014008010001c000204800000000e000000000100040022000000000800028000000000010900000000000800100020004002000000000020400000030010002080000008000400000200840084900000000000014000380001080100000000000000000060106000110000080000000000000,0100000000f001,100040020400000000000000000000000000000000080000000000000000000000000640c32204,0000000000022100004472048e44a08325234d2d17,2,18,42,1,0,6,58,61,-14.509,-7.827999999999999,0,,0.000289153,-,1.2808,-,1.2808,https://www.genome.jp/dbget-bin/www_bget?dr:D01303
4755,D07350, Acetylleucine (INN), Antivertigo preparations,N07CA04,NERVOUS SYSTEM,[C@@H](CC(C)C)(NC(=O)C)C(=O)O,173.21,1.0127,45.3435,66.4,18,2,4,WXNXCEHXYPACJF-ZETCQYMHSA-N,C8H15NO3,CC(CC(C(=O)O)NC(=O)C)C,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1",-4.5449,-4.4212,-4.3565,-3.8252,-3.7954,-2.8224,1.6638,2.2246,2.3679,2.4592,2.603,D07350_N07CA04,00020000004000200100040000000000000000100000000000000000000000001800000000000003000e0410000000000102000000004000000000000000001008000800000000000000000002800006003000400000200080000000000000000000002000000000000000008000080000040000000010000050000100000100,0400000c00a002,0700000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000020000002004a80681404841452fe09,0,0,24,2,0,5,27,26,-4.195,5.062,1,1.0,,-,0.8245,-,0.8245,https://www.genome.jp/dbget-bin/www_bget?dr:D07350
4756,D08606, Tirilazad (INN), Other nervous system drugs,N07XX01,NERVOUS SYSTEM,C1[C@H]([C@H](C(=O)C[NH+]2CCN(c3nc(nc(c3)N3CCCC3)N3CCCC3)CC2)[C@@]2([C@@H]1[C@H]1C(=CC2)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)C,625.866,5.8054,199.488,74.08,60,1,7,RBKASMJPSJDQKY-RBFSKHHSSA-O,C38H53N6O2+,O=C1C=CC2(C(=C1)CCC1C2=CCC2(C1CC(C2C(=O)C[NH+]1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C,"InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/p+1/t26-,29-,31+,35-,37+,38+/m1/s1",-6.3033,-6.028,-5.0953,-4.7992,-4.7746,-4.5445,2.7987,3.1433,3.1769,3.1903,3.2069,D08606_N07XX01,c0020000005002640008460118000008c00000900046400000001000000028001208100261c8802090020436010010000102a20000204102204000000010040004001c0000040200012000000a80020600300140040020008082102000010001820c102280a8000010600000080000220006080c200010000100000102000100,1500000000f021,1f0040020400010000000000000000010001000000009000000000000000000000004640c37a05,000000032000032003dc36c49ecbacc3d973fdef1f,0,6,95,5,0,6,99,106,-10.642000000000001,-4.206,6,-2.0,0.07515151099999999,+,6.5805,-,6.5805,https://www.genome.jp/dbget-bin/www_bget?dr:D08606
4757,D01930, Tirilazad mesilate (JAN), Other nervous system drugs,N07XX01,NERVOUS SYSTEM,C1[C@H]([C@H](C(=O)C[NH+]2CCN(c3nc(nc(c3)N3CCCC3)N3CCCC3)CC2)[C@@]2([C@@H]1[C@H]1C(=CC2)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)C,625.866,5.8054,199.488,74.08,60,1,7,RBKASMJPSJDQKY-RBFSKHHSSA-O,C38H53N6O2+,O=C1C=CC2(C(=C1)CCC1C2=CCC2(C1CC(C2C(=O)C[NH+]1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C,"InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/p+1/t26-,29-,31+,35-,37+,38+/m1/s1",-6.2665,-6.0232,-5.0849,-4.7893,-4.7663,-4.548,2.7993,3.1637,3.1658,3.1752,3.2030000000000003,D01930_N07XX01,c0020000005002640008460118000008c00000900046400000001000000028001208100261c8802090020436010010000102a20000204102204000000010040004001c0000040200012000000a80020600300140040020008082102000010001820c102280a8000010600000080000220006080c200010000100000102000100,1500000000f021,1f0040020400010000000000000000010001000000009000000000000000000000004640c37a05,000000032000032003dc36c49ecbacc3d973fdef1f,0,6,95,5,0,6,99,106,-10.64,-4.218999999999999,6,1.0,0.075012282,+,6.5805,-,6.5805,https://www.genome.jp/dbget-bin/www_bget?dr:D01930
4758,D06168, Tirilazad mesylate (USAN), Other nervous system drugs,N07XX01,NERVOUS SYSTEM,C1[C@H]([C@H](C(=O)C[NH+]2CCN(c3nc(nc(c3)N3CCCC3)N3CCCC3)CC2)[C@@]2([C@@H]1[C@H]1C(=CC2)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)C,625.866,5.8054,199.488,74.08,60,1,7,RBKASMJPSJDQKY-RBFSKHHSSA-O,C38H53N6O2+,O=C1C=CC2(C(=C1)CCC1C2=CCC2(C1CC(C2C(=O)C[NH+]1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C,"InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/p+1/t26-,29-,31+,35-,37+,38+/m1/s1",-6.2618,-6.0605,-5.0857,-4.7892,-4.7601,-4.5285,2.6051,3.1545,3.1722,3.1738,3.1847,D06168_N07XX01,c0020000005002640008460118000008c00000900046400000001000000028001208100261c8802090020436010010000102a20000204102204000000010040004001c0000040200012000000a80020600300140040020008082102000010001820c102280a8000010600000080000220006080c200010000100000102000100,1500000000f021,1f0040020400010000000000000000010001000000009000000000000000000000004640c37a05,000000032000032003dc36c49ecbacc3d973fdef1f,0,6,95,5,0,6,99,106,-10.640999999999998,-4.221,6,0.0,0.074983485,+,6.5805,-,6.5805,https://www.genome.jp/dbget-bin/www_bget?dr:D06168
4759,D00775, Riluzole (JAN/USAN/INN), Other nervous system drugs,N07XX02,NERVOUS SYSTEM,C(Oc1cc2c(cc1)nc(s2)N)(F)(F)F,234.19799999999998,3.3583,50.7074,76.38,8,1,4,FTALBRSUTCGOEG-UHFFFAOYSA-N,C8H5F3N2OS,Nc1nc2c(s1)cc(cc2)OC(F)(F)F,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",-5.0237,-5.0217,-4.7733,-4.7166,-4.7133,-4.7071,1.0259,1.296,1.3137,1.328,1.3524,D00775_N07XX02,000641000000000000200e0008020002040800c0000000400000000c0020000000002102080880208200004c00000040000022001000200080000000000000000c040400c1200001000040022600000000804010040a0000401800010000400018800200000108020080800010100c0000020000080010200800001002000300,0000000050b021,00010008000000600000000000000000000020000000d000000000000000000000004600602800,000000000842000001108d80108781617061c0381f,3,10,11,0,0,2,20,21,-8.826,-0.359,0,,0.097444862,-,0.5798,-,0.5798,https://www.genome.jp/dbget-bin/www_bget?dr:D00775
4760,D06327, Xaliproden (USAN), Other nervous system drugs,N07XX03,NERVOUS SYSTEM,c1ccc2c(c1)cc(cc2)CC[N@@H+]1CC=C(CC1)c1cccc(c1)C(F)(F)F,382.441,6.3425,113.223,4.44,23,1,0,WJJYZXPHLSLMGE-UHFFFAOYSA-O,C24H23F3N+,FC(c1cccc(c1)C1=CC[NH+](CC1)CCc1ccc2c(c1)cccc2)(F)F,"InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2/p+1",-6.0307,-5.8638,-4.5947,-4.5544,-4.191,-4.1838,1.5787,1.5863,1.5955,1.8408,1.8965,D06327_N07XX03,00260002000010840a04260000404004000001d0002048000000008000000000100040810080000108002018000100000102800002000000400100020004002008000c000200000000000101020100000280004000003008d8085800800800000004002080041880000000000100000000060100000110000082010810000000,0100000000f001,120140020400000000000000000000000000000000000000000000000000000000004640e02204,0000000000020320000c32049ec7208321034d2517,3,17,36,1,0,5,51,54,-11.186,-3.9210000000000003,1,1.0,0.588504255,-,1.1834,-,1.1834,https://www.genome.jp/dbget-bin/www_bget?dr:D06327
4761,D01537, Xaliproden hydrochloride (JAN), Other nervous system drugs,N07XX03,NERVOUS SYSTEM,c1ccc2c(c1)cc(cc2)CC[N@@H+]1CC=C(CC1)c1cccc(c1)C(F)(F)F,382.441,6.3425,113.223,4.44,23,1,0,WJJYZXPHLSLMGE-UHFFFAOYSA-O,C24H23F3N+,FC(c1cccc(c1)C1=CC[NH+](CC1)CCc1ccc2c(c1)cccc2)(F)F,"InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2/p+1",-6.0345,-5.8579,-4.5988,-4.5666,-4.19,-4.1852,1.587,1.5875,1.5879,1.8408,1.8873,D01537_N07XX03,00260002000010840a04260000404004000001d0002048000000008000000000100040810080000108002018000100000102800002000000400100020004002008000c000200000000000101020100000280004000003008d8085800800800000004002080041880000000000100000000060100000110000082010810000000,0100000000f001,120140020400000000000000000000000000000000000000000000000000000000004640e02204,0000000000020320000c32049ec7208321034d2517,3,17,36,1,0,5,51,54,-11.186,-3.9210000000000003,1,1.0,0.588504255,-,1.1834,-,1.1834,https://www.genome.jp/dbget-bin/www_bget?dr:D01537
4762,D08575, Tetrabenazine (JAN/INN), Other nervous system drugs,N07XX06,NERVOUS SYSTEM,C1[C@@H]2[N@H+](C[C@@H](C1=O)CC(C)C)CCc1c2cc(c(c1)OC)OC,318.431,3.3902,96.3667,39.97,31,1,3,MKJIEFSOBYUXJB-HOCLYGCPSA-O,C19H28NO3+,COc1cc2c(cc1OC)CC[NH+]1C2CC(=O)C(C1)CC(C)C,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/p+1/t14-,16-/m0/s1",-6.0279,-5.8097,-4.5883,-4.5598,-2.9711,-2.2306,1.5941,1.7453,1.8293,1.8493,2.0432,D08575_N07XX06,00260000000006200a000600020300040000009000403200010000c000180000108054810040000010822018000102000102020018200800200000020002000008800000210400010000202082c8000c0090815000003008c0080800800800000110002200000403020000c020100000000601100a0110200800004708000100,1500000050f001,070042020400010000000000000000000000000000000000000000000000000000004600c02a05,0000000000000100800232169b4925e309d3ffff1f,0,6,46,1,0,4,51,53,-12.229000000000001,-3.915,3,0.0,0.010959101,+,0.8784,-,0.8784,https://www.genome.jp/dbget-bin/www_bget?dr:D08575
4763,D04127, Dalfampridine (USAN), Other nervous system drugs,N07XX07,NERVOUS SYSTEM,c1cnccc1N,94.1145,1.245,28.6414,38.91,8,1,2,NUKYPUAOHBNCPY-UHFFFAOYSA-N,C5H6N2,Nc1ccncc1,"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",-5.1045,-5.104,-1.0590000000000002,-1.0587,-0.9252,-0.7544,0.5547,0.5548,0.8019,0.8021,1.368,D04127_N07XX07,4000000000000000000006000000000000000000008000000000000000000000000000000000802000800008000000400000000000002000000000000000000004000400000000000000000000080000000000000400000040000000000000000000000000800000000000000000040000020000004000000000000002000000,0000000000b021,000040080000000000000000000000000000000000009000000000000000000000000600401000,000000000000000001800800020000015021402817,0,6,7,0,0,0,13,13,-9.136000000000001,0.521,0,,0.002588207,+,0.39899999999999997,-,0.39899999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D04127
4764,D09673, Tafamidis (USAN/INN), Other nervous system drugs,N07XX08,NERVOUS SYSTEM,c12c(ccc(c1)C(=O)O)nc(o2)c1cc(cc(c1)Cl)Cl,308.116,4.4998,76.4243,63.33,9,1,4,TXEIIPDJKFWEEC-UHFFFAOYSA-N,C14H7Cl2NO3,Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O,"InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)",-4.3955,-4.2751,-2.6187,-1.3498,-1.3311,-1.2477,0.6607,0.7349,0.8338,1.0058,2.3075,D09673_N07XX08,00000200400814c00004020104204000000000181404400400000080002000000400580400408062600b06080000244000c040408002200204280442004000000c000c02600002c0000460010484014202a80040040000045008021020410a100002880000040004204000002002040000020110000108000008000002804000,0400000c00b003,00000000000000000000880000000000000100000004b000000000000000000000004640402800,0000000000000021010044c8502590052005835a1f,0,16,12,1,0,2,27,29,-5.067,1.137,0,-1.0,0.000721207,+,0.4768,-,0.4768,https://www.genome.jp/dbget-bin/www_bget?dr:D09673
4765,D09674, Tafamidis meglumine (JAN/USAN), Other nervous system drugs,N07XX08,NERVOUS SYSTEM,c12c(ccc(c1)C(=O)O)nc(o2)c1cc(cc(c1)Cl)Cl,308.116,4.4998,76.4243,63.33,9,1,4,TXEIIPDJKFWEEC-UHFFFAOYSA-N,C14H7Cl2NO3,Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O,"InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)",-4.3986,-4.2684,-2.6189,-1.3492,-1.3308,-1.2482,0.6614,0.7353,0.8337,1.0062,2.3098,D09674_N07XX08,00000200400814c00004020104204000000000181404400400000080002000000400580400408062600b06080000244000c040408002200204280442004000000c000c02600002c0000460010484014202a80040040000045008021020410a100002880000040004204000002002040000020110000108000008000002804000,0400000c00b003,00000000000000000000880000000000000100000004b000000000000000000000004640402800,0000000000000021010044c8502590052005835a1f,0,16,12,1,0,2,27,29,-5.0680000000000005,1.137,0,0.0,0.000720083,+,0.4768,-,0.4768,https://www.genome.jp/dbget-bin/www_bget?dr:D09674
4766,D03846, Dimethyl fumarate (JAN/USAN), Other nervous system drugs,N07XX09,NERVOUS SYSTEM,C(=O)(/C=C/C(=O)OC)OC,144.125,-0.1114,33.052,52.6,12,0,4,LDCRTTXIJACKKU-ONEGZZNKSA-N,C6H8O4,COC(=O)C=CC(=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",-4.7572,-4.7479,-3.2254,-3.2233,-1.3499,-1.3397,0.9227,1.2184,1.2193,1.5319,1.5328,D03846_N07XX09,10000000000000040000000000020000000000000000400000100000001000000000000000000000000a0000000000000000000010002100000000000000020008000800000000000000000000800000019000400000004000000000000000010004000000000000000000000000000000000000000000000000000000000000,04000000302004,100000000000000000009000000000000000000000000000000000000000000000000040436800,00000000000000000000001004000024800812d208,0,0,14,3,0,4,18,17,-11.350999999999999,-0.9059999999999999,0,0.0,,+,0.7926,-,0.7926,https://www.genome.jp/dbget-bin/www_bget?dr:D03846
4767,D08938, Laquinimod sodium (USAN), Other nervous system drugs,N07XX10,NERVOUS SYSTEM,c1cc(c2c(c1)n(c(=O)c(c2O)C(=O)N(c1ccccc1)CC)C)Cl,356.80300000000005,3.5642,100.426,62.54,20,1,5,GKWPCEFFIHSJOE-UHFFFAOYSA-N,C19H17ClN2O3,CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1,"InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3",-4.1498,-3.9358,-3.0282,-2.9142,-1.5325,-1.5244,1.0762,1.0812,1.5179,1.6417,1.7082,D08938_N07XX10,00026280000004c44100060000814000c000088080008408000000c0006004000c00708000208120188f0618000010c0000006000000200804000082000006000c20040040041200020070004e98000200c8014004002805e00818400100000600140002004000026000020002100c00100601000241002008d8800002c00110,0400000402b001,01000000000000000000800032000000c003000000058900000000000000000000004640403000,0000000000000000018450195b251343f0e5bbff1f,0,17,25,2,0,4,42,44,-4.163,2.944,0,0.0,0.542243421,+,0.912,-,0.912,https://www.genome.jp/dbget-bin/www_bget?dr:D08938
4768,D07351, Tilbroquinol (INN), Hydroxyquinoline derivatives,P01AA05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1O)nccc2)C)Br,238.081,3.0113,56.431999999999995,33.12,10,1,2,JMOVFFLYGIQXMM-UHFFFAOYSA-N,C10H8BrNO,Brc1cc(C)c2c(c1O)nccc2,"InChI=1S/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3",-2.0475,-1.9596,-1.0583,-1.002,-0.6491,-0.4588,0.3215,0.3452,0.4809,0.5565,0.8799,D07351_P01AA05,200000090800040000000e00000000000000000040000600000000800004000000004080000080200880000800000040000002000000200000000002000000000c000400400000000100400012080080008000c00400000040080001000000400000200000000002040000000000040000020100004100600888000002400000,0000000402b001,010000000000000000000000000000000000000000119000000000000000000000004600401000,0000000000200000010040401205014120c5a1981f,0,11,11,0,0,0,21,22,-8.883,-0.835,0,-1.0,0.188790277,+,0.2525,-,0.2525,https://www.genome.jp/dbget-bin/www_bget?dr:D07351
4769,D07352, Nimorazole (INN), Nitroimidazole derivatives,P01AB06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1OCC[NH+](C1)CCn1c(cnc1)[N](=O)O,228.248,0.6902,61.5102,81.15,20,2,3,UAOHAIUIYQBDNL-UHFFFAOYSA-O,C9H16N4O3+,O[N](=O)c1cncn1CC[NH+]1CCOCC1,"InChI=1S/C9H15N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2,(H,14,15)/p+1",-6.0294,-5.7058,-4.6165,-4.5694,-4.5631,-4.5227,1.683,1.7282,2.0283,2.0593,2.515,D07352_P01AB06,000a00080000084010004600084200080100000000000440800000800004000000000002000000331000003000000680010020800000400000080000000000101c010c00881c504000000001021001000090004008902008e000000000012014000800000000000000000000c0001800200400c0000020001204000106400000,0100000030f001,008040020400000000000000000000000000000000009800000000000000000000000640c03a00,000080002000814171d436e4ab50e08b5fa76e7d1f,0,5,27,1,0,4,32,33,-12.959000000000001,-4.938,0,0.0,0.000178282,+,0.6054,-,0.6054,https://www.genome.jp/dbget-bin/www_bget?dr:D07352
4770,D07353, Secnidazole (INN), Nitroimidazole derivatives,P01AB07,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c(cnc1C)[N](=O)O)C[C@H](O)C,186.188,0.8951,46.4723,87.71,16,2,3,AGFLNQGLRLSVHU-RXMQYKEDSA-N,C7H12N3O3,CC(Cn1c(C)ncc1[N](=O)O)O,"InChI=1S/C7H12N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3,(H,12,13)/t5-/m1/s1",-5.6972,-4.5962,-2.3363,-1.9362,-1.9228,-1.8293,1.1387,1.1486,1.5426,2.055,2.0709999999999997,D07353_P01AB07,0000000800000840000846000c4000003000001000000440800000c00000000010000004000000231000001000000680000020800000400000080000000000001c800c00800aa24000009000001001000090014008800008e010060000010054000c080000000000000000004000080120040110000030801200000006400000,0100002c00f001,012800000000000000000000000000000000000000009800000000000000000000000640c03a04,000080002000814071d414e4a900cc0b5ea5bafd1b,0,5,19,1,0,3,25,25,-9.79,-1.534,1,0.0,0.012205298,-,0.4507,-,0.4507,https://www.genome.jp/dbget-bin/www_bget?dr:D07353
4771,D07844, Diloxanide (INN), Dichloroacetamide derivatives,P01AC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(ccc(cc1)O)N(C(=O)C(Cl)Cl)C,234.079,2.1587,57.271,40.54,12,1,3,GZZZSOOGQLOEOB-UHFFFAOYSA-N,C9H9Cl2NO2,ClC(C(=O)N(c1ccc(cc1)O)C)Cl,"InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3",-3.7852,-2.7802,-2.1746,-1.7369999999999999,-1.5030000000000001,-1.4971,0.716,0.7175,0.7999,1.0051,1.7128,D07844_P01AC01,0002020000000000010006000480000080000000000004000000000840000000000000000020002000070008000010400000020000000008000100000000040008000000400000000000100022900000008000400400280040080000000000000000000000000002000000000000000000060000002000200800000002400400,0400000402b001,800000000000000000008000120000000000000000010000000000000000000000000200402800,00000000000000000000101840241142704488fa1f,0,6,16,1,0,3,23,23,-9.297,-0.142,0,1.0,0.027569139,-,0.1393,-,0.1393,https://www.genome.jp/dbget-bin/www_bget?dr:D07844
4772,D02480, Diloxanide furoate (USP), Dichloroacetamide derivatives,P01AC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(ccc(cc1)OC(=O)c1ccco1)N(C(=O)C(Cl)Cl)C,328.147,3.2653,78.9145,59.75,15,0,5,BDYYDXJSHYEDGB-UHFFFAOYSA-N,C14H11Cl2NO4,O=C(N(c1ccc(cc1)OC(=O)c1ccco1)C)C(Cl)Cl,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",-5.3912,-3.7714,-2.7807,-2.1699,-1.9201,-1.7364,0.8146,0.9245,1.0004,1.1223,1.7099,D02480_P01AC01,00020210005000c00100060085820000800000081000040480200028400000200412c80000200030000f040800001040000002000000000800010002004006000800080261000101000011002294804000a000402401280040080020004100020800200000000002004000000010000000060000092108200808200002401404,04000000503005,80000000000000000000900012000000000100000000a000000000000000000000000640402800,00000000000000018000149840241166f0498afa1f,0,11,20,2,0,6,32,33,-9.665,-0.452,0,0.0,0.187072501,+,0.55,-,0.55,https://www.genome.jp/dbget-bin/www_bget?dr:D02480
4773,D07354, Clefamide (INN), Dichloroacetamide derivatives,P01AC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(ccc(c1)Oc1ccc(cc1)[N](=O)O)CN(C(=O)C(Cl)Cl)CCO,400.233,3.9263,98.2433,99.43,23,2,4,LRCJAGAJZKEWLF-UHFFFAOYSA-N,C17H17Cl2N2O5,OCCN(C(=O)C(Cl)Cl)Cc1ccc(cc1)Oc1ccc(cc1)[N](=O)O,"InChI=1S/C17H17Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2,(H,24,25)",-5.2901,-4.2843,-3.8844,-3.7216,-2.8742,-2.3367,1.4316,1.7208,2.0559,2.3436,2.3933,D07354_P01AC02,000202040004040001000600040300044000208000002600000000c840000000080040000000002200870008000042c0000082000020000000010002000000301800080041051021000000000288010000800040040020046008000000000014081000020000040200000000801000000006010008010020184080004a000400,0500001c90f001,801804000000000000008000120000000000000000000000000000000000000000000240c02a00,00008000000081407000326ce874716aff6e8f7f1f,0,12,30,2,0,9,43,44,-10.166,-1.811,0,0.0,0.850287735,+,0.5782,-,0.5782,https://www.genome.jp/dbget-bin/www_bget?dr:D07354
4774,D07355, Etofamide (INN), Dichloroacetamide derivatives,P01AC03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(ccc(c1)Oc1ccc(cc1)CN(CCOCC)C(=O)C(Cl)Cl)[N](=O)O,428.286,4.9705,107.781,88.43,27,1,4,LERQTAFRJNOHLD-UHFFFAOYSA-N,C19H21Cl2N2O5,CCOCCN(C(=O)C(Cl)Cl)Cc1ccc(cc1)Oc1ccc(cc1)[N](=O)O,"InChI=1S/C19H21Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3,(H,25,26)",-5.186,-4.341,-3.7968,-3.7575,-2.865,-2.336,1.3927,1.4048,2.0495,2.3596,2.381,D07355_P01AC03,00020204000404000100060004030004410020800000a600000000c840040000080040000000003200870008000042c0000082000020000000010002000000301800080049151021000000000288010000800040040020046008000000000014081000020000040200000000801000000006018008010020184080004a000400,05000000b0f001,818004000000000000008000120000000000000000000000000000000000000000000240c02a00,000080000000814070003068687c7b6afb6e8fff1f,0,12,36,2,0,11,49,50,-10.377,-1.574,0,0.0,0.93555975,+,0.7355,-,0.7355,https://www.genome.jp/dbget-bin/www_bget?dr:D07355
4775,D06051, Teclozan (USAN/INN), Dichloroacetamide derivatives,P01AC04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(ccc(c1)CN(CCOCC)C(=O)C(Cl)Cl)CN(CCOCC)C(=O)C(Cl)Cl,502.259,4.0242,121.604,59.08,34,0,6,MSJLJWCAEPENBL-UHFFFAOYSA-N,C20H28Cl4N2O4,CCOCCN(C(=O)C(Cl)Cl)Cc1ccc(cc1)CN(C(=O)C(Cl)Cl)CCOCC,"InChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3",-3.8962,-3.8768,-3.7165,-3.6941,-2.8784,-2.8745,1.4479,1.4637,2.3549,2.3604,3.3464,D06051_P01AC04,000202000000040001000600040300000100008000008000000000c840040000080040000000001200870008000000800000800000000000000100020000003008000800081400000000000002880080008000400000200040080000000100000010000200000000000000008000000000060180000100000040800048000400,0400000030b001,818000000000000000008000120000000000000000000000000000000000000000000200402800,000000000000000000003048487c3a22a92a1eff1f,0,6,50,2,0,16,58,58,-9.649,-0.027999999999999997,0,1.0,0.897644997,-,1.2176,-,1.2176,https://www.genome.jp/dbget-bin/www_bget?dr:D06051
4776,D07438, Chiniofon (INN), Other agents against amoebiasis and other protozoal diseases,P01AX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1O)nccc2)S(=O)(=O)O)I,351.11800000000005,2.8725,66.3418,95.87,10,2,5,ZBJWWKFMHOAPNS-UHFFFAOYSA-N,C9H6INO4S,Ic1cc(c2c(c1O)nccc2)S(=O)(=O)O,"InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)",-9.6694,-9.6611,-9.1096,-2.5616,-2.0504,-1.9781,1.6377,1.7956,2.4079,2.6039,2.6283,D07438_P01AX01,20000104000024020000020000000008800000c0000000000000000200040000180000980000802028800008400003c0002002000001200000000000000000000c400400400220a0020040024308000000800020042000004008080000000000000220000000010204000000000004000002d000004030608840800542000000,0000000402b001,000000000000000000000000000000000000000000219000000022000000000000004640402800,00000004c080449e1501c14032870149a6cdab581f,0,11,10,2,0,1,22,23,-6.1610000000000005,2.052,0,-1.0,1.8758e-05,+,0.2965,-,0.2965,https://www.genome.jp/dbget-bin/www_bget?dr:D07438
4777,D03985, Emetine hydrochloride (USP), Other agents against amoebiasis and other protozoal diseases,P01AX02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]12c3c(cc(c(c3)OC)OC)CC[N@@H+]1C[C@@H]([C@H](C2)C[C@@H]1c2c(cc(c(c2)OC)OC)CC[NH2+]1)CC,482.655,5.6385,148.976,57.97,46,2,4,AUVVAXYIELKVAI-CKBKHPSWSA-P,C29H42N2O4++,CCC1C[NH+]2CCc3c(C2CC1CC1[NH2+]CCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/p+2/t18-,21-,24+,25-/m0/s1",-6.025,-5.8809,-5.7231,-5.7122,-5.6058,-4.6205,1.8506,1.8532,1.9968,2.0042,2.0668,D03985_P01AX02,00260000000006200a000600020300040000009000403200010000c0000000001080548100400000308020180001020001020200002008002000000200020000088000002104000100002020824800000080815000003008c0080800800800000110002200000402020000c020100000000601100a0110200800004708000000,0100000050f001,070042030400000000000000000000000000000000000000000000000000000000004600c02204,000000000000010080003a169a49abe305fbfffd1f,0,12,69,0,0,7,77,81,-13.965,-5.916,5,0.0,0.0031329590000000003,+,2.2443,-,2.2443,https://www.genome.jp/dbget-bin/www_bget?dr:D03985
4778,D07359, Phanquinone (INN), Other agents against amoebiasis and other protozoal diseases,P01AX04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12C(=O)C(=O)c3c(c1cccn2)cccn3,210.188,1.5226,56.129,59.92,10,0,4,VLPADTBFADIFKG-UHFFFAOYSA-N,C12H6N2O2,O=C1c2ncccc2c2c(C1=O)nccc2,InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H,-3.2426,-3.2421,-2.5959,-2.5959,-1.7978,-1.7978,1.7235,1.8624,1.8624,1.8701,1.8701,D07359_P01AX04,000500200070008003008200048040004000000040020048810108800108841014004000006080300082120800030040030020000820200404000006000002000400048201008261000a30000088000100108040048018084000080000084004000000000100000008800004201006001002001000410000010800000a20001a,14000000003001,000000000000010000000000000000000001000000009000000000000000000000004640400000,0000000000000000810000401301804180e1a14a1f,0,12,10,2,0,0,22,24,-10.125,-1.804,0,0.0,0.09692092199999999,+,0.5687,+,0.5687,https://www.genome.jp/dbget-bin/www_bget?dr:D07359
4779,D08179, Mepacrine (INN), Other agents against amoebiasis and other protozoal diseases,P01AX05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)c(c1c(n2)ccc(c1)OC)N[C@H](CCC[NH+](CC)CC)C)Cl,400.965,4.6283,122.666,38.59,34,2,3,GPKJTRJOBQGKQK-INIZCTEOSA-O,C23H31ClN3O+,CC[NH+](CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/p+1/t16-/m0/s1",-6.0388,-4.8918,-4.5603,-4.5586,-4.5346,-3.1354,1.4554,1.5796,1.587,1.5933,1.8406,D08179_P01AX05,400242000000040000000600008200008000001000800400000000000060000010001080000080200881041800001040010202000000200800000000000004000c0004004100020100004000260800020088034004002000c008000000002000080000200080080a0020000000100c2000060000084010200800000102c00100,0100000050f021,030042820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807216da4d2fe37573ddbd1f,0,16,45,0,0,9,59,61,-10.373,-3.964,1,2.0,0.470528066,+,1.0409,-,1.0409,https://www.genome.jp/dbget-bin/www_bget?dr:D08179
4780,D02548, Mepacrine dihydrochloride, Other agents against amoebiasis and other protozoal diseases,P01AX05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)c(c1c(n2)ccc(c1)OC)N[C@H](CCC[NH+](CC)CC)C)Cl,400.965,4.6283,122.666,38.59,34,2,3,GPKJTRJOBQGKQK-INIZCTEOSA-O,C23H31ClN3O+,CC[NH+](CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/p+1/t16-/m0/s1",-6.0212,-4.9195,-4.5907,-4.5501,-4.5398,-3.1617,1.5748,1.5766,1.5843,1.7416,1.8531,D02548_P01AX05,400242000000040000000600008200008000001000800400000000000060000010001080000080200881041800001040010202000000200800000000000004000c0004004100020100004000260800020088034004002000c008000000002000080000200080080a0020000000100c2000060000084010200800000102c00100,0100000050f021,030042820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807216da4d2fe37573ddbd1f,0,16,45,0,0,9,59,61,-10.370999999999999,-3.9619999999999997,1,0.0,0.47015348100000004,+,1.0409,-,1.0409,https://www.genome.jp/dbget-bin/www_bget?dr:D02548
4781,D00236, Atovaquone (JAN/USP/INN), Other agents against amoebiasis and other protozoal diseases,P01AX06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1(=C(C(=O)c2c(C1=O)cccc2)O)[C@@H]1CC[C@H](CC1)c1ccc(cc1)Cl,366.837,5.5051,102.04,54.37,22,1,3,KUCQYCKVKVOKAY-CTYIDZIISA-N,C22H19ClO3,Clc1ccc(cc1)C1CCC(CC1)C1=C(O)C(=O)c2c(C1=O)cccc2,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-",-3.1432,-3.1387,-1.7604,-1.4649,-0.9512,-0.9398,0.7006,0.8786,0.9082,1.1033,1.3132,D00236_P01AX06,00040200000002a40208020002400000000000800040440001000084002020001400400000c00001c003021800014001010800000020350200001002040400080800080020040400000020002c80028600d800400000100840089800000800810304000081000020028080004000000000020100020700000008000100800100,1400000d00b001,06000000000001008000000000000000c001000000040000000000000000000000004240407804,000000000000022080084005540520c0a1c4a7521e,0,12,33,3,0,2,45,48,-9.802999999999999,-1.5119999999999998,0,0.0,0.944978476,+,1.739,-,1.739,https://www.genome.jp/dbget-bin/www_bget?dr:D00236
4782,D06238, Trimetrexate (USAN/INN), Other agents against amoebiasis and other protozoal diseases,P01AX07,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(NCc2ccc3c(c2C)c(nc(n3)N)N)cc(c(c(c1)OC)OC)OC,369.418,3.9759,106.58200000000001,117.54,31,3,8,NOYPYLRCIDNJJB-UHFFFAOYSA-N,C19H23N5O3,COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",-6.7821,-5.1344,-5.0781,-5.0738,-4.9192,-4.8483,2.1117,2.353,2.536,3.4707,3.4713,D06238_P01AX07,e00202002000044008004600088340008000008040000400000000800000040000006000400881202880000c00001240002c22000000600804000002800004000c800c0041000001000060082248000000d000400400200140080000000100000818000200a00042004000000c10040200060d98080100200888008003400000,0000000050b021,010042880000000000000000000000010000000000009000000000000000000000004600403800,000000012000100081900a111b03896154f1f3fd1f,0,17,35,0,0,6,50,52,-8.28,-0.40299999999999997,0,1.0,0.34807071100000003,+,1.1151,-,1.1151,https://www.genome.jp/dbget-bin/www_bget?dr:D06238
4783,D06239, Trimetrexate glucuronate (USAN), Other agents against amoebiasis and other protozoal diseases,P01AX07,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(NCc2ccc3c(c2C)c(nc(n3)N)N)cc(c(c(c1)OC)OC)OC,369.418,3.9759,106.58200000000001,117.54,31,3,8,NOYPYLRCIDNJJB-UHFFFAOYSA-N,C19H23N5O3,COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",-6.7565,-5.1296,-5.114,-5.0933,-4.9235,-4.8548,2.1219,2.3535,2.542,3.4697,3.4746,D06239_P01AX07,e00202002000044008004600088340008000008040000400000000800000040000006000400881202880000c00001240002c22000000600804000002800004000c800c0041000001000060082248000000d000400400200140080000000100000818000200a00042004000000c10040200060d98080100200888008003400000,0000000050b021,010042880000000000000000000000010000000000009000000000000000000000004600403800,000000012000100081900a111b03896154f1f3fd1f,0,17,35,0,0,6,50,52,-8.276,-0.402,0,1.0,0.34797325700000004,+,1.1151,-,1.1151,https://www.genome.jp/dbget-bin/www_bget?dr:D06239
4784,D07360, Tenonitrozole (INN), Other agents against amoebiasis and other protozoal diseases,P01AX08,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C(=O)(Nc1sc(cn1)[N](=O)O)c1sccc1,256.282,2.8527,61.4467,148.13,11,2,5,JJCIQAGDLKQOLA-UHFFFAOYSA-N,C8H6N3O3S2,O=C(c1cccs1)Nc1ncc(s1)[N](=O)O,"InChI=1S/C8H6N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,13,14)(H,9,10,12)",-5.6797,-4.756,-4.5891,-3.6813,-2.7438,-2.596,1.7019,1.7476,1.8405,1.8688,2.043,D07360_P01AX08,0013c10c0010008001204e000843000004040090000000008411008c00000002040041100048006080861048001002000800a40011002000884010120010010114001c401220000022000002108803a880040150000a3000a2000020000100940898025280810084000400000000000020160000000108021008004042422300,0500000000f001,0000000000000000000080000a000000000120000000d000000000000000000000000640c02a00,000080000840814071d085a82122d00bd6254a6a1b,0,10,11,2,0,4,22,23,-10.189,-2.0540000000000003,0,-2.0,0.25144940600000004,+,1.2252,-,1.2252,https://www.genome.jp/dbget-bin/www_bget?dr:D07360
4785,D00828, Dehydroemetine (INN), Other agents against amoebiasis and other protozoal diseases,P01AX09,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1(c2c(cc(c(c2)OC)OC)CC[NH2+]1)CC1=C(C[N@@H+]2[C@H](c3cc(OC)c(OC)cc3CC2)C1)CC,480.639,5.7027,148.502,57.97,44,2,4,XXLZPUYGHQWHRN-RPBOFIJWSA-P,C29H40N2O4++,CCC1=C(CC2[NH2+]CCc3c2cc(OC)c(c3)OC)CC2[NH+](C1)CCc1c2cc(c(c1)OC)OC,"InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/p+2/t24-,25+/m1/s1",-6.0431,-5.9475,-5.9043,-5.7096,-5.7058,-5.5279,1.9114,1.9822,1.9906,2.0228,2.0432,D00828_P01AX09,00260102000006240a040600020300040000009000427a00010000c0000020001080548100c00000308020180001020001020200022008006001000200020020088300002104000100002120824902000080814100003008ca081800800800000314002200001c02020000c020100000000611100a0110200880004f18000000,0100000050f001,130042030400000000000000000000000000000000000000000000000000000000004600c02204,000000000000030080083a169e49abe305fbfffd1f,0,12,66,1,0,7,75,79,-13.925999999999998,-6.056,3,,0.0018942829999999999,+,2.289,-,2.289,https://www.genome.jp/dbget-bin/www_bget?dr:D00828
4786,D02486, Nitazoxanide (USAN/INN), Other agents against amoebiasis and other protozoal diseases,P01AX11,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(NC(=O)c2ccccc2OC(=O)C)sc(cn1)[N](=O)O,308.29,2.7165,75.0687,146.19,17,2,6,WSKZIJADEPRGMM-UHFFFAOYSA-N,C12H10N3O5S,CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N](=O)O,"InChI=1S/C12H10N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,18,19)(H,13,14,17)",-5.6766,-4.5909,-4.4026,-3.6331,-2.8012,-2.7369,1.3901,1.423,1.6935,1.7471,2.044,D02486_P01AX11,0013011c0010048401204e000843000005050090000800008011008c000000000400410000480070808e1208400002000000a2001100000080c01012000002001c201c0013200101020000020288832820840150000a30086208002000090094089c025200810082000502000010000020160100080108201808000002422304,0500000050f005,0100000000000000000090000a000000400120000000d000000000000000000000000640c02a01,000080000840814071d085a92122d16fd6edeafa1f,0,11,18,3,0,6,31,32,-10.245,-2.095,0,2.0,0.280812085,-,0.9721,-,0.9721,https://www.genome.jp/dbget-bin/www_bget?dr:D02486
4787,D02366, Chloroquine (USP/INN), Aminoquinolines,P01BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N([C@@H](CCC[NH+](CC)CC)C)c1c2c(ncc1)cc(cc2)Cl,320.88,3.4665,98.6684,29.36,29,2,2,WHTVZRBIWZFKQO-CQSZACIVSA-O,C18H27ClN3+,CC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+1/t14-/m1/s1",-6.0482,-4.92,-4.5604,-4.5478,-4.546,-3.1542,1.4405,1.5785,1.59,1.5961,1.839,D02366_P01BA01,40024200000004000000060000800000800000100080000000000000006000001000108000008020088104180000104001020000000020080000000000000400040004004000020000004000060800020088034004002000c00800000000200000000020008000080020000000000c2000060000004010000000000102c00100,0100000000f021,030040820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807206da4d2e8375335dad17,0,11,39,0,0,8,49,50,-10.737,-4.025,1,,0.0018624960000000002,+,0.6897,-,0.6897,https://www.genome.jp/dbget-bin/www_bget?dr:D02366
4788,D02125, Chloroquine phosphate (USP), Aminoquinolines,P01BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N([C@@H](CCC[NH+](CC)CC)C)c1c2c(ncc1)cc(cc2)Cl,320.88,3.4665,98.6684,29.36,29,2,2,WHTVZRBIWZFKQO-CQSZACIVSA-O,C18H27ClN3+,CC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+1/t14-/m1/s1",-6.045,-4.8814,-4.5636,-4.5572,-4.5521,-3.1630000000000003,1.4438,1.5752,1.5863,1.5986,1.8386,D02125_P01BA01,40024200000004000000060000800000800000100080000000000000006000001000108000008020088104180000104001020000000020080000000000000400040004004000020000004000060800020088034004002000c00800000000200000000020008000080020000000000c2000060000004010000000000102c00100,0100000000f021,030040820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807206da4d2e8375335dad17,0,11,39,0,0,8,49,50,-10.732999999999999,-4.025,1,0.0,0.001863082,+,0.6897,-,0.6897,https://www.genome.jp/dbget-bin/www_bget?dr:D02125
4789,D03469, Chloroquine hydrochloride (USP), Aminoquinolines,P01BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N([C@@H](CCC[NH+](CC)CC)C)c1c2c(ncc1)cc(cc2)Cl,320.88,3.4665,98.6684,29.36,29,2,2,WHTVZRBIWZFKQO-CQSZACIVSA-O,C18H27ClN3+,CC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+1/t14-/m1/s1",-6.0356,-4.9534,-4.5466,-4.5441,-4.5371,-3.1543,1.4519,1.5824,1.5865,1.5907,1.8378,D03469_P01BA01,40024200000004000000060000800000800000100080000000000000006000001000108000008020088104180000104001020000000020080000000000000400040004004000020000004000060800020088034004002000c00800000000200000000020008000080020000000000c2000060000004010000000000102c00100,0100000000f021,030040820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807206da4d2e8375335dad17,0,11,39,0,0,8,49,50,-10.732999999999999,-4.024,1,,0.001861964,+,0.6897,-,0.6897,https://www.genome.jp/dbget-bin/www_bget?dr:D03469
4790,D07680, Chloroquine sulfate, Aminoquinolines,P01BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N([C@@H](CCC[NH+](CC)CC)C)c1c2c(ncc1)cc(cc2)Cl,320.88,3.4665,98.6684,29.36,29,2,2,WHTVZRBIWZFKQO-CQSZACIVSA-O,C18H27ClN3+,CC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+1/t14-/m1/s1",-6.0414,-4.9403,-4.5643,-4.5438,-4.5174,-3.1542,1.4304,1.5759999999999998,1.5857,1.5993,1.8395,D07680_P01BA01,40024200000004000000060000800000800000100080000000000000006000001000108000008020088104180000104001020000000020080000000000000400040004004000020000004000060800020088034004002000c00800000000200000000020008000080020000000000c2000060000004010000000000102c00100,0100000000f021,030040820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000010001807206da4d2e8375335dad17,0,11,39,0,0,8,49,50,-10.74,-4.023,1,-1.0,0.001864094,+,0.6897,-,0.6897,https://www.genome.jp/dbget-bin/www_bget?dr:D07680
4791,D08050, Hydroxychloroquine (INN), Aminoquinolines,P01BA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)c(ccn2)N[C@@H](CCC[N@@H+](CCO)CC)C)Cl,336.879,2.4389,99.8302,49.59,30,3,3,XXSMGPRMXLTPCZ-CQSZACIVSA-O,C18H27ClN3O+,OCC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1",-6.0088,-4.8752,-4.5808,-4.5072,-4.5044,-3.105,1.5525,1.5787,1.5927,1.8253,2.2094,D08050_P01BA02,400242000000040000000600008000008000001000800000000000000060000010001080000080220881041800001040010200000000200800000000000004100c000c0040000a0000004000060800020088034004002000c00800000000200000000020008000080020000080000c2000060000004010000000000102c00100,0100001c00f021,031840820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000210001807246da5d2e837d275dbd1f,0,11,40,0,0,9,50,51,-10.787,-4.198,2,0.0,0.039172046,-,0.8367,-,0.8367,https://www.genome.jp/dbget-bin/www_bget?dr:D08050
4792,D02114, Hydroxychloroquine sulfate (JAN/USP), Aminoquinolines,P01BA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N([C@@H](CCC[N@@H+](CCO)CC)C)c1c2c(ncc1)cc(cc2)Cl,336.879,2.4389,99.8302,49.59,30,3,3,XXSMGPRMXLTPCZ-CQSZACIVSA-O,C18H27ClN3O+,OCC[NH+](CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1",-6.0114,-4.9315,-4.579,-4.5142,-4.5058,-3.1549,1.5608,1.5941,1.6002,1.8381,1.8882,D02114_P01BA02,400242000000040000000600008000008000001000800000000000000060000010001080000080220881041800001040010200000000200800000000000004100c000c0040000a0000004000060800020088034004002000c00800000000200000000020008000080020000080000c2000060000004010000000000102c00100,0100001c00f021,031840820400000000000000000000000000000000049000000000000000000000004600c03204,000000000000210001807246da5d2e837d275dbd1f,0,11,40,0,0,9,50,51,-10.788,-4.198,2,1.0,0.035697144,-,0.8518,-,0.8518,https://www.genome.jp/dbget-bin/www_bget?dr:D02114
4793,D08420, Primaquine (INN), Aminoquinolines,P01BA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(c2c(cc(c1)OC)cccn2)N[C@H](CCC[NH3+])C,260.355,2.1389,80.7338,61.79,25,2,3,INDBQLZJXZLFIT-NSHDSACASA-O,C15H22N3O+,COc1cc(NC(CCC[NH3+])C)c2c(c1)cccn2,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1/t11-/m0/s1",-5.4027,-5.3612,-5.3492,-4.8278,-4.2515,-3.963,1.7303,1.8384,1.8714,2.6915,2.7722,D08420_P01BA03,800202000000040000004600008200008000001000040000000010000220000010000080000080200880001800001040012402000000200800000000800004000c0004004100020100004008060800000080034004002000c0080000000020000000000000000802102000080010042020060000084010200800008102400000,0100000050f021,0300c2800400000000000000000000000000000000009000000000000000000000004600c02204,0000000000000100014002169b492d615461d5bd1f,0,11,31,0,0,6,41,42,-10.770999999999999,-4.125,1,-1.0,0.00041190599999999997,-,0.6159,-,0.6159,https://www.genome.jp/dbget-bin/www_bget?dr:D08420
4794,D02126, Primaquine phosphate (JAN/USP), Aminoquinolines,P01BA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1)cccn2)N[C@H](CCC[NH3+])C)OC,260.355,2.1389,80.7338,61.79,25,2,3,INDBQLZJXZLFIT-NSHDSACASA-O,C15H22N3O+,COc1cc(NC(CCC[NH3+])C)c2c(c1)cccn2,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1/t11-/m0/s1",-5.3957,-5.3856,-5.3228,-4.8315,-4.2582,-3.4588,1.7561,1.8003,1.8618,2.7110000000000003,2.7854,D02126_P01BA03,800202000000040000004600008200008000001000040000000010000220000010000080000080200880001800001040012402000000200800000000800004000c0004004100020100004008060800000080034004002000c0080000000020000000000000000802102000080010042020060000084010200800008102400000,0100000050f021,0300c2800400000000000000000000000000000000009000000000000000000000004600c02204,0000000000000100014002169b492d615461d5bd1f,0,11,31,0,0,6,41,42,-10.76,-4.125,1,0.0,0.0006775660000000001,-,0.6159,-,0.6159,https://www.genome.jp/dbget-bin/www_bget?dr:D02126
4795,D02922, Amodiaquine (USAN/INN), Aminoquinolines,P01BA06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(Nc3cc(C[NH+](CC)CC)c(cc3)O)ccnc1cc(cc2)Cl,356.869,3.8351,106.667,49.59,26,3,2,OVCDSSHSILBFBN-UHFFFAOYSA-O,C20H23ClN3O+,CC[NH+](Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)/p+1",-6.0309,-5.8395,-4.5844,-4.5794,-3.3992,-2.06,1.5804,1.585,1.845,1.8675,2.0580000000000003,D02922_P01BA06,400242000000040400000600008140008000008000800402000000c00060040000004080000080200881040800000041000002000200200800000002000004000c20040040040000000040002608000200880040040030005008100000208000001400021080000a0000000800000c0000060100004100200800000002800110,0100000402f021,010040120400000000000000000000000000000000059000000000000000000000004600c03200,0000000000001100018072065b050b4374e7f9bd1f,0,17,33,0,0,6,48,50,-10.802,-4.213,0,,0.093803115,+,0.6423,-,0.6423,https://www.genome.jp/dbget-bin/www_bget?dr:D02922
4796,D02466, Amodiaquine hydrochloride (USP), Aminoquinolines,P01BA06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(Nc3cc(C[NH+](CC)CC)c(cc3)O)ccnc1cc(cc2)Cl,356.869,3.8351,106.667,49.59,26,3,2,OVCDSSHSILBFBN-UHFFFAOYSA-O,C20H23ClN3O+,CC[NH+](Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)/p+1",-6.0124,-5.8471,-4.5913,-4.5842,-3.4173,-2.0864,1.5855,1.5866,1.8548,1.8555,2.0683,D02466_P01BA06,400242000000040400000600008140008000008000800402000000c00060040000004080000080200881040800000041000002000200200800000002000004000c20040040040000000040002608000200880040040030005008100000208000001400021080000a0000000800000c0000060100004100200800000002800110,0100000402f021,010040120400000000000000000000000000000000059000000000000000000000004600c03200,0000000000001100018072065b050b4374e7f9bd1f,0,17,33,0,0,6,48,50,-10.800999999999998,-4.213,0,,0.093720377,+,0.6423,-,0.6423,https://www.genome.jp/dbget-bin/www_bget?dr:D02466
4797,D08428, Proguanil (INN), Biguanides,P01BB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(N/C(=[NH]/C(=[NH]/C(C)C)/N)/N)ccc(cc1)Cl,255.747,3.6917,74.6959,111.77,23,5,3,LLAYQCUIAAWIIM-XANSYPEMSA-N,C11H18ClN5,CC([NH]=C([NH]=C(Nc1ccc(cc1)Cl)N)N)C,"InChI=1S/C11H18ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7,15-17H,13-14H2,1-2H3/b15-10?,17-11-",-12.4493,-11.8984,-10.8007,-9.8872,-9.4478,-6.5174,4.0921,4.7538,5.016,5.4662,5.5952,D08428_P01BB01,00400206000000000000060090802000802000000000084000000100002050001000000000000130000900280400124000000000000000080000000000080600000000004000000008000000040000020088004034002010420800000000000001200001000000000000000000000002000e0000000000001000000002800000,0000000000b001,010040010000000000000000000000000040000000040000000000000000000000000240403800,000000010004100000b2480040064000742050a817,0,6,27,2,0,4,35,35,-20.622,-18.105999999999998,0,1.0,2.2687800000000003e-17,+,0.5347,-,0.5347,https://www.genome.jp/dbget-bin/www_bget?dr:D08428
4798,D02487, Proguanil hydrochloride (JAN), Biguanides,P01BB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(N/C(=[NH]/C(=[NH]\C(C)C)/N)/N)ccc(cc1)Cl,255.747,3.6917,74.6959,111.77,23,5,3,LLAYQCUIAAWIIM-UHFFFAOYSA-N,C11H18ClN5,CC([NH]=C([NH]=C(Nc1ccc(cc1)Cl)N)N)C,"InChI=1S/C11H18ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7,15-17H,13-14H2,1-2H3",-12.3962,-11.9316,-10.8255,-9.8914,-9.4395,-6.5371,4.7039,4.7664,5.1085,5.4206,5.4844,D02487_P01BB01,00400206000000000000060090802000802000000000084000000100002050001000000000000130000900280400124000000000000000080000000000080600000000004000000008000000040000020088004034002010420800000000000001200001000000000000000000000002000e0000000000001000000002800000,0000000000b001,010040010000000000000000000000000040000000040000000000000000000000000240403800,000000010004100000b2480040064000742050a817,0,6,27,2,0,4,35,35,-20.603,-18.122,0,-1.0,2.2294899999999997e-17,+,0.5347,-,0.5347,https://www.genome.jp/dbget-bin/www_bget?dr:D02487
4799,D02387, Cycloguanil pamoate (USAN), Biguanides,P01BB02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.3971,-4.3951,-4.2898,-4.2553,-2.4003,-2.0575,1.7881,2.0245,2.3139,2.3465,2.3547,D02387_P01BB02,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.529,4.373,0,-1.0,5.95528e-08,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D02387
4800,D02472, Atovaquone - proguanil hydrochloride mi, Biguanides,P01BB51,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1(=C(C(=O)c2c(C1=O)cccc2)O)[C@H]1CC[C@H](CC1)c1ccc(cc1)Cl,366.837,5.5051,102.04,54.37,22,1,3,KUCQYCKVKVOKAY-OTVXOJSOSA-N,C22H19ClO3,Clc1ccc(cc1)C1CCC(CC1)C1=C(O)C(=O)c2c(C1=O)cccc2,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15+",-3.1609,-3.155,-1.895,-1.5293,-0.958,-0.9420000000000001,0.7047,0.8821,0.9091,1.1037,1.3692,D02472_P01BB51,00040200000002a40208020002400000000000800040440001000084002020001400400000c00001c003021800014001010800000020350200001002040400080800080020040400000020002c80028600d800400000100840089800000800810304000081000020028080004000000000020100020700000008000100800100,1400000d00b001,06000000000001008000000000000000c001000000040000000000000000000000004240407804,000000000000022080084005540520c0a1c4a7521e,0,12,33,3,0,2,45,48,-9.806000000000001,-1.514,0,-1.0,0.94496876,+,1.739,-,1.739,https://www.genome.jp/dbget-bin/www_bget?dr:D02472
4801,D08460, Quinine (BAN), Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-FOEVPDMQSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0275,-4.5692,-4.566,-4.5217,-2.9025,-2.251,1.5459,1.5586,1.5657,1.6551,1.9612,D08460_P01BC01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.568,-3.813,5,6.0,0.00137466,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D08460
4802,D01663, Quinine ethylcarbonate (JP17), Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)OC(=O)OCC)ccnc1ccc(c2)OC,397.48699999999997,4.5061,116.71600000000001,62.09,34,1,5,NSBRKSWSLRQPJW-VYXDICFBSA-O,C23H29N2O4+,CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CC[NH+]1CC2C=C,"InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/p+1/t15-,16+,21-,22+/m0/s1",-6.0165,-5.6456,-4.5686,-4.5382,-4.4521,-4.0242,1.6889,1.8301,1.8963,2.0174,2.1965,D01663_P01BC01,20260000000026640200060002020004010000b400005200002000c000200000100050810000803338882018000100400102020000a0610000000002410086100c002c02411408010000e10006880098008001500400300ce8081800800960000004002800180c0200c0000080100c08000701400a4310200808000902000000,0100000070f001,17004202040000000000000000000000004800000000900000000000000000000000c600c03204,0040000002000100010032549e53a3e7016bdfff1f,0,11,48,2,0,8,58,61,-11.55,-3.8710000000000004,5,0.0,0.06201984,+,1.3675,-,1.3675,https://www.genome.jp/dbget-bin/www_bget?dr:D01663
4803,D02261, Quinine hydrochloride hydrate (JP17), Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-FOEVPDMQSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0472,-4.574,-4.5482,-4.4524,-2.8956,-2.2526,1.4777,1.5306,1.5590000000000002,1.5677,1.9561,D02261_P01BC01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.57,-3.821,5,-1.0,0.001243993,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D02261
4804,D02262, Quinine sulfate (USP), Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@@H+]4C[C@@H]([C@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-WZBLMQSHSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19-,20+/m0/s1",-6.0484,-4.563,-4.5615,-4.4642,-2.8986,-2.2472,1.476,1.5363,1.5583,1.5669,1.9504,D02262_P01BC01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.568,-3.812,5,,0.0013741089999999999,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D02262
4805,D05681, Quinine ascorbate (USAN), Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-FOEVPDMQSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0477,-4.5729,-4.5466,-4.4551,-2.8881,-2.2491,1.4771,1.5319,1.5621,1.5647,1.955,D05681_P01BC01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.57,-3.822,5,0.0,0.015952114,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D05681
4806,D08461, Quinine dihydrochloride, Methanolquinolines,P01BC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([C@H]([C@H]3[N@H+]4C[C@@H]([C@@H](C3)CC4)C=C)O)ccnc1ccc(c2)OC,325.425,3.3253,100.698,46.79,28,2,3,LOUPRKONTZGTKE-FOEVPDMQSA-O,C20H25N2O2+,C=CC1C[NH+]2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14+,19-,20+/m0/s1",-6.0272,-4.5764,-4.5625,-4.515,-2.9027,-2.2449,1.5458,1.5585,1.568,1.6881,1.9522,D08461_P01BC01,202600000000066402000600020200040000009000005200000000800020000010005081000080233880201800010040010202000020610000000002000000100c000c00410408010000e000060800980080015004003008c8081800800940000004002000000c0200c0000080100c00000601400a4110200808000902000000,0100002c50f001,16284202040000000000000000000000000000000000900000000000000000000000c600c03204,0000000002002100010032569e41a1e30567cdf91f,0,11,40,1,0,4,49,52,-11.567,-3.813,5,-1.0,0.0013763520000000002,-,1.0461,-,1.0461,https://www.genome.jp/dbget-bin/www_bget?dr:D08461
4807,D04895, Mefloquine (USAN/INN), Methanolquinolines,P01BC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(c(cc(n2)C(F)(F)F)[C@H]([C@@H]2CCCC[NH2+]2)O)cccc1C(F)(F)F,379.32,4.9909,87.4752,49.73,19,2,2,XEEQGYMUWCZPDN-SWLSCSKDSA-O,C17H17F6N2O+,OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCC[NH2+]1,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/p+1/t12-,15+/m0/s1",-5.7112,-5.6759,-4.4077,-4.3318,-4.1944,-4.1936,1.7733,1.8256,1.9637,2.0386,3.1959,D04895_P01BC02,202600000000164002000600060000041000009040010008000000c00220040010004081000080233880201800010040010200400020600000000002200000100c000c0240001a000080e00102080098028801500400300cf00808008009400000000020004c000000c00000a0100c0010060550024110000008050102000000,0100002c00f001,022940010400000000000000000000000000000000009000000000000000000000004600e03204,000000000002210001000a469ac7a0812525c5391f,6,11,34,0,0,4,43,45,-12.782,-4.314,2,,0.023249792000000002,-,1.4554,-,1.4554,https://www.genome.jp/dbget-bin/www_bget?dr:D04895
4808,D00831, Mefloquine hydrochloride (JP17/USP), Methanolquinolines,P01BC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(c(cc(n2)C(F)(F)F)[C@H]([C@@H]2CCCC[NH2+]2)O)cccc1C(F)(F)F,379.32,4.9909,87.4752,49.73,19,2,2,XEEQGYMUWCZPDN-SWLSCSKDSA-O,C17H17F6N2O+,OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCC[NH2+]1,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/p+1/t12-,15+/m0/s1",-5.7089,-5.6775,-4.4099,-4.3368,-4.1985,-4.1933,1.7686,1.8253,1.9699,2.0388,3.1917,D00831_P01BC02,202600000000164002000600060000041000009040010008000000c00220040010004081000080233880201800010040010200400020600000000002200000100c000c0240001a000080e00102080098028801500400300cf00808008009400000000020004c000000c00000a0100c0010060550024110000008050102000000,0100002c00f001,022940010400000000000000000000000000000000009000000000000000000000004600e03204,000000000002210001000a469ac7a0812525c5391f,6,11,34,0,0,4,43,45,-12.787,-4.311,2,0.0,0.023253696,-,1.4554,-,1.4554,https://www.genome.jp/dbget-bin/www_bget?dr:D00831
4809,D00488, Pyrimethamine (JAN/USP/INN), Diaminopyrimidines,P01BD01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(c2ccc(cc2)Cl)c(nc(nc1N)N)CC,248.71099999999998,3.6862,71.0598,77.82,17,2,4,WKSAUQYGYAYLPV-UHFFFAOYSA-N,C12H13ClN4,CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",-6.7569,-5.169,-5.1602,-5.109,-5.0819,-4.8506,2.1271,2.3609999999999998,2.532,3.4644,3.4668,D00488_P01BD01,e000022100080040030046000c4001004000000000020400000208800120840010014000404880200001000c000000000000204000004004002000020008020004000c80000002200000300004000002009800400480000040080c00000140000008080000a00000084000000c00000710060d48800100000108000002800000,0000000000b021,030000080000000000000000000000010000000000049000000000000000000000000600403800,0000000120001020019048044246820174a161ac17,0,12,19,0,0,2,30,31,-8.847999999999999,0.01,0,,0.274205863,+,0.5956,-,0.5956,https://www.genome.jp/dbget-bin/www_bget?dr:D00488
4810,D02448, Pyrimethamine - sulfadoxine mixt, Diaminopyrimidines,P01BD51,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(c(c(ncn1)OC)OC)NS(=O)(=O)c1ccc(cc1)N,310.329,2.6118,76.5341,124.81,22,2,8,PJSFRIWCGOHTNF-UHFFFAOYSA-N,C12H14N4O4S,COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",-9.3755,-9.3458,-9.3228,-5.1062,-5.1048,-4.4895,2.4212,2.7575,2.8315,2.9171,3.9411,D02448_P01BD51,e00021080040004008004620080600044c0000080000021000020000000a000008004008440084200018201a000002c0016024000000400008000008002008042cc03c004400288101000008004404000090042004200000400800a000410080080800000081000004400000120000800006b8080a0400611820808016400000,0000000050b021,000042080000000000000000000004010000000000009000000024000000000000000640403800,000000802100449e9591897823a29169d6e9fbf81f,0,12,22,2,0,5,35,36,-9.533999999999999,-1.227,0,0.0,0.039433189,+,0.5729,-,0.5729,https://www.genome.jp/dbget-bin/www_bget?dr:D02448
4811,D02481, Artemisinin (INN)," Artemisinin and derivatives, plain",P01BE01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@]123[C@H]4O[C@](OO3)(CC[C@H]2[C@@H](CC[C@H]1[C@H](C(=O)O4)C)C)C,282.332,2.3949,70.37899999999999,53.99,27,0,5,BLUAFEHZUWYNDE-NNWCWBAJSA-N,C15H22O5,O=C1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3,"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1",-4.3642,-3.2023,-3.1260000000000003,-2.665,-2.0277,-1.5476,1.008,1.2102,1.2895,1.4682,1.7774,D02481_P01BE01,00000000050022200200000000020008200000240402400000000800000400001000000800800005100a0700204001010100000000a0401210040000000092002890280000040000800280022d9010040090014020000440a00000000000200000200048002880040100000000002880000b01002005000000002401c0140500,04000000302405,07000000000800400300a00000000000000000000000000000000000000000000000e400400805,0000040000000001820000013289accc0959b7d21c,0,0,44,1,0,0,42,45,-10.636,0.14,7,0.0,0.23006670199999998,+,1.1672,-,1.1672,https://www.genome.jp/dbget-bin/www_bget?dr:D02481
4812,D02483, Artemether (JAN/USAN/INN)," Artemisinin and derivatives, plain",P01BE02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@]123[C@H]4O[C@](OO3)(CC[C@H]2[C@@H](CC[C@H]1[C@H]([C@H](O4)OC)C)C)C,298.375,2.8408,76.071,46.15,31,0,5,SXYIRMFQILZOAM-HVNFFKDJSA-N,C16H26O5,COC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",-3.1576,-3.127,-3.0522,-2.7296,-2.6285,-1.5905,0.9564,1.2081,1.4968,1.6874,1.7382,D02483_P01BE02,0000000005002220000000000002000820000024040240000000080000040000100010080080020550000200204011010100000000a040121000000000009000289028000004000080028002051010000080014020000440a00000000000200000000048002880040100000000002880000101000000000000002401c0140000,00000000302401,07000000000880400000000000000000000000000000000000000000000000000000e432402004,0000040000000001820000113289acec0959b7d01c,0,0,50,0,0,1,47,50,-10.191,0.56,8,1.0,0.313297153,+,1.3953,-,1.3953,https://www.genome.jp/dbget-bin/www_bget?dr:D02483
4813,D02482, Artesunate (USAN)," Artemisinin and derivatives, plain",P01BE03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@]123[C@H]4O[C@](OO3)(CC[C@H]2[C@@H](CC[C@H]1[C@H]([C@@H](O4)OC(=O)CCC(=O)O)C)C)C,384.421,2.6024,92.4638,100.52,35,1,8,FIHJKUPKCHIPAT-AHIGJZGOSA-N,C19H28O8,OC(=O)CCC(=O)OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3,"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1",-4.5713,-4.4219,-4.4030000000000005,-3.2044,-3.1054,-3.0187,1.9559,1.9718,2.0585,2.2573,2.3672,D02482_P01BE03,00000000050022200200000002020008200000240402400000000800000400001000100800800205500a0700204011010100000000a040121001000000009200289028000004000080028002059010040090014020000440a00000000000200000200048002880040100000000002880000b01000001000000002401c0140400,0400000c30a407,07000000000880400300980000000000000000000000000000000000000000000000e432402805,000004000000000182000003b289acec895db7d61c,0,0,56,2,0,5,55,58,-4.371,2.287,8,0.0,0.00029736,+,1.7723,-,1.7723,https://www.genome.jp/dbget-bin/www_bget?dr:D02482
4814,D07361, Artemotil (INN)," Artemisinin and derivatives, plain",P01BE04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@]123[C@H]4O[C@](OO3)(CC[C@H]2[C@@H](CC[C@H]1[C@H]([C@H](O4)OCC)C)C)C,312.401,3.2309,80.878,46.15,33,0,5,NLYNIRQVMRLPIQ-XQLAAWPRSA-N,C17H28O5,CCOC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3,"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1",-3.2063,-3.1422,-3.1146,-2.6483,-2.6319999999999997,-1.5858,0.9507,1.1828,1.4766,1.7019,1.7561,D07361_P01BE04,0000000005002220000000000002000820000024040240000000080000040000100010080080020550000200204011010100000000a040121000000000009000289028000004000080028002051010000080014020000440a00000000000200000000048002880040100000000002880000101000000000000002401c0140000,00000000302401,07000000000880400000000000000000000000000000000000000000000000000000e432402004,0000040000000001820000013299aeec0959b7d51c,0,0,53,0,0,2,50,53,-10.211,0.37200000000000005,8,-1.0,0.417539537,+,1.4084,-,1.4084,https://www.genome.jp/dbget-bin/www_bget?dr:D07361
4815,D07362, Artenimol (INN)," Artemisinin and derivatives, plain",P01BE05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@]123[C@H]4O[C@](OO3)(CC[C@H]2[C@@H](CC[C@H]1[C@H]([C@H](O4)O)C)C)C,284.348,2.1867,71.3408,57.15,29,1,5,BJDCWCLMFKKGEE-ISOSDAIHSA-N,C15H24O5,OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",-3.8696,-3.1935,-3.1359,-2.8016,-2.7632,-1.5541,1.1971,1.5542,1.7014,1.7664,1.9425,D07362_P01BE05,0000000005002220000000000002000820000024040240000000080000040000100000080080020550000200204001010100000000a040121000000000009000289028000004000080028002051010000080014020000440a00000000000200000000048002880040100000000002880000101000000000000002401c0140000,0000000c30a401,07000000000880410000000000000000000000000000000000000000000000000000e43a400004,0000040000000001820000053289accc095db7d01c,0,0,47,0,0,0,44,47,-10.17,0.37799999999999995,8,0.0,0.18005543899999998,+,1.1949,-,1.1949,https://www.genome.jp/dbget-bin/www_bget?dr:D07362
4816,D02484, Artemether - lumefantrine mixt," Artemisinin and derivatives, combinations",P01BF01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(c3c(/C/1=C\c1ccc(cc1)Cl)cc(cc3[C@@H](O)C[NH+](CCCC)CCCC)Cl)ccc(c2)Cl,529.948,7.7346,153.868,24.67,34,2,1,DYLGFOYVTXJFJP-PZKKRVAUSA-O,C30H33Cl3NO+,CCCC[NH+](CC(c1cc(Cl)cc2c1c1ccc(cc1C2=Cc1ccc(cc1)Cl)Cl)O)CCCC,"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/p+1/b25-15-/t29-/m0/s1",-6.0106,-4.5416,-4.5002,-4.3362,-2.8569999999999998,-2.1969,1.3956,1.5708,1.5751,1.6051,1.9568,D02484_P01BF01,002682012000004402072600804040064000805008204400000000a000208000100048811040001220012018080010000102204000000004000000020006021408000800020008a00000200006000002008a004080012028c4080a0080010000000400218006008400400000a110000100060180000110000100001400a00800,0100002c00f001,132840020400000000000000000000000000000000040000000000000000000000004240c02204,0000000000002300000872c6dc452e822d86ddb51f,0,18,52,1,0,10,68,71,-11.37,-3.759,1,-1.0,0.99783355,+,1.6333,-,1.6333,https://www.genome.jp/dbget-bin/www_bget?dr:D02484
4817,D08033, Halofantrine (INN), Other antimalarials,P01BX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1)c1c(c(c2)[C@H](CC[NH+](CCCC)CCCC)O)ccc(c1)C(F)(F)F)Cl)Cl,501.43199999999996,7.2272,134.828,24.67,32,2,1,FOHHNHSLJDZUGQ-VWLOTQADSA-O,C26H31Cl2F3NO+,CCCC[NH+](CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/p+1/t25-/m0/s1",-5.9821,-4.559,-4.5432,-4.5203,-4.1882,-4.188,1.4234,1.4303,1.5596,1.595,1.6082,D08033_P01BX01,00260200000010400a0006000000000000000090000004000000008001200000100040008000000128010018000100000102000000008000000000020000000008000c000000000000040001a60000020088004000003008d0080800000900000000002000040000204000000100000000060100000110000002000000800000,0100002c00f001,032940020400000000000000000000000000000000040000000000000000000000004200e02204,000000000002110000007202d9c72e822d06ddb51f,3,16,50,0,0,11,64,66,-11.394,-3.85,1,0.0,0.986840308,-,1.7725,-,1.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D08033
4818,D02485, Halofantrine hydrochloride (USAN), Other antimalarials,P01BX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cc(c2c(c1)c1c(c(c2)[C@@H](CC[NH+](CCCC)CCCC)O)ccc(c1)C(F)(F)F)Cl)Cl,501.43199999999996,7.2272,134.828,24.67,32,2,1,FOHHNHSLJDZUGQ-RUZDIDTESA-O,C26H31Cl2F3NO+,CCCC[NH+](CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/p+1/t25-/m1/s1",-6.0415,-4.5932,-4.5651,-4.54,-4.1927,-4.1865,1.4381,1.4569,1.58,1.5839,1.5893,D02485_P01BX01,00260200000010400a0006000000000000000090000004000000008001200000100040008000000128010018000100000102000000008000000000020000000008000c000000000000040001a60000020088004000003008d0080800000900000000002000040000204000000100000000060100000110000002000000800000,0100002c00f001,032940020400000000000000000000000000000000040000000000000000000000004200e02204,000000000002110000007202d9c72e822d06ddb51f,3,16,50,0,0,11,64,66,-11.395,-3.8510000000000004,1,0.0,0.9868302940000001,-,1.7725,-,1.7725,https://www.genome.jp/dbget-bin/www_bget?dr:D02485
4819,D02489, Benznidazole (INN), Nitroimidazole derivatives,P01CA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cccc1)CNC(=O)Cn1c(ncc1)[N](=O)O,261.257,1.9132,67.8332,96.58,18,2,4,USEBSUPUTFWVQK-UHFFFAOYSA-N,C12H13N4O3,O=C(Cn1ccnc1[N](=O)O)NCc1ccccc1,"InChI=1S/C12H13N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)(H,18,19)",-5.6568,-4.6054,-4.3338,-3.8124,-3.8118,-3.2231,1.7078,1.7839,2.0372,2.2484,2.5636,D02489_P01CA02,000a000800000c4011104600080100080000008000000000400000c0000000000e0040020008002108870038000004800100200000004000000800420000000034000e08800c4040000000010298010000a0004008902008c008010000012014001000020000000000800000400018000006014000010000100c800106000000,0500000000f001,0000000000000000000080000a0000000000000000009800000000000000000000000640c03a00,0000800100008140715416eca862d00bdfa76a6f1f,0,11,20,2,0,6,32,33,-10.372,-1.6440000000000001,0,,0.103642352,+,0.5839,-,0.5839,https://www.genome.jp/dbget-bin/www_bget?dr:D02489
4820,D02491, Meglumine antimonate, Antimony compounds,P01CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,196.222,-4.3845,45.6314,117.76,23,6,5,MBBZMMPHUWSWHV-BDVNFPICSA-O,C7H18NO5+,C[NH2+]CC(C(C(C(CO)O)O)O)O,"InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/p+1/t4-,5+,6+,7+/m0/s1",-5.6749,-5.6481,-4.4417,-4.3814,-2.4423,-2.1739,2.2654,2.4181,2.4249,2.5151,3.1435,D02491_P01CB01,000a00000000000000000400000000000000001000000000000000000000000010001000800000071000001000000000010000000020c001000000000000000008000800000000000000800300000000000001400000200080000000000000000000000000000000000000008000380000040000000010000000000100000000,0100003c00e000,003840010401000000000000000000000000000000000000000000000000000000000000c02204,000000000000310080002a57891004000c0ec2f509,0,0,30,0,0,6,31,30,-13.414000000000001,-4.213,4,,,+,0.3968,-,0.3968,https://www.genome.jp/dbget-bin/www_bget?dr:D02491
4821,D00833, Nifurtimox (INN), Nitrofuran derivatives,P01CC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1N(/N=C/c2oc(cc2)[N](=O)O)[C@@H](CS(=O)(=O)C1)C,288.3,2.0739,72.2965,120.92,20,1,5,CMWPHEORBKWTJG-JMUHATKESA-N,C10H14N3O5S,CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N](=O)O,"InChI=1S/C10H14N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3,(H,14,15)/b11-6+/t8-/m1/s1",-7.0492,-7.0045,-5.6744,-4.5992,-2.6507,-2.4573,1.5609,1.5703,2.0403,2.4173,2.5467,D00833_P01CC01,20020107000001002a000e00080000011000010810600044000840400000000030004c04400244600000020800000a010000001000140300000001820150000412000802200000a000010400020421c0001080406420200421400006004306150a4020010000800040100000000020108046100800010a20300a22460e208800,0100000000f101,01000000000000000000000000000000000000000000a000a00000000000000000000640c32a05,000080000800cd5bf425a4e82be8fccbdb6faee91f,0,5,25,4,0,3,33,34,-9.498,-2.04,1,-1.0,0.098148607,-,0.9748,-,0.9748,https://www.genome.jp/dbget-bin/www_bget?dr:D00833
4822,D00834, Pentamidine isethionate (USAN), Other agents against leishmaniasis and trypanosomiasis,P01CX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(ccc(cc1)OCCCCCOc1ccc(cc1)C(=[NH2])N)C(=[NH2])N,342.435,4.9113,102.62899999999999,122.54,32,4,4,FCSOLEJLGNYDJO-UHFFFAOYSA-N,C19H26N4O2,NC(=[NH2])c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=[NH2])N,"InChI=1S/C19H26N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13,20-23H2",-6.0351,-6.0337,-6.0257,-6.0197,-4.842,-4.8374,2.3179,2.3194,2.3269,2.3333,3.5961,D00834_P01CX01,0000000000000440000006000802000000000000000022400000008000000000100040000200000100800008000000000100020000004000000000020000800008200800010000110000000202088000008000400000000043080000000100000010000000000402000000020010080000070100080100200800000100000004,0000000050b001,0200c2000000000000008000000000000000000000000000000000000000000000000240402800,000000002004000000300800001061e00d62c57d1f,0,12,38,2,0,10,51,52,-14.277999999999999,-5.938,0,,1.87816e-05,+,0.9342,-,0.9342,https://www.genome.jp/dbget-bin/www_bget?dr:D00834
4823,D00808, Suramin hexasodium (USAN), Other agents against leishmaniasis and trypanosomiasis,P01CX02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(c(ccc1NC(=O)c1cc(NC(=O)c3cc(NC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6c7c(c(cc6)S(=O)(=O)O)cc(cc7S(=O)(=O)O)S(=O)(=O)O)ccc5C)ccc4)ccc3)c(cc1)C)S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O,1297.28,13.665999999999999,306.117,534.03,63,12,29,FIAFUQMPZJWCLV-UHFFFAOYSA-N,C51H40N6O23S6,O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",-9.9872,-9.7662,-9.7178,-9.6814,-9.6762,-9.674,5.0174,5.0374,5.6819,5.8779,5.9331,D00808_P01CX02,20420100000004820100064000814024c01000d01009000000000080000014000c0054080020032008862208020110c0002000000000000800000002000004000000001040032280020410080088008020c0006004206800500808000011880009320002000000004000020c00020004400ed140000100400028c00006c00010,0400000000b041,0100000000000000000080000a0000000041040000000000000022000000000000004240402800,00000000d084449e1411810830a31008d6ac7bea1f,0,46,70,17,0,22,126,133,1.723,6.747000000000001,0,1.0,3.89495e-14,+,24.0653,-,24.0653,https://www.genome.jp/dbget-bin/www_bget?dr:D00808
4824,D00471, Praziquantel (JAN/USP/INN), Quinoline derivatives and related substances,P02BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1ccc2c(c1)[C@H]1N(CC2)C(=O)CN(C1)C(=O)C1CCCCC1,312.406,2.4107,96.931,40.62,28,0,4,FSVJFNAIGNNGKK-KRWDZBQOSA-N,C19H24N2O2,O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1",-3.8857,-3.8778,-3.7897,-3.7892,-2.8681,-2.3536,1.4472,1.4863,1.935,2.1829,2.3622,D00471_P02BA01,0026000000400620030006000001000c0000009000400000000000c00000000018005083214000001086203800000280010200000020000220000002000200000000000080040080012020008a88000600b0814000002008c0080900800000000d10002200000000000000002000000000060114000110000030800108000100,0400000000b001,060000000000000000008000320000000000000000000000000000000000000000004600402805,0000000000000000004430481a61b0c389e30d6b1f,0,6,42,2,0,2,47,50,-9.746,0.26899999999999996,1,-1.0,0.534827113,-,1.3292,-,1.3292,https://www.genome.jp/dbget-bin/www_bget?dr:D00471
4825,D00460, Oxamniquine (USAN/INN), Quinoline derivatives and related substances,P02BA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c(cc(c(c1)[N](=O)O)CO)CC[C@@H](N2)C[NH2+]C(C)C,281.351,1.3382,82.9984,98.53,27,4,2,XCSBMVWHEUSOMT-GFCCVEGCSA-O,C14H23N3O3+,OCc1cc2CCC(Nc2cc1[N](=O)O)C[NH2+]C(C)C,"InChI=1S/C14H22N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3,(H,19,20)/p+1/t12-/m1/s1",-5.7122,-5.6754,-5.4449,-4.8753,-4.44,-4.2958,1.6938,1.7719999999999998,1.9469,2.0816,2.3509,D00460_P02BA02,00060024000080400a000600008088099050001000040000000010c100000800120850020000002120001038010112400102004008000008000000020080240018000c004001122000a0200082000100009001400400302ce00a080000091014000000200008000140600000010000200006094422019000100a000102400000,0100001c00f021,031840810400000000000000000000000000000000000000000000000000000000004640c03a04,000080000000a14070c20a26bb51688b57a77ffd1f,0,6,37,1,0,5,43,44,-11.952,-4.4,1,,0.0034175209999999998,+,0.4613,-,0.4613,https://www.genome.jp/dbget-bin/www_bget?dr:D00460
4826,D00805, Metrifonate (USP/INN), Organophosphorous compounds,P02BB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@H](P(=O)(OC)OC)(C(Cl)(Cl)Cl)O,257.437,2.1609,47.7633,65.57,12,1,4,NFACJZMKEDPNKN-GSVOUGTGSA-N,C4H8Cl3O4P,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3/t3-/m1/s1",-8.3276,-6.1332,-6.1004,-4.6181,-3.4399,-2.5995,2.1204,2.1348,2.2826,2.6895,2.7892,D00805_P02BB01,058002000000000000000000000000000040010000000002000000084000000000000000000000000001500500000000000000000200002000000000280000000800080000000000000002010000000000000040000000000000000000000000000000000040000000000008040000000000000000040000800a000001000804,0000000c00a000,800000000000000000000000000000000000000000000000000000004004000000000000402804,00000010008000008000001060860028220c1ad008,0,0,18,1,0,4,20,19,-11.0,-0.532,1,1.0,,+,0.5543,-,0.5543,https://www.genome.jp/dbget-bin/www_bget?dr:D00805
4827,D05170, Niridazole (USAN/INN), Other antitrematodal agents,P02BX02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(N2CCNC2=O)sc(cn1)[N](=O)O,215.21,1.3893,56.4962,123.13,13,2,5,IGFXOSUTCFIWMM-UHFFFAOYSA-N,C6H7N4O3S,O=C1NCCN1c1ncc(s1)[N](=O)O,"InChI=1S/C6H7N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)(H,12,13)",-5.672000000000001,-5.2064,-4.6547,-4.5986,-3.8437,-3.0076,1.7581,1.7789,1.9806,2.0474,2.5338,D05170_P02BX02,0013010c0010000001204e003840000804040060000000000013008c00000000080001000048006080041132000102000000a0001100000080601010000400001400340016200000022000020080032800041150200a3000260000200002009408a80250048100800004000000000000201c0000000108003020000002422300,0100000000f041,00000000000000000000000000000000004024000000d000000000000000000000000640c02a00,000080001840816071d497a6a962f04bd6676e6b1b,0,5,15,2,0,2,21,22,-10.009,-1.939,0,1.0,0.032830566,+,0.8577,-,0.8577,https://www.genome.jp/dbget-bin/www_bget?dr:D05170
4828,D07364, Triclabendazole (INN), Other antitrematodal agents,P02BX04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(cccc(c1Cl)Oc1c(cc2c(c1)[nH]c(n2)SC)Cl)Cl,359.658,6.0373,89.3607,63.21,12,1,3,NQPDXQQQCQDHHW-UHFFFAOYSA-N,C14H9Cl3N2OS,CSc1nc2c([nH]1)cc(c(c2)Cl)Oc1cccc(c1Cl)Cl,"InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)",-1.5001,-1.3538,-0.6896,-0.6367,-0.5799,-0.5236,0.3383,0.3739,0.4462,0.4883,0.5405,D07364_P02BX04,c0006300000400c000004600000200000000200008000000008810100060000000000801000080212003001800004040000006000020200008200000000000040c000c0041000001020040000e000002008880400480000140080000000100000800000000000896004000004010140000221000280000200800020002800100,00000000903101,00000c002000000000000000000000000000200000049400000000000000000000004600402800,00000000004000840150c5905107816120e1e1981f,0,16,16,0,0,3,30,32,-8.805,-0.573,0,1.0,0.941078484,+,0.764,-,0.764,https://www.genome.jp/dbget-bin/www_bget?dr:D07364
4829,D00368, Mebendazole (JAN/USP/INN), Benzimidazole derivatives,P02CA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c12c([nH]c(n2)NC(=O)OC)ccc(c1)C(=O)c1ccccc1,295.293,3.0452,81.7549,84.08,18,2,5,OPXLLQIJSORQAM-UHFFFAOYSA-N,C16H13N3O3,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",-5.1887,-4.0738,-3.5669,-2.6522,-2.6048,-1.8178,1.3309,1.3753,1.5411,1.6932,1.7554,D00368_P02CA01,a0050000004000c003184600880240000000004040000000020000a0002000001400600000088021300e064c000000400000a0000000200004400002000003000c001c00400000000000400000800002008000400480300940080800000300000400000100000000004000004400040000030540800108002058000002000000,1400000030b001,000000000000010000000000000000000041000100009400000000000000000000004640402800,00004001000400000150049011239025d421c3fa1f,0,16,19,2,0,5,35,37,-9.213,-0.455,0,,0.23673062,-,0.9793,-,0.9793,https://www.genome.jp/dbget-bin/www_bget?dr:D00368
4830,D00134, Albendazole (JAN/USP/INN), Benzimidazole derivatives,P02CA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)[nH]c(n2)NC(=O)OC)SCCC,265.33099999999996,3.3163,73.2154,92.31,20,2,5,HXHWSAZORRCQMX-UHFFFAOYSA-N,C12H15N3O2S,CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",-5.2091,-4.0693,-3.5581,-2.6060000000000003,-1.8322,-1.5562,1.3446,1.3811,1.5409,1.6952,1.7515,D00134_P02CA03,a0010101000000500118460008020000000080000000020082000000002000001900200000088021300c004c000000c00108a0000000200000400000080003040c001c0040000002000044000280010200800060048070014048000000030000000000000000010000400000400004000003100080000a002002800102000000,0000000030b101,030008002000000000000000000000000040000100009400000000000000000000004600402800,0000400100040084015085901123b625542154ff1f,0,10,23,1,0,6,33,34,-8.177999999999999,-0.23199999999999998,0,,0.168863848,+,0.6239,-,0.6239,https://www.genome.jp/dbget-bin/www_bget?dr:D00134
4831,D07106, Albendazole oxide (INN), Benzimidazole derivatives,P02CA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)[nH]c(n2)NC(=O)OC)[S@](=O)CCC,281.33099999999996,3.1975,73.9019,103.29,20,2,5,VXTGHWHFYNYFFV-LJQANCHMSA-N,C12H15N3O3S,CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC,"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m1/s1",-5.1645,-4.0774,-3.5608,-2.5860000000000003,-1.8455,-1.556,1.3334,1.3745,1.5396,1.6793,1.7492,D07106_P02CA03,a0010101000000500118460008020000000080000000020082000000002000001900241800088021300c004c000000c00128a0000000200000400000080003040c001c0040006082000044000280010200800060048070014048000000030000000000000000010000400000400004000003900080000a002002800542000000,0000000030b101,030000000000000000000000000000000040000100009400000100000000000000004640402805,000040010004049c055185903123b62ddc215eff1f,0,10,23,2,0,6,34,35,-9.151,-0.489,0,-1.0,0.010085891999999999,+,0.5841,-,0.5841,https://www.genome.jp/dbget-bin/www_bget?dr:D07106
4832,D03623, Cyclobendazole (USAN), Benzimidazole derivatives,P02CA04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)[nH]c(n2)NC(=O)OC)C(=O)C1CC1,259.26099999999997,2.4069,69.5749,84.08,18,2,5,OXLKOMYHDYVIDM-UHFFFAOYSA-N,C13H13N3O3,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)C1CC1,"InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)",-5.2287,-4.0943,-3.536,-3.2401,-2.5881,-1.8056,1.348,1.3889,1.5347,1.681,1.7589,D03623_P02CA04,a0050000000000c00318460008024000000000004000000002000080002000001400600000088021300e064c000100400100a0000000200004400002000003000c001c0040000000000060010080000e009000400480300940080800000b00000400000000000000004000004400040000030540820108002058000102000000,1400000030b001,060000000000010000000000000000000041000100009400000000000000000000004640402801,00006001000400000150049011239025d421c6fa1f,0,10,22,2,0,5,32,34,-9.203,-0.28800000000000003,0,,0.074272454,+,1.5835,-,1.5835,https://www.genome.jp/dbget-bin/www_bget?dr:D03623
4833,D04200, Flubendazole (USAN/INN), Benzimidazole derivatives,P02CA05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(cc2c(c1)[nH]c(n2)NC(=O)OC)C(=O)c1ccc(cc1)F,313.283,3.1843,81.7129,84.08,17,2,5,CPEUVMUXAHMANV-UHFFFAOYSA-N,C16H12FN3O3,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",-5.2758,-4.0358,-3.5417,-2.6557,-2.6172,-1.7894,1.3546,1.3686,1.547,1.6818,1.7562,D04200_P02CA05,a0070000004000c003984600880240000100004040000000020000a0002000001400600000088021300e064c000000400000b0000000200084400002000003000c001c00400020000010400000800002008000400480300940080800000300000400000100000000104000004400040000030542800118002058000002000000,1400000030b001,000000000000010000000000000000000041000100089400000000000000000000004640402800,00004001000600000150449011279025f421c3fa1f,1,16,19,2,0,5,35,37,-9.326,-0.59,0,0.0,0.331214666,-,1.0592,-,1.0592,https://www.genome.jp/dbget-bin/www_bget?dr:D04200
4834,D04140, Fenbendazole (USP/INN), Benzimidazole derivatives,P02CA06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1cccc(c1)Sc1ccc2c(c1)nc([nH]2)NC(=O)OC,299.348,3.9654,82.4454,92.31,18,2,5,HDDSHPAODJUKPD-UHFFFAOYSA-N,C15H13N3O2S,COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",-5.2545,-4.0799,-3.5329,-2.5919,-1.8428,-1.5508,1.3386,1.3796,1.5409,1.6666,1.7598,D04140_P02CA06,a0010100000000400118460008020000000080000000020082000000000000001900200000088021300c004c000000d00108a0000000200000400000081003040c001c0040000000000040000280000200800020048030014008000000030000000000000000010000400000400004000003100080000a002002800102000000,0000000030b101,000010000000000000000000000000000040000100009400000000000000000000004600402800,00004001000400840150859011239025542141fa1f,0,16,19,1,0,5,34,36,-8.193,-0.44799999999999995,0,-1.0,0.420869172,-,0.6025,-,0.6025,https://www.genome.jp/dbget-bin/www_bget?dr:D04140
4835,D00807, Piperazine (USP), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1C[NH2+]CC[NH2+]1,88.1515,0.2652,34.5868,33.22,12,2,0,GLUUGHFHXGJENI-UHFFFAOYSA-P,C4H12N2++,[NH2+]1CC[NH2+]CC1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2",-5.6743,-5.6739,-5.6625,-5.6624,-4.3387,-4.3386,1.5613,1.7934,1.7935,2.354,2.3541,D00807_P02CB01,0002000000000000000004000000000800000000000000000000000000000000000000022000000000000020000000000000000000000000000000000000000000000000000000000020000002000000000000400000200000000000000000000000000000000000000000000000000000040000000000000000000000000000,0100000000e001,000040010400000000000000000000000000000000000000000000000000000000000400c00200,000000000000210000402a048a40a0810523442115,0,0,18,0,0,0,18,18,-21.291,-9.3,0,,3.7652999999999995e-22,+,0.6131,-,0.6131,https://www.genome.jp/dbget-bin/www_bget?dr:D00807
4836,D01393, Piperazine phosphate hydrate (JP17/USP), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1C[NH2+]CC[NH2+]1,88.1515,0.2652,34.5868,33.22,12,2,0,GLUUGHFHXGJENI-UHFFFAOYSA-P,C4H12N2++,[NH2+]1CC[NH2+]CC1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2",-5.6743,-5.6739,-5.6625,-5.6624,-4.3387,-4.3386,1.5613,1.7934,1.7935,2.354,2.3541,D01393_P02CB01,0002000000000000000004000000000800000000000000000000000000000000000000022000000000000020000000000000000000000000000000000000000000000000000000000020000002000000000000400000200000000000000000000000000000000000000000000000000000040000000000000000000000000000,0100000000e001,000040010400000000000000000000000000000000000000000000000000000000000400c00200,000000000000210000402a048a40a0810523442115,0,0,18,0,0,0,18,18,-21.291,-9.302999999999999,0,,3.9857499999999998e-22,+,0.6131,-,0.6131,https://www.genome.jp/dbget-bin/www_bget?dr:D01393
4837,D02127, Piperazine citrate (USP), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",OC(=O)CC(CC(=O)O)(O)C(=O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5829,-4.5585,-4.556,-4.4481,-4.4275,-4.414,2.3717,2.3833,2.3923,2.3951,2.4145,D02127_P02CB01,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.365,13.794,0,,,+,0.812,-,0.812,https://www.genome.jp/dbget-bin/www_bget?dr:D02127
4838,D02145, Piperazine adipate (JP17/USP), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",OC(=O)CCCCC(=O)O,146.141,0.716,34.4996,74.6,12,2,4,WNLRTRBMVRJNCN-UHFFFAOYSA-N,C6H10O4,OC(=O)CCCCC(=O)O,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",-4.5643,-4.5638,-4.4334,-4.4224,-1.3331,-1.3328,1.058,1.1479,2.3638,2.3679,2.4143,D02145_P02CB01,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000100000000204000000000000000000008000800000000000000800008800004001000400000000000000000000000000000000000000000000000000000080000000000000000000000000100000100,0400000c00a002,020000000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000000006800020048d0c065608,0,0,17,2,0,5,20,19,-1.8659999999999999,10.259,0,1.0,,-,0.7615,-,0.7615,https://www.genome.jp/dbget-bin/www_bget?dr:D02145
4839,D05486, Piperazine edetate calcium (USAN/INN), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0131,-5.9933,-5.0326,-4.9629,-4.9434,-4.9225,2.7041,3.2946,3.4916,3.5023,3.5097,D05486_P02CB01,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.336,4.477,0,-1.0,,+,1.6945,-,1.6945,https://www.genome.jp/dbget-bin/www_bget?dr:D05486
4840,D06224, Triclofenol piperazine (USAN/INN), Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(c(cc(c(c1)Cl)Cl)Cl)O,197.446,3.3524,43.495,20.23,4,1,1,LHJGJYXLEPZJPM-UHFFFAOYSA-N,C6H3Cl3O,Clc1cc(Cl)c(cc1O)Cl,"InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",-0.5613,-0.4774,-0.4627,-0.4476,-0.373,-0.327,0.2804,0.3125,0.3217,0.4505,0.474,D06224_P02CB01,0000020000000000000002000000000000000000000010200008100000200000000000000000000000010008000000000000020000000000000000000000000008000000000000000204000006000002008800000000000040080000000000000000000000000012200000000000000000020000000000200800000000800000,0000000402b001,000000000000000000000000000000000000000000050000000000000000000000000200400000,0000000000000000000040004004014020c4a0101e,0,6,7,0,0,0,13,13,-9.769,-0.49200000000000005,0,1.0,0.151830181,-,0.3348,-,0.3348,https://www.genome.jp/dbget-bin/www_bget?dr:D06224
4841,D08381, Piperazine hexahydrate, Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1C[NH2+]CC[NH2+]1,88.1515,0.2652,34.5868,33.22,12,2,0,GLUUGHFHXGJENI-UHFFFAOYSA-P,C4H12N2++,[NH2+]1CC[NH2+]CC1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2",-5.6743,-5.6739,-5.6625,-5.6624,-4.3387,-4.3386,1.5613,1.7934,1.7935,2.354,2.3541,D08381_P02CB01,0002000000000000000004000000000800000000000000000000000000000000000000022000000000000020000000000000000000000000000000000000000000000000000000000020000002000000000000400000200000000000000000000000000000000000000000000000000000040000000000000000000000000000,0100000000e001,000040010400000000000000000000000000000000000000000000000000000000000400c00200,000000000000210000402a048a40a0810523442115,0,0,18,0,0,0,18,18,-21.287,-9.301,0,-1.0,3.7650900000000004e-22,+,0.6131,-,0.6131,https://www.genome.jp/dbget-bin/www_bget?dr:D08381
4842,D08551, Piperazine sultosylate, Piperazine and derivatives,P02CB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(ccc(c1)S(=O)(=O)Oc1cc(c(cc1)O)S(=O)(=O)O)C,344.36,3.8766,77.5898,134.73,18,2,7,SVXZTCUBEFUKRQ-UHFFFAOYSA-N,C13H12O7S2,Cc1ccc(cc1)S(=O)(=O)Oc1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C13H12O7S2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17/h2-8,14H,1H3,(H,15,16,17)",-9.6478,-9.645,-9.6298,-9.6229,-9.1233,-3.6502,2.4104,2.5888,2.625,3.7067,4.9271,D08551_P02CB01,200001000000000200040200000000022000004000000810000000800080080809404008200000000000000800000080002002000000800000000002000200081800001800022880020000000200040000810060022000004008880000200000000200000000008200000400a02400200002d140001300200810820000000000,0000000402b001,01000000000000000000000000000000000000000001000000002a000000000000000240403800,00000000c080549e140181012082016886ccabd01e,0,12,19,4,0,4,34,35,-6.558,1.0290000000000001,0,1.0,8.14521e-05,+,0.9328,-,0.9328,https://www.genome.jp/dbget-bin/www_bget?dr:D08551
4843,D07825, Diethylcarbamazine (INN), Piperazine and derivatives,P02CB02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N1(C(=O)N(CC)CC)CC[NH+](CC1)C,200.301,0.7856,66.1397,27.99,25,1,3,RCKMWOKWVGPNJF-UHFFFAOYSA-O,C10H22N3O+,CCN(C(=O)N1CC[NH+](CC1)C)CC,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3/p+1",-6.0432,-4.7284,-4.7032,-4.6267,-4.6136,-4.5669,1.8809,1.9006,2.3857,2.415,2.5797,D07825_P02CB02,0002000000000000010004000000000800000000000000000000000000000000080000022000000000040120000100000000000040000000000000001000000000000000000000000020000002a000000000004000002000000002000000000008200000040000000000000000000000000c0004000000000020000000000000,0100000000e041,010040020400000000000000000000000040040000000000000000000000000000000400c02200,0000000010000100005432148a62be8301335caf1d,0,0,35,1,0,4,36,36,-12.280999999999999,-4.152,0,-1.0,7.56997e-05,+,0.1998,-,0.1998,https://www.genome.jp/dbget-bin/www_bget?dr:D07825
4844,D00803, Diethylcarbamazine citrate (JP17/USP), Piperazine and derivatives,P02CB02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N1(C(=O)N(CC)CC)CC[NH+](CC1)C,200.301,0.7856,66.1397,27.99,25,1,3,RCKMWOKWVGPNJF-UHFFFAOYSA-O,C10H22N3O+,CCN(C(=O)N1CC[NH+](CC1)C)CC,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3/p+1",-6.0465,-4.7421,-4.6937,-4.6335,-4.6145,-4.5556,1.9528,1.9863,2.3898,2.4062,2.5878,D00803_P02CB02,0002000000000000010004000000000800000000000000000000000000000000080000022000000000040120000100000000000040000000000000001000000000000000000000000020000002a000000000004000002000000002000000000008200000040000000000000000000000000c0004000000000020000000000000,0100000000e041,010040020400000000000000000000000040040000000000000000000000000000000400c02200,0000000010000100005432148a62be8301335caf1d,0,0,35,1,0,4,36,36,-12.275,-4.154,0,0.0,7.56867e-05,+,0.1998,-,0.1998,https://www.genome.jp/dbget-bin/www_bget?dr:D00803
4845,D08451, Pyrantel (INN), Tetrahydropyrimidine derivatives,P02CC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1(=[NH]CCCN1C)/C=C/c1cccs1,207.315,2.083,71.1157,55.33,17,1,2,SIOBAJXCORZYAC-AATRIKPKSA-N,C11H15N2S,CN1CCC[NH]=C1C=Cc1cccs1,"InChI=1S/C11H15N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9,12H,3,7-8H2,1H3/b6-5+",-6.6525,-6.3948,-5.0893,-3.9698,-3.9695,-3.8296,1.4869999999999999,2.0991,2.1284,2.1349,2.3784,D08451_P02CC01,0002c10200000004100006101000400a0408415000204940000008240000000210004000000000008000007800000000400284200000108008018022004c00208010100002200000082201001200000080000040100220100301420000020000010c001080009190040000000040000000060000000130000084000040000100,0000000000b001,12004001000000000000800000000000000000000000c000000000000000000000000640436000,000000002800000000b4b7968e48ec8300236ca917,0,5,23,2,0,2,29,30,-12.513,-5.199,0,0.0,0.001757861,+,0.9379,-,0.9379,https://www.genome.jp/dbget-bin/www_bget?dr:D08451
4846,D00486, Pyrantel pamoate (JP17/USP), Tetrahydropyrimidine derivatives,P02CC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.4078,-4.3942,-4.2624,-4.2557,-2.1325,-2.0899,1.7511,1.9359,2.3003,2.3498,2.3615,D00486_P02CC01,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.552,4.361000000000001,0,-1.0,5.9576699999999995e-08,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D00486
4847,D05657, Pyrantel tartrate (USAN), Tetrahydropyrimidine derivatives,P02CC01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1(=[NH]CCCN1C)/C=C/c1cccs1,207.315,2.083,71.1157,55.33,17,1,2,SIOBAJXCORZYAC-AATRIKPKSA-N,C11H15N2S,CN1CCC[NH]=C1C=Cc1cccs1,"InChI=1S/C11H15N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9,12H,3,7-8H2,1H3/b6-5+",-6.6513,-6.3955,-5.0893,-3.971,-3.9681,-3.8302,1.4887,2.0989,2.1272,2.1352,2.3778,D05657_P02CC01,0002c10200000004100006101000400a0408415000204940000008240000000210004000000000008000007800000000400284200000108008018022004c00208010100002200000082201001200000080000040100220100301420000020000010c001080009190040000000040000000060000000130000084000040000100,0000000000b001,12004001000000000000800000000000000000000000c000000000000000000000000640436000,000000002800000000b4b7968e48ec8300236ca917,0,5,23,2,0,2,29,30,-12.511,-5.199,0,0.0,0.0017580870000000002,+,0.9379,-,0.9379,https://www.genome.jp/dbget-bin/www_bget?dr:D05657
4848,D00806, Oxantel pamoate (USAN), Tetrahydropyrimidine derivatives,P02CC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1cccc2c1cc(c(c2Cc1c2c(cc(c1O)C(=O)O)cccc2)O)C(=O)O,388.37,4.3914,108.87200000000001,115.06,20,4,6,WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",-4.4251,-4.3869,-4.2754,-4.2181,-2.1949,-2.0186,1.7023,1.9731,2.2964,2.3485,2.3571,D00806_P02CC02,00040000000000c202000200800000000000004000000000000000a0000000001400400020000000280a02080000000000000240000000000000000200000000082008080000000000000000028000000082004000000028400a080000010000000a000100000002004002000100000000020100000100200808000000000000,0400000c02b003,02000000000000000000880000000000c001000000010000000000000000000000004240403800,0000000000001000000000031001014484cca3561e,0,22,24,2,0,4,45,48,-2.6289999999999996,4.3919999999999995,0,1.0,2.9307699999999997e-08,+,1.4162,-,1.4162,https://www.genome.jp/dbget-bin/www_bget?dr:D00806
4849,D08114, Levamisole (INN), Imidazothiazole derivatives,P02CE01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N12C(=[NH][C@H](C1)c1ccccc1)SCC2,205.299,1.7338,68.7837,52.39,16,1,2,YYLIKTJPARQTIF-SNVBAGLBSA-N,C11H13N2S,C1CN2C(=[NH]C(C2)c2ccccc2)S1,"InChI=1S/C11H13N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10,12H,6-8H2/t10-/m1/s1",-7.7256,-7.3682,-5.0892,-4.8912,-4.0436,-4.0303,2.5189,2.5898,2.7035,2.8503,3.3685,D08114_P02CE01,8006210310400400020006001000000e0000000000400040080010909802028030084087000000000080203800002000880200004000000000020002008c0004000050000000000008000c00026c00008080004010402098424c8e02800200000010000000002400040080000004000020061108404110210000000040000000,0000000000b101,000040010000000000000000000000000040000000000000000000000000000000004600402004,00000000084000200070b5869843e08301234c2917,0,6,22,1,0,1,27,29,-13.151,-5.859,1,0.0,0.000599961,+,0.7105,-,0.7105,https://www.genome.jp/dbget-bin/www_bget?dr:D08114
4850,D00750, Levamisole hydrochloride (USP), Imidazothiazole derivatives,P02CE01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N12C(=[NH][C@H](C1)c1ccccc1)SCC2,205.299,1.7338,68.7837,52.39,16,1,2,YYLIKTJPARQTIF-SNVBAGLBSA-N,C11H13N2S,C1CN2C(=[NH]C(C2)c2ccccc2)S1,"InChI=1S/C11H13N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10,12H,6-8H2/t10-/m1/s1",-7.7256,-7.3682,-5.0892,-4.8912,-4.0436,-4.0303,2.5189,2.5898,2.7035,2.8503,3.3685,D00750_P02CE01,8006210310400400020006001000000e0000000000400040080010909802028030084087000000000080203800002000880200004000000000020002008c0004000050000000000008000c00026c00008080004010402098424c8e02800200000010000000002400040080000004000020061108404110210000000040000000,0000000000b101,000040010000000000000000000000000040000000000000000000000000000000004600402004,00000000084000200070b5869843e08301234c2917,0,6,22,1,0,1,27,29,-13.154000000000002,-5.856,1,,0.0005998409999999999,+,0.7105,-,0.7105,https://www.genome.jp/dbget-bin/www_bget?dr:D00750
4851,D00489, Pyrvinium pamoate (JAN/USP), Other antinematodals,P02CX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",n1(c2ccccc2)c(c(cc1C)/C=C/c1n(c2c(cc1)cc(cc2)N(C)C)C)C,382.52099999999996,6.1033,126.443,13.1,29,0,2,AYTVQWAIJHOCDZ-ACCUITESSA-N,C26H28N3,CN(c1ccc2c(c1)ccc(n2C)C=Cc1cc(n(c1C)c1ccccc1)C)C,"InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/b13-11+",-3.2156,-2.1536,-2.1468,-2.1449,-2.1258,-2.1180000000000003,0.6392,0.6419,0.6521,0.7011,1.3414,D00489_P02CX01,222200020402062448002610044000040018019000604888410000400000040110005081208080201080021a00001040030280000021220204018082000400204c0044004204020000822100020802000080035004002000d028502000013000001400200002108000000000240000021006001200031000008a000102000800,0000000000b001,170040020000000000000000000000000000000000008800000000000000000000004640432004,0000000000000020010634901649a88351b13da817,0,11,57,1,0,4,66,69,-11.09,-4.862,0,0.0,0.393760383,+,1.3272,-,1.3272,https://www.genome.jp/dbget-bin/www_bget?dr:D00489
4852,D00436, Niclosamide (USAN/INN), Salicylic acid derivatives,P02DA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(C(=O)Nc2c(cc(cc2)[N](=O)O)Cl)c(ccc(c1)Cl)O,328.12800000000004,4.3471,79.9407,98.99,14,3,3,WYRJUBOMMSFANY-UHFFFAOYSA-N,C13H9Cl2N2O4,Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N](=O)O)O,"InChI=1S/C13H9Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)(H,20,21)",-5.3028,-4.2916,-3.6697,-3.0959,-2.8709,-1.4805,1.0594,1.4162,1.5401,1.9492,2.0525,D00436_P02DA01,00020204000004840108060000810002a000008000001000000400c000200000040041000020012000870608000012400000030000000008000000020000041018200000400110a0010010000688010200c800400400280468080000000000140014000a0000000e0000020000000000000e0100000100201818000802c00000,0500000402f001,0000000000000000000080000a000000c001000000050000000000000000000000000240c03a00,0000800000009140700040296124514af6eceb7a1f,0,12,17,2,0,4,30,31,-10.133,-1.95,0,,0.7176904679999999,+,0.4534,-,0.4534,https://www.genome.jp/dbget-bin/www_bget?dr:D00436
4853,D07365, Desaspidin (INN), Other anticestodals,P02DX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",C1(=C(C(=O)C(=C(C1(C)C)O)C(=O)CCC)Cc1c(cc(c(c1O)C(=O)CCC)O)OC)O,446.49,4.234,119.66,141.36,38,4,8,GAHOBHHMYUYJDT-UHFFFAOYSA-N,C24H30O8,CCCC(=O)C1=C(O)C(C(=C(C1=O)Cc1c(OC)cc(c(c1O)C(=O)CCC)O)O)(C)C,"InChI=1S/C24H30O8/c1-6-8-14(25)18-16(27)11-17(32-5)12(20(18)28)10-13-21(29)19(15(26)9-7-2)23(31)24(3,4)22(13)30/h11,27-28,30-31H,6-10H2,1-5H3",-3.7489,-3.298,-2.8142,-2.0599,-1.7664,-1.5783,1.3827,1.5217,1.5237,1.7048,1.7468,D07365_P02DX01,00040000000002a402400280024300000000808040405200002000c000082000140c40000080000180020218010100000108020a0820250100001002000400000834080805040001000020002a8002844090004000021008400a980000090401020600020102044600008200011000000a0209000b0900200808000103000100,1400000d52b001,0b000200000001008000000000000000c001000000010000000000000000000000000240407801,0000000000001200020a0017048827608cdcb7d61e,0,6,52,5,0,9,62,63,-9.073,-0.46,0,1.0,0.36444318299999995,+,2.5660000000000003,-,2.5660000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D07365
4854,D07366, Dixanthogen (INN), Sulfur containing products,P03AA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",CCOC(=S)SSC(=S)OCC,242.40200000000002,3.0106,63.89,133.24,16,0,6,FVIGODVHAVLZOO-UHFFFAOYSA-N,C6H10O2S4,CCOC(=S)SSC(=S)OCC,"InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3",-3.0366,-3.0352,-2.1946,-2.1913,-1.3067,-1.2046,0.7357,0.8816,0.9245,1.0947,1.1152,D07366_P03AA01,0800010000000800000000000002000000000000000000000000020000008100000000000000000000000000000100000004040002000000000000000000000008000800000080000008100000100000008000400000000000000000000040080000000004000000000100080004020400001040000000001000000000000004,00000000302200,010000004000000000000000000000000040000000000000000000800000000000000000402000,00200000000000000401810000120228000210d508,0,0,19,2,0,7,22,21,-8.98,-3.074,0,1.0,,-,2.1686,-,2.1686,https://www.genome.jp/dbget-bin/www_bget?dr:D07366
4855,D06114, Thiram (USAN/INN), Sulfur containing products,P03AA05,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N(C(=S)SSC(=S)N(C)C)(C)C,240.433,2.0608,67.512,121.26,18,0,6,KUAZQDVKQLNFPE-UHFFFAOYSA-N,C6H12N2S4,CN(C(=S)SSC(=S)N(C)C)C,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,-3.9681,-3.9343,-1.9523,-1.9508,-1.9489,-1.9486,1.0011,1.0042,1.1805,1.3171,1.3218,D06114_P03AA05,0800010000000800000004000000000000000004000000000000000000000000004000000000000000000000800002000002040000000000000200000000000000000000000000000000080000108000000000000000200000000004000020000000002000000000080100000004000000001040000000001000000000000000,0000000000a200,000000004000000000000000000000000040000000000000000000800000000000000000402000,00200000004000000403b1100002000a003018a801,0,0,21,2,0,5,24,23,-8.351,-2.194,0,0.0,,-,2.5176,-,2.5176,https://www.genome.jp/dbget-bin/www_bget?dr:D06114
4856,D07367, Clofenotane (INN), Chlorine containing products,P03AB01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1c(ccc(c1)C(c1ccc(cc1)Cl)C(Cl)(Cl)Cl)Cl,354.486,6.4955,85.148,0.0,9,0,0,YVGGHNCTFXOJCH-UHFFFAOYSA-N,C14H9Cl5,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",-2.0182,-2.0039,-2.0004,-0.6899,-0.667,-0.5998,0.4271,0.4398,0.5142,0.5529999999999999,0.6637,D07367_P03AB01,000402000000000002000200800000000000004000000400000000a840200000100040000000000000010008000000000000000000000000800000020000001000000000000000000000000024000002008800400000000840080800000000000000000100000000000000000000000000020100000100000000000008800200,00000000003001,840000000000000000000000000000000000000000040000000000000000000000000200002000,000000000000000000004000408600002000010016,0,12,17,0,0,3,28,29,-10.071,-0.662,0,1.0,0.9804169540000001,+,0.8272,-,0.8272,https://www.genome.jp/dbget-bin/www_bget?dr:D07367
4857,D00360, Lindane (USP/INN), Chlorine containing products,P03AB02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@H]1([C@@H]([C@H]([C@H]([C@@H]([C@H]1Cl)Cl)Cl)Cl)Cl)Cl,290.83,3.6444,57.618,0.0,6,0,0,JLYXXMFPNIAWKQ-GNIYUCBRSA-N,C6H6Cl6,ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",-0.6729,-0.6729,-0.6719,-0.6718,-0.669,-0.6686,0.7847,0.7848,0.7851,0.7852,0.7854,D00360_P03AB02,0008c20004000000000000000000000000000000000000000000000800000000100000000000000000010000000000000100000000200002000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000108000000000000000000000000100000210,00000000002001,800000000000000000000000000000000000000000000000000000000000000000000000000004,000000000000000000004000400400002000200014,0,0,18,0,0,0,18,18,-11.095999999999998,-0.188,0,,0.559756875,+,0.8525,-,0.8525,https://www.genome.jp/dbget-bin/www_bget?dr:D00360
4858,D07530, Bioallethrin (BAN)," Pyrethrines, incl. synthetic compounds",P03AC02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1([C@H](C1(C)C)C=C(C)C)C(=O)O[C@@H]1C(=C(C(=O)C1)CC=C)C,302.408,4.002,89.022,43.37,29,0,3,ZCVAOQKBXKSDMS-PVAVHDDUSA-N,C19H26O3,C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1",-4.8298,-3.3185,-3.2829,-1.8019999999999998,-1.2613,-1.1046,0.838,0.9292,1.1604,1.2672,1.5355,D07530_P03AC02,100080000000022402000080000200000000008000c0400000042000001420001008000000800001800a00002100000001200202102041200000000000008200081008000004000000008001008002140090004000000040088010000000000102040000000000020008200000001c0080030180000100000000008140000500,14000000302005,1f0000000000010000009000000000000001000000000000000000000000000000000040407805,0000200002000200020a0081048808e48950b2d618,0,0,44,5,0,6,48,49,-9.682,-0.34299999999999997,3,2.0,0.37674760799999996,+,5.9772,-,5.9772,https://www.genome.jp/dbget-bin/www_bget?dr:D07530
4859,D08357, Phenothrin (INN)," Pyrethrines, incl. synthetic compounds",P03AC03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1([C@H](C1(C)C)C=C(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1,350.45099999999996,5.7605,104.431,35.53,29,0,3,SBNFWQZLDJGRLK-RTWAWAEBSA-N,C23H26O3,CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21+/m1/s1",-4.88,-3.2799,-1.8357,-1.2746,-0.7411,-0.6966,0.4352,0.4807,0.4864,0.5621,1.5368,D08357_P03AC03,00000002000400440000028080020000000020800040480000200080000400001000400000800001200a000820004000012202020020480000000002000082000810080205040001000001010280020400900040000000004888100000010000000400000000000200400000101008000003018008010020080000c900000100,04000000b03005,1d0004000000000000009000000000000000000000000000000000000000000000000200402805,0000200000000200020a0000049001640050b3d71e,0,12,40,2,0,7,52,54,-9.365,0.129,2,0.0,0.768209219,+,4.6407,-,4.6407,https://www.genome.jp/dbget-bin/www_bget?dr:D08357
4860,D05443, Permethrin (USAN/INN)," Pyrethrines, incl. synthetic compounds",P03AC04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1([C@H](C1(C)C)C=C(Cl)Cl)C(=O)OCc1cccc(c1)Oc1ccccc1,391.288,6.1133,104.40899999999999,35.53,23,0,3,RLLPVAHGXHCWKJ-MJGOQNOKSA-N,C21H20Cl2O3,ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1",-4.8757,-3.2743,-1.8371,-1.284,-0.7377,-0.6987,0.44299999999999995,0.4834,0.5112,0.5802,1.5358,D05443_P03AC04,000002020004004c0000028080020000000520800000080000200080400440001000400000000001a00b000820084000010202000020480000000002000082000810080205040001000001010280000400900040000000004888100000010000000400008000000200400000101008000003018008010020080000c900000100,04000000b03005,0d0004000000000008009000000000000000000000000000000000000000000000000200402805,0000300000000000020a0000449401642040b3d71e,0,12,34,2,0,7,46,48,-9.375,0.105,2,-2.0,0.9242241379999999,+,4.6486,-,4.6486,https://www.genome.jp/dbget-bin/www_bget?dr:D05443
4861,D01138, Benzyl benzoate (JP17/USP)," Other ectoparasiticides, incl. scabicides",P03AX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1cccc(c1)C(=O)OCc1ccccc1,212.24400000000003,3.0436,62.2085,26.3,14,0,2,SESFRYSPDFLNCH-UHFFFAOYSA-N,C14H12O2,O=C(c1ccccc1)OCc1ccccc1,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",-4.2576,-2.9007,-1.8304,-1.2711,-0.5802,-0.5514,0.4343,0.4935,0.5099,0.5287,1.5346,D01138_P03AX01,00000000000000c00000020000020000000000000000080000200080000400000400400000000000200a0208000000000000000000000000000200020000020008000802000000000000010000800000008000400000000040080000000100000000000000000000004000001000000000020100000100000008000000000000,04000000303005,000000000000000000009000000000000001000000000000000000000000000000000240402000,00000000000000000000000000100024000001571e,0,12,16,1,0,4,28,29,-9.99,-0.264,0,,0.287194848,+,0.2522,+,0.2522,https://www.genome.jp/dbget-bin/www_bget?dr:D01138
4862,D00534, Malathion (USP)," Other ectoparasiticides, incl. scabicides",P03AX03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@H](SP(=S)(OC)OC)(CC(=O)OCC)C(=O)OCC,330.358,2.7724,78.083,138.26,27,0,8,JXSJBGJIGXNWCI-MRVPVSSYSA-N,C10H19O6PS2,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m1/s1",-7.3357,-7.1509,-7.1416,-4.7669,-4.3866,-4.3583,1.9244,2.0713,2.2222,2.2353,2.4503,D00534_P03AX03,80920105000000000000100002522000402100200000000005808a00000440001000000000040081000a0004200000000104400200004030010100002000420008100800000800000400040001800004009000400000000000000000002000210004000220400000000000000402200000035520810010000000200000000400,04000000302004,030000000000000000009000000000000000000000000000000000800000200000000000402805,000000100000000004018110209a02ac8b1a1ad708,0,0,34,3,0,11,38,37,-9.033,-2.6719999999999997,1,,,-,1.3198,-,1.3198,https://www.genome.jp/dbget-bin/www_bget?dr:D00534
4863,D00077, Benzyl alcohol (JP17/NF/INN)," Other ectoparasiticides, incl. scabicides",P03AX06,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(ccccc1)CO,108.13799999999999,1.1789,32.5698,20.23,9,1,1,WVDDGKGOMKODPV-UHFFFAOYSA-N,C7H8O,OCc1ccccc1,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",-2.9177,-0.5816,-0.4447,-0.4362,-0.3627,-0.3625,0.3341,0.3345,0.4501,0.4552,0.5838,D00077_P03AX06,0000000000000040000002000000000000000000000000000000008000000000000040000000000020000008000000000000000000000000000000020000000008000800000000000000000000000000008000400000000040080000000100000000000000000000004000000000000000020100000100000000000000000000,0000001c00b001,001800000000000000000000000000000000000000000000000000000000000000000200402000,00000000000000000000020000100000000400151e,0,6,10,0,0,1,16,16,-10.083,0.447,0,1.0,0.010667477,-,0.3105,-,0.3105,https://www.genome.jp/dbget-bin/www_bget?dr:D00077
4864,D07761, Cyfluthrin (BAN), Pyrethrines,P03BA01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@@H]1([C@@H](C1(C)C)C(=O)O[C@H](c1cc(c(cc1)F)Oc1ccccc1)C#N)C=C(Cl)Cl,434.288,6.317080000000001,108.92299999999999,59.32,22,0,4,QQODLKZGRKWIFG-ZAAXVRCTSA-N,C22H18Cl2FNO3,N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,"InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3/t15-,18-,20+/m0/s1",-4.8942,-3.2717,-2.6895,-2.4889,-1.9275,-1.8817,0.8897,1.0219,1.0403,1.5387,2.2204,D07761_P03BA01,800602020004004c0280028080020000110520900000080000200080400440001000500000048001a00b0028200840000102120000204800800200020008c2000c100e02050c000100100121028000040090004000000008488818000001000000040000800000021040000010100800000301c208011020080000cb00000100,04000000b03015,0d0004000000000008009000000000001000000000080000000000000000000000000200402805,0000300000030000020a40404484016420c0b3d21f,1,12,34,2,1,7,47,49,-9.497,-0.39799999999999996,3,0.0,0.937168896,-,4.7676,-,4.7676,https://www.genome.jp/dbget-bin/www_bget?dr:D07761
4865,D07763, Cypermethrin (BAN), Pyrethrines,P03BA02,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1([C@H](C(=O)O[C@@H](c2cccc(c2)Oc2ccccc2)C#N)C1(C)C)C=C(Cl)Cl,416.29699999999997,6.177980000000001,108.965,59.32,23,0,4,KAATUXNTWXVJKI-QWFCFKBJSA-N,C22H19Cl2NO3,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20-/m1/s1",-4.8136,-3.2802,-2.6661,-2.4889,-1.9275,-1.8557,0.8705,1.0268,1.0275,1.534,2.2203,D07763_P03BA02,800402020004004c0200028080020000100520900000080000200080400440001000500000048001a00b0008200840000102020000204800000000020000c2000c100e0205040001000001210280000400900040000000084888180000010000000400008000000200400000101008000003018008011020080000cb00000100,04000000b03015,0d0004000000000008009000000000001000000000000000000000000000000000000200402805,0000300000010000020a0040448401642040b3d21f,0,12,34,2,1,7,47,49,-9.58,-0.126,3,-1.0,0.910688818,+,4.5339,-,4.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D07763
4866,D07785, Deltamethrin (BAN), Pyrethrines,P03BA03,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",c1(ccccc1)Oc1cccc(c1)[C@H](OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br)C#N,505.199,6.4901800000000005,115.113,59.32,23,0,4,OWZREIFADZCYQD-NSHGMRRFSA-N,C22H19Br2NO3,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",-4.8361,-3.2868,-2.682,-2.4943,-1.9225,-1.8958,1.003,1.1518,1.1909,1.5445,2.1519999999999997,D07785_P03BA03,80040002080400640200028880020000100020900000080000200080000400001000500000048001200a0008200040000102020000204800000000020000c2000c100e0205040001000001210280000420900040000000084888180000010000000400000000000200400000101008000003018008011020088000cb00140100,04000000b03015,0d0004000000000020009000000000001000000000000000000000000000000000000200402805,0000300000210000020a0040048401642040b3d21f,0,12,34,2,1,7,47,49,-9.475,-0.163,3,0.0,0.948294163,+,4.6172,-,4.6172,https://www.genome.jp/dbget-bin/www_bget?dr:D07785
4867,D07368, Tetramethrin (INN), Pyrethrines,P03BA04,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",[C@H]1([C@H](C1(C)C)C(=O)OCN1C(=O)C2=C(C1=O)CCCC2)C=C(C)C,331.406,2.9028,94.39299999999999,63.68,30,0,5,CXBMCYHAMVGWJQ-CABCVRRESA-N,C19H25NO4,O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1",-4.8457,-4.155,-4.1525,-3.2886,-2.7518,-2.7415,1.5345,1.7066,2.0793,2.0812,2.4381,D07368_P03BA04,002200000000028c0100048000020010000120900040400002100008000000003800100000800001d00f0410000002000122000200286100200108000000822008011a0000040000000101010a81020400900140000020008880100000020001020400a080002200008000080000080800050180000010080090408110000100,0400000030a005,1f0000000000000000009000400000000001000000000000000000000000000000004440407805,0000200a00000200020e14891db130e781593eff1d,0,0,46,5,0,5,49,51,-9.482000000000001,-1.181,2,1.0,0.283137292,+,6.4992,-,6.4992,https://www.genome.jp/dbget-bin/www_bget?dr:D07368
4868,D02379, Diethyltoluamide (USP/INN), Other insecticides and repellents,P03BX01,"ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS",N(CC)(CC)C(=O)c1cc(ccc1)C,191.269,2.477,58.9195,20.31,19,0,2,MMOXZBCLCQITDF-UHFFFAOYSA-N,C12H17NO,CCN(C(=O)c1cccc(c1)C)CC,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",-3.6729,-3.5993,-1.963,-1.9272,-0.8966,-0.6716,0.4479,0.4489,0.5234,0.9076,0.9439,D02379_P03BX01,000200000000048001000600000100000000008000000008000000c0000000000c0040000000000000860208000000000000000000000000000000020000000008000008000400000000000002880000008000400000200040080000000000000010000200000010000000000100000000060100000100000008000000000000,0400000000b001,010000000000000000008000120000000001000000000000000000000000000000000240402000,00000000000000000000300808201a02001218af1f,0,6,24,1,0,4,31,31,-9.565,0.099,0,0.0,0.10383407800000001,+,0.1857,-,0.1857,https://www.genome.jp/dbget-bin/www_bget?dr:D02379
4869,D07370, Cyclopentamine (INN)," Sympathomimetics, plain",R01AA02,RESPIRATORY SYSTEM,C1(C[C@H]([NH2+]C)C)CCCC1,142.262,1.1484,47.3224,16.61,20,1,0,HFXKQSZZZPGLKQ-MRVPVSSYSA-O,C9H20N+,CC(CC1CCCC1)[NH2+]C,"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/p+1/t8-/m1/s1",-5.7153,-5.6883,-4.3992,-4.3267,0.0,0.0,1.4222,1.5530000000000002,1.5628,1.5751,1.5917,D07370_R01AA02,0002000000000200000004010000000000000010000000000000000000000000100010000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000200080000000000000000000000000000000000000000000000000040000000010000000000100000000,0100000000e001,070040010400000000000000000000000000000000000000000000000000000000000000c02204,00000000000001000000089480482c80010054ac11,0,0,30,0,0,3,30,30,-13.995999999999999,-4.052,1,1.0,6.04849e-05,+,0.8827,+,0.8827,https://www.genome.jp/dbget-bin/www_bget?dr:D07370
4870,D08322, Oxymetazoline (INN)," Sympathomimetics, plain",R01AA05,RESPIRATORY SYSTEM,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.2363,-5.2232,-5.0779,-5.0659,-3.8099,-3.7915,1.8567,1.8582,1.9151,1.9173,2.2419,D08322_R01AA05,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.945,-4.539,0,-1.0,0.003326713,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D08322
4871,D08322, Oxymetazoline (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB07,RESPIRATORY SYSTEM,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.2387,-5.2161,-5.0827,-5.0457,-3.8077,-3.8042,1.8567,1.8594,1.9140000000000001,1.9198,2.2448,D08322_R01AB07,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.945,-4.539,0,-1.0,0.003326713,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D08322
4872,D08322, Oxymetazoline (INN), Sympathomimetics used as decongestants,S01GA04,SENSORY ORGANS,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.2395,-5.2169,-5.0826,-5.0423,-3.8117,-3.8085,1.8587,1.8605,1.9135,1.9191,2.2409,D08322_S01GA04,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.945,-4.539,0,-1.0,0.003326713,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D08322
4873,D01022, Oxymetazoline hydrochloride (JAN/USP)," Sympathomimetics, plain",R01AA05,RESPIRATORY SYSTEM,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.24,-5.2176,-5.0848,-5.0453,-3.8108,-3.8031,1.8571,1.8587,1.9143,1.9199,2.2407,D01022_R01AA05,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.924000000000001,-4.6160000000000005,0,1.0,0.003327616,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D01022
4874,D01022, Oxymetazoline hydrochloride (JAN/USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB07,RESPIRATORY SYSTEM,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.2362,-5.2276,-5.0753,-5.0569,-3.8101,-3.7949,1.8573,1.8587,1.9157,1.9171,2.2421,D01022_R01AB07,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.924000000000001,-4.6160000000000005,0,1.0,0.003327616,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D01022
4875,D01022, Oxymetazoline hydrochloride (JAN/USP), Sympathomimetics used as decongestants,S01GA04,SENSORY ORGANS,c1(c(c(c(cc1C)C(C)(C)C)O)C)CC1=[NH]CCN1,261.382,2.8293,89.6304,56.11,28,3,2,FHDGSHCORGNSFL-UHFFFAOYSA-N,C16H25N2O,Cc1cc(c(c(c1CC1=[NH]CCN1)C)O)C(C)(C)C,"InChI=1S/C16H25N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,17-19H,6-7,9H2,1-5H3",-5.2384,-5.2155,-5.0814,-5.0425,-3.8071,-3.8051,1.8601,1.8606,1.9131,1.9183,2.244,D01022_S01GA04,0006000000000040028006001000000c0008000000000240000000808000000010084083014800400000203800002000000222000000000000000002000a000008201800000000000800200042001000008800401000211843080820800100000002000000000012000000802100000000060100000130200808004204000000,0000000402b001,0b0040010000000000008000000000000000000000010000000000000000000000000600402800,00000000200420000272068688c0e9c105f7f4bd1f,0,6,38,1,0,3,44,45,-11.924000000000001,-4.6160000000000005,0,1.0,0.003327616,+,0.4954,-,0.4954,https://www.genome.jp/dbget-bin/www_bget?dr:D01022
4876,D08578, Tetryzoline (INN)," Sympathomimetics, plain",R01AA06,RESPIRATORY SYSTEM,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D08578_R01AA06,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.878,-4.941,1,0.0,0.0017407820000000002,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D08578
4877,D08578, Tetryzoline (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB03,RESPIRATORY SYSTEM,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D08578_R01AB03,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.878,-4.941,1,0.0,0.0017407820000000002,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D08578
4878,D08578, Tetryzoline (INN), Sympathomimetics used as decongestants,S01GA02,SENSORY ORGANS,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D08578_S01GA02,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.878,-4.941,1,0.0,0.0017407820000000002,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D08578
4879,D00756, Tetrahydrozoline nitrate (JAN)," Sympathomimetics, plain",R01AA06,RESPIRATORY SYSTEM,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D00756_R01AA06,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.874,-4.939,1,,0.0017428979999999999,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D00756
4880,D00756, Tetrahydrozoline nitrate (JAN)," Sympathomimetics, combinations excl. corticosteroids",R01AB03,RESPIRATORY SYSTEM,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D00756_R01AB03,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.874,-4.939,1,,0.0017428979999999999,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D00756
4881,D00756, Tetrahydrozoline nitrate (JAN), Sympathomimetics used as decongestants,S01GA02,SENSORY ORGANS,c1ccc2c(c1)CCC[C@@H]2C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2324,-5.2313,-5.0711,-5.0593,-3.8115,-3.8014,1.86,1.8612,1.9157,1.9234,2.2408,D00756_S01GA02,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.874,-4.939,1,,0.0017428979999999999,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D00756
4882,D01023, Tetrahydrozoline hydrochloride (JAN/USP," Sympathomimetics, plain",R01AA06,RESPIRATORY SYSTEM,[C@H]1(c2c(CCC1)cccc2)C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2327,-5.2317,-5.0711,-5.0592,-3.8115,-3.8012,1.8601,1.8613,1.9157,1.9234,2.2408,D01023_R01AA06,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.882,-4.935,1,,0.0017779270000000001,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D01023
4883,D01023, Tetrahydrozoline hydrochloride (JAN/USP," Sympathomimetics, combinations excl. corticosteroids",R01AB03,RESPIRATORY SYSTEM,[C@H]1(c2c(CCC1)cccc2)C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2327,-5.2317,-5.0711,-5.0592,-3.8115,-3.8012,1.8601,1.8613,1.9157,1.9234,2.2408,D01023_R01AB03,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.882,-4.935,1,,0.0017779270000000001,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D01023
4884,D01023, Tetrahydrozoline hydrochloride (JAN/USP, Sympathomimetics used as decongestants,S01GA02,SENSORY ORGANS,[C@H]1(c2c(CCC1)cccc2)C1=[NH]CCN1,201.287,2.0868,70.8714,35.88,19,2,1,FSPMAWFBNKBPGL-LBPRGKRZSA-N,C13H17N2,C1C[NH]=C(N1)C1CCCc2c1cccc2,"InChI=1S/C13H17N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12,14-15H,3,5,7-9H2/t12-/m0/s1",-5.2327,-5.2317,-5.0711,-5.0592,-3.8115,-3.8012,1.8601,1.8613,1.9157,1.9234,2.2408,D01023_S01GA02,0006000000000040028006001200000c0008001000000040010000808000000010085083014800401000213801012000010222000020000000000002000a0000000010000000000008002000420010000080814018003118c30808208008000001200020000000100200000020000000000e0100020130000000000106000000,0000000000b001,060040010000000000008000000000000000000000000000000000000000000000004600402804,0000000020042020007006869841e08104a3452917,0,6,27,1,0,1,32,34,-12.882,-4.935,1,,0.0017779270000000001,+,0.9389,-,0.9389,https://www.genome.jp/dbget-bin/www_bget?dr:D01023
4885,D08684, Xylometazoline (INN)," Sympathomimetics, plain",R01AA07,RESPIRATORY SYSTEM,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.2396,-5.2204,-5.0763,-5.0483,-3.8091,-3.8044,1.8597,1.86,1.9144,1.9221,2.244,D08684_R01AA07,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.571,-4.8,0,-1.0,0.008795227,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D08684
4886,D08684, Xylometazoline (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB06,RESPIRATORY SYSTEM,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.239,-5.2202,-5.0789,-5.0494,-3.8079,-3.8049,1.8582,1.859,1.9145,1.9222,2.2429,D08684_R01AB06,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.571,-4.8,0,-1.0,0.008795227,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D08684
4887,D08684, Xylometazoline (INN), Sympathomimetics used as decongestants,S01GA03,SENSORY ORGANS,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.236000000000001,-5.2223,-5.0692,-5.0603,-3.8137,-3.7960000000000003,1.8585,1.8598,1.9146,1.9201,2.2430000000000003,D08684_S01GA03,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.571,-4.8,0,-1.0,0.008795227,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D08684
4888,D00757, Xylometazoline hydrochloride (USP)," Sympathomimetics, plain",R01AA07,RESPIRATORY SYSTEM,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.2308,-5.2172,-5.0715,-5.0712,-3.8077,-3.7975,1.8606,1.8619999999999999,1.9151,1.9193,2.2429,D00757_R01AA07,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.536,-5.05,0,0.0,0.008804972,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D00757
4889,D00757, Xylometazoline hydrochloride (USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB06,RESPIRATORY SYSTEM,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.2371,-5.2213,-5.0785,-5.0658,-3.8082,-3.7994,1.8576,1.8583,1.9168,1.9217,2.24,D00757_R01AB06,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.536,-5.05,0,0.0,0.008804972,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D00757
4890,D00757, Xylometazoline hydrochloride (USP), Sympathomimetics used as decongestants,S01GA03,SENSORY ORGANS,c1(c(cc(cc1C)C(C)(C)C)C)CC1=[NH]CCN1,245.38299999999998,3.1237,87.6074,35.88,27,2,1,JKLKWHBVFDKUMC-UHFFFAOYSA-N,C16H25N2,Cc1cc(cc(c1CC1=[NH]CCN1)C)C(C)(C)C,"InChI=1S/C16H25N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9,17-18H,6-7,10H2,1-5H3",-5.2348,-5.2328,-5.0761,-5.0569999999999995,-3.8093,-3.7963,1.8581,1.8592,1.9175,1.9197,2.2412,D00757_S01GA03,0006000000000040028006001000000c0008000000000040000000808000000010084083014800400000203800002000000220000000000000000002000a000008001800000000000800200042001000008800401000211843080820800100000000000000000010000000002100000000060100000130000000000004000000,0000000000b001,0b0040010000000000008000000000000000000000000000000000000000000000000600402800,00000000200420000272068688c0e88105b374ad17,0,6,37,1,0,3,43,44,-12.536,-5.05,0,0.0,0.008804972,+,0.56,-,0.56,https://www.genome.jp/dbget-bin/www_bget?dr:D00757
4891,D08253, Naphazoline (INN)," Sympathomimetics, plain",R01AA08,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2343,-5.2281,-5.0698,-5.0576,-3.8162,-3.7985,1.8582,1.8597,1.9143,1.9171,2.2425,D08253_R01AA08,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.699000000000002,-5.004,0,1.0,0.001500231,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D08253
4892,D08253, Naphazoline (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB02,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2344,-5.2281,-5.0721,-5.0551,-3.8103,-3.801,1.8587,1.8591,1.9146,1.9187,2.2422,D08253_R01AB02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.699000000000002,-5.004,0,1.0,0.001500231,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D08253
4893,D08253, Naphazoline (INN), Sympathomimetics used as decongestants,S01GA01,SENSORY ORGANS,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2369,-5.2258,-5.0744,-5.0574,-3.8104,-3.7999,1.8601,1.861,1.9134,1.9214,2.2422,D08253_S01GA01,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.699000000000002,-5.004,0,1.0,0.001500231,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D08253
4894,D00743, Naphazoline hydrochloride (JP17/USP)," Sympathomimetics, plain",R01AA08,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.234,-5.2286,-5.0719,-5.0549,-3.8112,-3.801,1.8583,1.859,1.9147,1.9186,2.2422,D00743_R01AA08,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.702,-5.004,0,0.0,0.001454687,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D00743
4895,D00743, Naphazoline hydrochloride (JP17/USP)," Sympathomimetics, combinations excl. corticosteroids",R01AB02,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2341,-5.2281,-5.0747,-5.0541,-3.8155,-3.7978,1.8584,1.8591,1.9134,1.9181,2.2424,D00743_R01AB02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.702,-5.004,0,0.0,0.001454687,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D00743
4896,D00743, Naphazoline hydrochloride (JP17/USP), Sympathomimetics used as decongestants,S01GA01,SENSORY ORGANS,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.235,-5.2273,-5.0728,-5.0567,-3.8114,-3.8006,1.8585,1.8591,1.9138,1.9184,2.2424,D00743_S01GA01,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.702,-5.004,0,0.0,0.001454687,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D00743
4897,D01021, Naphazoline nitrate (JP17)," Sympathomimetics, plain",R01AA08,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2342,-5.2323,-5.0725,-5.0596,-3.8112,-3.7986,1.8585,1.8596,1.9139,1.9181,2.2426,D01021_R01AA08,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.704,-5.004,0,0.0,0.0015001020000000001,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D01021
4898,D01021, Naphazoline nitrate (JP17)," Sympathomimetics, combinations excl. corticosteroids",R01AB02,RESPIRATORY SYSTEM,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2335,-5.2287,-5.0753,-5.0533,-3.8153,-3.7978,1.8584,1.8592,1.9137,1.9180000000000001,2.2424,D01021_R01AB02,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.704,-5.004,0,0.0,0.0015001020000000001,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D01021
4899,D01021, Naphazoline nitrate (JP17), Sympathomimetics used as decongestants,S01GA01,SENSORY ORGANS,c12c(CC3=[NH]CCN3)cccc1cccc2,211.282,2.3626,75.9114,35.88,17,2,1,ADWJNUKWNXHPSB-UHFFFAOYSA-N,C14H15N2,C1C[NH]=C(N1)Cc1cccc2c1cccc2,"InChI=1S/C14H15N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7,15-16H,8-10H2",-5.2326,-5.2301,-5.0709,-5.0553,-3.8128,-3.7998,1.8583,1.8594,1.9139,1.9173,2.2424,D01021_S01GA01,0006000000000040028006001000000c00080000000000400000008080000000100840830108004008002038000020000002200000000000000000020008000000001000000000000800000002001000008000401000211843080820800000000000000000000010000000000000000000060100000130000000000000000000,0000000000b001,020040010000000000008000000000000000000000000000000000000000000000004600402800,0000000020042000007006869841e0810523452d17,0,11,21,1,0,2,31,33,-11.704,-5.004,0,0.0,0.0015001020000000001,+,0.5339,-,0.5339,https://www.genome.jp/dbget-bin/www_bget?dr:D01021
4900,D08624, Tramazoline (INN)," Sympathomimetics, plain",R01AA09,RESPIRATORY SYSTEM,c1c(c2c(cc1)CCCC2)NC1=[NH]CCN1,216.30200000000002,1.9881,75.3701,47.91,21,3,2,AGGQVPRUMBOGJI-UHFFFAOYSA-N,C13H18N3,C1C[NH]=C(N1)Nc1cccc2c1CCCC2,"InChI=1S/C13H18N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7,14-16H,1-2,4,6,8-9H2",-8.5185,-8.4977,-6.5481,-5.4152,-5.3978,-3.7609,2.7266,2.9496,2.9827,3.2835,3.2971,D08624_R01AA09,0046002480010000020006009280400a8010000000000040010000808000140010004000004002200000012800012244410004000820000820004002008a040000001000400002000c08200880200000008000401400301852080a000008400001200001040402010200000000000000000e0100020100401000000106000000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600402800,0000000100042000007006869843e08155a3452917,0,6,29,1,0,2,34,36,-12.732999999999999,-5.796,0,1.0,0.000285157,+,0.7226,-,0.7226,https://www.genome.jp/dbget-bin/www_bget?dr:D08624
4901,D01347, Tramazoline hydrochloride (JAN/USAN)," Sympathomimetics, plain",R01AA09,RESPIRATORY SYSTEM,c1c(c2c(cc1)CCCC2)NC1=[NH]CCN1,216.30200000000002,1.9881,75.3701,47.91,21,3,2,AGGQVPRUMBOGJI-UHFFFAOYSA-N,C13H18N3,C1C[NH]=C(N1)Nc1cccc2c1CCCC2,"InChI=1S/C13H18N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7,14-16H,1-2,4,6,8-9H2",-8.5139,-8.495,-6.5536,-5.4134,-5.3958,-3.7577,2.7264,2.9497,2.9827,3.2836,3.2972,D01347_R01AA09,0046002480010000020006009280400a8010000000000040010000808000140010004000004002200000012800012244410004000820000820004002008a040000001000400002000c08200880200000008000401400301852080a000008400001200001040402010200000000000000000e0100020100401000000106000000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600402800,0000000100042000007006869843e08155a3452917,0,6,29,1,0,2,34,36,-12.73,-5.796,0,0.0,0.003157068,+,0.7226,-,0.7226,https://www.genome.jp/dbget-bin/www_bget?dr:D01347
4902,D05006, Metizoline hydrochloride (USAN)," Sympathomimetics, plain",R01AA10,RESPIRATORY SYSTEM,c1ccc2c(c1)sc(c2CC1=[NH]CCN1)C,231.33700000000002,2.7325,78.7544,64.12,17,2,2,OTPMQDURZLMZCZ-UHFFFAOYSA-N,C13H15N2S,Cc1sc2c(c1CC1=[NH]CCN1)cccc2,"InChI=1S/C13H15N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5,14-15H,6-8H2,1H3",-5.2296,-5.2271,-5.0701,-5.0594,-3.8124,-3.799,1.8575,1.8592,1.9128,1.9162,2.2427,D05006_R01AA10,000fc10000000140028006001000000c0408001000000140000000848240000210084083814800408800a07800002000004220000000000008000002000a00000800300082310000090020005a001000808001401002211843280820800000000000000080000010000000002000180000060182000930000000001104000100,0000000000b001,03004001000000000000800000000000000000000000c000000000000000000000004600402800,0000000028042000007087869841e88105a364ad17,0,10,22,1,0,2,31,33,-11.487,-4.949,0,1.0,0.0037946359999999997,+,1.1027,-,1.1027,https://www.genome.jp/dbget-bin/www_bget?dr:D05006
4903,D07371, Tuaminoheptane (INN)," Sympathomimetics, plain",R01AA11,RESPIRATORY SYSTEM,CCCCC[C@@H](C)[NH3+],116.225,1.1971,39.7281,27.64,18,1,0,VSRBKQFNFZQRBM-SSDOTTSWSA-O,C7H18N+,CCCCCC([NH3+])C,"InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1/t7-/m1/s1",-5.3868,-5.3728,-5.3657,-4.1468,0.0,0.0,1.5502,1.5512,1.5552,1.7578,1.7584,D07371_R01AA11,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e000,0300c0000400000000000000000000000000000000000000000000000000000000000000c02204,00000000000001000000000680482e00010054ac01,0,0,25,0,0,4,26,25,-14.2,-4.135,1,-2.0,,+,0.9652,-,0.9652,https://www.genome.jp/dbget-bin/www_bget?dr:D07371
4904,D07371, Tuaminoheptane (INN)," Sympathomimetics, combinations excl. corticosteroids",R01AB08,RESPIRATORY SYSTEM,CCCCC[C@@H](C)[NH3+],116.225,1.1971,39.7281,27.64,18,1,0,VSRBKQFNFZQRBM-SSDOTTSWSA-O,C7H18N+,CCCCCC([NH3+])C,"InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1/t7-/m1/s1",-5.3796,-5.3735,-5.3691,-4.146,0.0,0.0,1.5502,1.5512,1.5545,1.7568,1.7601,D07371_R01AB08,0000000000000200000004000000000000000000000000000000000000000000100000000000000010000010000000000100000000200000000000000000000000000000000000000000000000000000000001400000000080000000000000000000000000000000000000000000000000040000000000000000000100000000,0100000000e000,0300c0000400000000000000000000000000000000000000000000000000000000000000c02204,00000000000001000000000680482e00010054ac01,0,0,25,0,0,4,26,25,-14.2,-4.135,1,-2.0,,+,0.9652,-,0.9652,https://www.genome.jp/dbget-bin/www_bget?dr:D07371
4905,D07372, Fenoxazoline (INN)," Sympathomimetics, plain",R01AA12,RESPIRATORY SYSTEM,c1ccc(c(c1)OCC1=[NH]CCN1)C(C)C,219.303,2.1691,74.5114,45.11,22,2,2,IGJRQPVTSGDBKB-UHFFFAOYSA-N,C13H19N2O,CC(c1ccccc1OCC1=[NH]CCN1)C,"InChI=1S/C13H19N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10,14-15H,7-9H2,1-2H3",-5.2364,-5.225,-5.0769,-5.053999999999999,-3.8131,-3.7929,1.8596,1.9095,1.9391,2.2408,2.248,D07372_R01AA12,000600000000000002800600100304080100000000000040000000c080000000100040020000001200000428000020000000020020000000008012220008001008201800011010010800000002008000008000601000201843080800000001010002000008000012000001808010000002260100080120200800000000200004,0000000050b001,050042010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007206c68850e1e105e3f4bd1f,0,6,29,1,0,4,35,36,-12.543,-5.178,0,1.0,0.0007537039999999999,+,0.2867,-,0.2867,https://www.genome.jp/dbget-bin/www_bget?dr:D07372
4906,D07373, Tymazoline (BAN)," Sympathomimetics, plain",R01AA13,RESPIRATORY SYSTEM,c1cc(cc(c1C(C)C)OCC1=[NH]CCN1)C,233.329,2.4775,79.4774,45.11,24,2,2,JFVIRSSLRNKCFJ-UHFFFAOYSA-N,C14H21N2O,Cc1ccc(c(c1)OCC1=[NH]CCN1)C(C)C,"InChI=1S/C14H21N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10,15-16H,6-7,9H2,1-3H3",-5.2375,-5.2259,-5.0729,-5.0483,-3.8159,-3.7971,1.8618,1.9115,1.9392,2.2407,2.2529,D07373_R01AA13,000600000000000002800600100304080100000000000040000000c080000000100040020000001200000428000020000002020020000800008012220008001008201800011010018800000002008000008800601000201843080800000101010002000008000012000001808010000002260100080120200800004000200004,0000000050b001,050042010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007206c68850e1e105f3f4bd1f,0,6,32,1,0,4,38,39,-12.039000000000001,-4.9719999999999995,0,3.0,0.0018096689999999999,+,0.3348,-,0.3348,https://www.genome.jp/dbget-bin/www_bget?dr:D07373
4907,D08658, Tymazoline hydrochloride," Sympathomimetics, plain",R01AA13,RESPIRATORY SYSTEM,c1cc(cc(c1C(C)C)OCC1=[NH]CCN1)C,233.329,2.4775,79.4774,45.11,24,2,2,JFVIRSSLRNKCFJ-UHFFFAOYSA-N,C14H21N2O,Cc1ccc(c(c1)OCC1=[NH]CCN1)C(C)C,"InChI=1S/C14H21N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10,15-16H,6-7,9H2,1-3H3",-5.2363,-5.2231,-5.0734,-5.0569999999999995,-3.8085,-3.8007,1.8601,1.9123,1.9332,2.2404,2.2513,D08658_R01AA13,000600000000000002800600100304080100000000000040000000c080000000100040020000001200000428000020000002020020000800008012220008001008201800011010018800000002008000008800601000201843080800000101010002000008000012000001808010000002260100080120200800004000200004,0000000050b001,050042010000000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007206c68850e1e105f3f4bd1f,0,6,32,1,0,4,38,39,-12.039000000000001,-4.968999999999999,0,0.0,0.0018087379999999998,+,0.3348,-,0.3348,https://www.genome.jp/dbget-bin/www_bget?dr:D08658
4908,D08075, Indanazoline (INN)," Sympathomimetics, plain",R01AA15,RESPIRATORY SYSTEM,c1ccc2c(c1NC1=[NH]CCN1)CCC2,202.27599999999998,1.598,70.5631,47.91,19,3,2,UVPHKTVHZQBODC-UHFFFAOYSA-N,C12H16N3,C1C[NH]=C(N1)Nc1cccc2c1CCC2,"InChI=1S/C12H16N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6,13-15H,1,3,5,7-8H2",-8.5116,-8.485,-6.561,-5.4109,-5.4034,-3.7567,2.7326,2.9476,2.9768,3.2688,3.3118,D08075_R01AA15,0046002480010000020006009080400a80100000000000400000008080001400100040000040022000000128000122444100040008000008200040020088040000001200400002000c18200880200000008000401400301852080a000008400001200001040402010200000000000000000e0100020100401000000106000000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600402800,0000000100042000007006869843e00155a3442917,0,6,26,1,0,2,31,33,-12.809000000000001,-5.542000000000001,0,0.0,0.001783986,+,0.8175,-,0.8175,https://www.genome.jp/dbget-bin/www_bget?dr:D08075
4909,D08076, Indanazoline hydrochloride," Sympathomimetics, plain",R01AA15,RESPIRATORY SYSTEM,c1ccc2c(c1NC1=[NH]CCN1)CCC2,202.27599999999998,1.598,70.5631,47.91,19,3,2,UVPHKTVHZQBODC-UHFFFAOYSA-N,C12H16N3,C1C[NH]=C(N1)Nc1cccc2c1CCC2,"InChI=1S/C12H16N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6,13-15H,1,3,5,7-8H2",-8.5108,-8.4843,-6.555,-5.4111,-5.404,-3.7618,2.73,2.9471,2.9767,3.2680000000000002,3.3089999999999997,D08076_R01AA15,0046002480010000020006009080400a80100000000000400000008080001400100040000040022000000128000122444100040008000008200040020088040000001200400002000c18200880200000008000401400301852080a000008400001200001040402010200000000000000000e0100020100401000000106000000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600402800,0000000100042000007006869843e00155a3442917,0,6,26,1,0,2,31,33,-12.811,-5.5520000000000005,0,-1.0,0.0017856439999999999,+,0.8175,-,0.8175,https://www.genome.jp/dbget-bin/www_bget?dr:D08076
4910,D08117, Levocabastine (INN)," Antiallergic agents, excl. corticosteroids",R01AC02,RESPIRATORY SYSTEM,c1(ccc(cc1)F)[C@]1(CC[C@@H](CC1)[N@H+]1CC[C@](c2ccccc2)([C@@H](C1)C)C(=O)O)C#N,421.527,5.0461800000000006,123.177,65.53,32,2,3,ZCGOMHNNNFPNMX-KYTRFIICSA-O,C26H30FN2O2+,N#CC1(CCC(CC1)[NH+]1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/p+1/t19-,23-,25-,26-/m1/s1",-6.0457,-4.5976,-4.5794,-4.5658,-4.4326,-4.4104,1.5837,1.6219,1.9129,2.3778,2.405,D08117_R01AC02,802e8000002002000a80060002000000010000100000000000000080000000001000500000048001100a003800010000010210000020400280000002000040080c000c000000044000102000028000050090015000003008c0080800000810000000002000000000100000004000100000060102020110000002000100000200,0500000c00f013,0f0040020400000000008800000000001000000000080000000000000000000000000600c02a04,0000000000030120020472068acc2c8735276dfb1f,1,12,50,1,1,4,61,64,-7.655,-1.126,3,1.0,0.281269312,-,1.5375,-,1.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D08117
4911,D08117, Levocabastine (INN), Other antiallergics,S01GX02,SENSORY ORGANS,c1(ccc(cc1)F)[C@]1(CC[C@@H](CC1)[N@H+]1CC[C@](c2ccccc2)([C@@H](C1)C)C(=O)O)C#N,421.527,5.0461800000000006,123.177,65.53,32,2,3,ZCGOMHNNNFPNMX-KYTRFIICSA-O,C26H30FN2O2+,N#CC1(CCC(CC1)[NH+]1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/p+1/t19-,23-,25-,26-/m1/s1",-6.047999999999999,-4.6021,-4.5587,-4.555,-4.445,-4.406000000000001,1.5781,1.5813,1.8366,2.3656,2.4099,D08117_S01GX02,802e8000002002000a80060002000000010000100000000000000080000000001000500000048001100a003800010000010210000020400280000002000040080c000c000000044000102000028000050090015000003008c0080800000810000000002000000000100000004000100000060102020110000002000100000200,0500000c00f013,0f0040020400000000008800000000001000000000080000000000000000000000000600c02a04,0000000000030120020472068acc2c8735276dfb1f,1,12,50,1,1,4,61,64,-7.655,-1.126,3,1.0,0.281269312,-,1.5375,-,1.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D08117
4912,D01717, Levocabastine hydrochloride (JAN/USAN)," Antiallergic agents, excl. corticosteroids",R01AC02,RESPIRATORY SYSTEM,c1(ccc(cc1)F)[C@]1(CC[C@@H](CC1)[N@H+]1CC[C@](c2ccccc2)([C@@H](C1)C)C(=O)O)C#N,421.527,5.0461800000000006,123.177,65.53,32,2,3,ZCGOMHNNNFPNMX-KYTRFIICSA-O,C26H30FN2O2+,N#CC1(CCC(CC1)[NH+]1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/p+1/t19-,23-,25-,26-/m1/s1",-6.0453,-4.5826,-4.5823,-4.5323,-4.4423,-4.4187,1.5729,1.6306,2.0242,2.1814,2.3865,D01717_R01AC02,802e8000002002000a80060002000000010000100000000000000080000000001000500000048001100a003800010000010210000020400280000002000040080c000c000000044000102000028000050090015000003008c0080800000810000000002000000000100000004000100000060102020110000002000100000200,0500000c00f013,0f0040020400000000008800000000001000000000080000000000000000000000000600c02a04,0000000000030120020472068acc2c8735276dfb1f,1,12,50,1,1,4,61,64,-7.643,-1.219,3,,0.289024591,-,1.5375,-,1.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D01717
4913,D01717, Levocabastine hydrochloride (JAN/USAN), Other antiallergics,S01GX02,SENSORY ORGANS,c1(ccc(cc1)F)[C@]1(CC[C@@H](CC1)[N@H+]1CC[C@](c2ccccc2)([C@@H](C1)C)C(=O)O)C#N,421.527,5.0461800000000006,123.177,65.53,32,2,3,ZCGOMHNNNFPNMX-KYTRFIICSA-O,C26H30FN2O2+,N#CC1(CCC(CC1)[NH+]1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/p+1/t19-,23-,25-,26-/m1/s1",-6.0448,-4.5889999999999995,-4.5806,-4.5298,-4.4489,-4.4213,1.5805,1.6476,2.0279,2.251,2.385,D01717_S01GX02,802e8000002002000a80060002000000010000100000000000000080000000001000500000048001100a003800010000010210000020400280000002000040080c000c000000044000102000028000050090015000003008c0080800000810000000002000000000100000004000100000060102020110000002000100000200,0500000c00f013,0f0040020400000000008800000000001000000000080000000000000000000000000600c02a04,0000000000030120020472068acc2c8735276dfb1f,1,12,50,1,1,4,61,64,-7.643,-1.219,3,,0.289024591,-,1.5375,-,1.5375,https://www.genome.jp/dbget-bin/www_bget?dr:D01717
4914,D07483, Azelastine (INN)," Antiallergic agents, excl. corticosteroids",R01AC03,RESPIRATORY SYSTEM,c1ccc2c(c1)c(nn(c2=O)[C@@H]1CC[N@H+](CCC1)C)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.0356,-4.649,-4.647,-4.6223,-3.6403,-1.7132,1.4398,1.6051,1.6315,1.6452,1.6480000000000001,D07483_R01AC03,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.575,-3.87,2,0.0,0.257792443,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D07483
4915,D07483, Azelastine (INN), Other antihistamines for systemic use,R06AX19,RESPIRATORY SYSTEM,c1ccc2c(c1)c(nn(c2=O)[C@@H]1CC[N@H+](CCC1)C)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.035,-4.6449,-4.6398,-4.6259,-3.6576,-1.7111,1.4383,1.599,1.6269,1.6423,1.6445,D07483_R06AX19,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.575,-3.87,2,0.0,0.257792443,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D07483
4916,D07483, Azelastine (INN), Other antiallergics,S01GX07,SENSORY ORGANS,c1ccc2c(c1)c(nn(c2=O)[C@@H]1CC[N@H+](CCC1)C)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.0348,-4.6469,-4.6349,-4.6214,-3.6505,-1.7105,1.4458,1.6033,1.6173,1.6388,1.6394,D07483_S01GX07,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.575,-3.87,2,0.0,0.257792443,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D07483
4917,D00659, Azelastine hydrochloride (JP17/USAN)," Antiallergic agents, excl. corticosteroids",R01AC03,RESPIRATORY SYSTEM,[C@H]1(CC[N@H+](CCC1)C)n1nc(c2c(c1=O)cccc2)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.0360000000000005,-4.6404,-4.6346,-4.6197,-3.6371,-1.7203,1.439,1.6006,1.6314,1.6381,1.6434,D00659_R01AC03,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.594000000000001,-3.8819999999999997,2,,0.236557305,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D00659
4918,D00659, Azelastine hydrochloride (JP17/USAN), Other antihistamines for systemic use,R06AX19,RESPIRATORY SYSTEM,[C@H]1(CC[N@H+](CCC1)C)n1nc(c2c(c1=O)cccc2)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.041,-4.6398,-4.6318,-4.6207,-3.6551,-1.7096,1.4366,1.6028,1.6257,1.6383,1.6421,D00659_R06AX19,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.594000000000001,-3.8819999999999997,2,,0.236557305,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D00659
4919,D00659, Azelastine hydrochloride (JP17/USAN), Other antiallergics,S01GX07,SENSORY ORGANS,[C@H]1(CC[N@H+](CCC1)C)n1nc(c2c(c1=O)cccc2)Cc1ccc(cc1)Cl,382.906,4.4496,116.23,39.33,27,1,3,MBUVEWMHONZEQD-SFHVURJKSA-O,C22H25ClN3O+,C[NH+]1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/p+1/t18-/m0/s1",-6.0376,-4.6397,-4.6386,-4.6217,-3.6072,-1.7175,1.4446,1.5941,1.6302,1.6349,1.6406,D00659_S01GX07,486e02000000080252000600840100010000005000010400010000e00020100410007002014880011881011c00000080410222800020600004000002000030000c200d00800000000000e401269000020088036008802008c8090cc0000420060012002100000002e200008000001c0100070100000110200844000104800000,0100000000f001,020040020400000000008000200000000001000000049900000000000000000000004640c02204,00000400000009200184727eda6dbdcb31e36daf1f,0,17,37,1,0,3,52,55,-11.594000000000001,-3.8819999999999997,2,,0.236557305,+,1.3241,-,1.3241,https://www.genome.jp/dbget-bin/www_bget?dr:D00659
4920,D07458, Antazoline (INN)," Antiallergic agents, excl. corticosteroids",R01AC04,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2536,-5.2078,-5.0677,-5.0572,-4.1769,-3.86,1.9577,2.2384,2.5877,2.7498,3.5156,D07458_R01AC04,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.255999999999998,-4.845,0,1.0,0.0042198620000000004,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D07458
4921,D07458, Antazoline (INN), Other antihistamines for systemic use,R06AX05,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2656,-5.2064,-5.0823,-5.0421,-4.18,-3.8648,1.9597,2.2449,2.6012,2.7582,3.5319,D07458_R06AX05,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.255999999999998,-4.845,0,1.0,0.0042198620000000004,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D07458
4922,D02950, Antazoline phosphate (USP)," Antiallergic agents, excl. corticosteroids",R01AC04,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2294,-5.2289,-5.0792,-5.0412,-4.1682,-3.8360000000000003,1.956,2.2453,2.6452,2.7759,3.4644,D02950_R01AC04,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.267999999999999,-4.861000000000001,0,1.0,0.004171104,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D02950
4923,D02950, Antazoline phosphate (USP), Other antihistamines for systemic use,R06AX05,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2509,-5.2088,-5.0889999999999995,-5.0486,-4.1917,-3.8742,1.9377,2.242,2.6024,2.7388,3.3159,D02950_R06AX05,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.267999999999999,-4.861000000000001,0,1.0,0.004171104,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D02950
4924,D07459, Antazoline hydrochloride," Antiallergic agents, excl. corticosteroids",R01AC04,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2486,-5.2143,-5.0631,-5.0546,-4.1841,-3.8464,1.9503,2.2394,2.5905,2.7553,3.4878,D07459_R01AC04,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.263,-4.856,0,1.0,0.004261647,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D07459
4925,D07459, Antazoline hydrochloride, Other antihistamines for systemic use,R06AX05,RESPIRATORY SYSTEM,c1(ccccc1)CN(c1ccccc1)CC1=[NH]CCN1,266.361,2.6735,92.1334,39.12,23,2,2,MQIUANDMXBJFQN-UHFFFAOYSA-N,C17H20N3,c1ccc(cc1)CN(c1ccccc1)CC1=[NH]CCN1,"InChI=1S/C17H20N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2",-5.2449,-5.2091,-5.1248,-5.0329,-4.1788,-3.8861,1.9268,2.2419,2.7493,2.9361,2.9462,D07459_R06AX05,000200040000840000800600108100088000008000000040000000c08000020002004002020001a00080002800003040000040000000000800000002200804000000100040040000082000000228000000c0004014002210430a0110000000000010020200000010400000000000000000060104204122000000000002400000,0000000000b021,000040010100000000008000000000000000000000000000000000000000000000000600402800,0000000020042000007036868840e08355234d2d17,0,12,29,1,0,5,40,42,-12.263,-4.856,0,1.0,0.004261647,+,0.6183,-,0.6183,https://www.genome.jp/dbget-bin/www_bget?dr:D07459
4926,D07374, Spaglumic acid (INN)," Antiallergic agents, excl. corticosteroids",R01AC05,RESPIRATORY SYSTEM,C(C(=O)O)C[C@H](NC(=O)C[C@H](NC(=O)C)C(=O)O)C(=O)O,304.253,-0.8182,66.3098,170.1,23,5,10,GUCKKCMJTSNWCU-BQBZGAKWSA-N,C11H16N2O8,O=C(CC(C(=O)O)NC(=O)C)NC(C(=O)O)CCC(=O)O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1",-4.5597,-4.5597,-4.5579,-4.4668,-4.4353,-4.4095,2.4135,2.4621,2.5719,2.6169,2.6431,D07374_R01AC05,002a8000004000201100040002000000000000100000000000000000001000001800000000000003000e0c1000000000010200001000400001000000000000100800080000000880000000022280000e0030004000002000a0010200000000000000002000000000000000008000180000040000000010000054000100000700,0400000c00a002,0300000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000080004e816830848c2c46fe09,0,0,31,5,0,11,37,36,0.779,8.161,2,1.0,,-,2.4308,-,2.4308,https://www.genome.jp/dbget-bin/www_bget?dr:D07374
4927,D07374, Spaglumic acid (INN), Other antiallergics,S01GX03,SENSORY ORGANS,C(C(=O)O)C[C@H](NC(=O)C[C@H](NC(=O)C)C(=O)O)C(=O)O,304.253,-0.8182,66.3098,170.1,23,5,10,GUCKKCMJTSNWCU-BQBZGAKWSA-N,C11H16N2O8,O=C(CC(C(=O)O)NC(=O)C)NC(C(=O)O)CCC(=O)O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1",-4.5774,-4.5752,-4.5538,-4.4291,-4.4239,-4.4093,2.4027,2.4076,2.4674,2.572,2.6329,D07374_S01GX03,002a8000004000201100040002000000000000100000000000000000001000001800000000000003000e0c1000000000010200001000400001000000000000100800080000000880000000022280000e0030004000002000a0010200000000000000002000000000000000008000180000040000000010000054000100000700,0400000c00a002,0300000000000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000080004e816830848c2c46fe09,0,0,31,5,0,11,37,36,0.779,8.161,2,1.0,,-,2.4308,-,2.4308,https://www.genome.jp/dbget-bin/www_bget?dr:D07374
4928,D05129, Nedocromil (USAN/INN)," Antiallergic agents, excl. corticosteroids",R01AC07,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8947,-4.882,-4.7605,-4.7281,-3.1537,-3.1522,1.2864,1.9759,2.3508,2.3566,2.6068,D05129_R01AC07,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4760000000000004,4.447,0,1.0,2.97722e-08,+,2.0754,-,2.0754,https://www.genome.jp/dbget-bin/www_bget?dr:D05129
4929,D05129, Nedocromil (USAN/INN)," Antiallergic agents, excl. corticosteroids",R03BC03,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8843,-4.8762,-4.7743,-4.7577,-3.1533,-3.1527,1.2734,1.9623,2.3534,2.358,2.6012,D05129_R03BC03,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4760000000000004,4.447,0,1.0,2.97722e-08,+,2.0754,-,2.0754,https://www.genome.jp/dbget-bin/www_bget?dr:D05129
4930,D05129, Nedocromil (USAN/INN), Other antiallergics,S01GX04,SENSORY ORGANS,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8964,-4.8825,-4.7588,-4.7572,-3.1533,-3.1504,1.4526,1.6018,2.3559,2.3917,2.5926,D05129_S01GX04,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4760000000000004,4.447,0,1.0,2.97722e-08,+,2.0754,-,2.0754,https://www.genome.jp/dbget-bin/www_bget?dr:D05129
4931,D00527, Nedocromil sodium (USAN)," Antiallergic agents, excl. corticosteroids",R01AC07,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8823,-4.8808,-4.7821,-4.7507,-3.1537,-3.1501,1.2743,1.9423,2.3599,2.3631,2.5986,D00527_R01AC07,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D00527
4932,D00527, Nedocromil sodium (USAN)," Antiallergic agents, excl. corticosteroids",R03BC03,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8934,-4.8826,-4.7754,-4.752,-3.1527,-3.1503,1.2851,1.9529,2.354,2.3631,2.6004,D00527_R03BC03,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D00527
4933,D00527, Nedocromil sodium (USAN), Other antiallergics,S01GX04,SENSORY ORGANS,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.9124,-4.8909,-4.7505,-4.7091,-3.1516,-3.1485,1.2772,1.9047,2.3587,2.3614,2.6078,D00527_S01GX04,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D00527
4934,D05130, Nedocromil calcium (USAN)," Antiallergic agents, excl. corticosteroids",R01AC07,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.8848,-4.8776,-4.7582,-4.7515,-3.1524,-3.1523,1.2822,1.9457,2.3559,2.3638,2.5882,D05130_R01AC07,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,0.0,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D05130
4935,D05130, Nedocromil calcium (USAN)," Antiallergic agents, excl. corticosteroids",R03BC03,RESPIRATORY SYSTEM,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.9065,-4.874,-4.7793,-4.7466,-3.1573,-3.1489999999999996,1.4519,1.618,2.3572,2.3938,2.5966,D05130_R03BC03,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,0.0,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D05130
4936,D05130, Nedocromil calcium (USAN), Other antiallergics,S01GX04,SENSORY ORGANS,c12c(c3c(cc1c(=O)cc(n2CC)C(=O)O)c(=O)cc(o3)C(=O)O)CCC,371.341,2.4767,98.8176,126.81,21,2,8,RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",-4.9028,-4.8887,-4.7507,-4.725,-3.1521,-3.1509,1.2752,1.955,2.3583,2.3585,2.609,D05130_S01GX04,00040040000004c00700860b852200200000941a7400002c814000e0000004281c02588002608020388a02180001004401000000000420020040808220c004000c020c1ae000020088087000008c004000a0014015001808d00888c0004b4002000600400060000060c540802156040418068110014118000018200002000000,0400000c00b003,03000000000000000000880000000000400300000000a900000000000000000000004640403800,0000000000000001810410451b01a7c784cdbfff1f,0,16,26,4,0,5,44,46,-3.4819999999999998,4.444,0,0.0,2.9787499999999998e-08,-,2.0559,-,2.0559,https://www.genome.jp/dbget-bin/www_bget?dr:D05130
4937,D08293, Olopatadine (INN)," Antiallergic agents, excl. corticosteroids",R01AC08,RESPIRATORY SYSTEM,O1c2c(/C(=C/CC[NH+](C)C)/c3c(C1)cccc3)cc(cc2)CC(=O)O,338.42,2.1724,100.484,50.97,26,2,3,JBIMVDZLSHOPLA-QGMBQPNBSA-O,C21H24NO3+,OC(=O)Cc1ccc2c(c1)C(=CCC[NH+](C)C)c1ccccc1CO2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/p+1/b18-8+",-6.0333,-4.6184,-4.6094,-4.5696,-4.5387,-4.4031,1.4711,1.5759,1.5855,1.587,2.3659,D08293_R01AC08,0006000000200046030c2680814340020440804009205200002200e0004000011010d00208c02001200a0018000010000000020004000010408000020004000808200802030004410000210002808001009a00400000240840081800040100000006020580040c82004400804110200200060100080310200800000800000804,0500000c50f003,120042020400000000008800000000000000000000000000000000000000000000004640c02a00,0000040000000301000a32109c512d060c87dff71f,0,12,37,2,0,5,49,51,-6.127000000000001,-2.3890000000000002,0,1.0,0.0036566159999999997,+,1.0767,-,1.0767,https://www.genome.jp/dbget-bin/www_bget?dr:D08293
4938,D08293, Olopatadine (INN), Other antiallergics,S01GX09,SENSORY ORGANS,O1c2c(/C(=C/CC[NH+](C)C)/c3c(C1)cccc3)cc(cc2)CC(=O)O,338.42,2.1724,100.484,50.97,26,2,3,JBIMVDZLSHOPLA-QGMBQPNBSA-O,C21H24NO3+,OC(=O)Cc1ccc2c(c1)C(=CCC[NH+](C)C)c1ccccc1CO2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/p+1/b18-8+",-6.0418,-4.6173,-4.6099,-4.5735,-4.5549,-4.4304,1.4694,1.5718,1.5853,1.5934,2.3742,D08293_S01GX09,0006000000200046030c2680814340020440804009205200002200e0004000011010d00208c02001200a0018000010000000020004000010408000020004000808200802030004410000210002808001009a00400000240840081800040100000006020580040c82004400804110200200060100080310200800000800000804,0500000c50f003,120042020400000000008800000000000000000000000000000000000000000000004640c02a00,0000040000000301000a32109c512d060c87dff71f,0,12,37,2,0,5,49,51,-6.127000000000001,-2.3890000000000002,0,1.0,0.0036566159999999997,+,1.0767,-,1.0767,https://www.genome.jp/dbget-bin/www_bget?dr:D08293
4939,D01192, Olopatadine hydrochloride (JP17/USAN)," Antiallergic agents, excl. corticosteroids",R01AC08,RESPIRATORY SYSTEM,O1c2c(/C(=C/CC[NH+](C)C)/c3c(C1)cccc3)cc(cc2)CC(=O)O,338.42,2.1724,100.484,50.97,26,2,3,JBIMVDZLSHOPLA-QGMBQPNBSA-O,C21H24NO3+,OC(=O)Cc1ccc2c(c1)C(=CCC[NH+](C)C)c1ccccc1CO2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/p+1/b18-8+",-6.0429,-4.6185,-4.5985,-4.5689,-4.5596,-4.3835,1.4733,1.5674,1.5815,1.5957,2.3626,D01192_R01AC08,0006000000200046030c2680814340020440804009205200002200e0004000011010d00208c02001200a0018000010000000020004000010408000020004000808200802030004410000210002808001009a00400000240840081800040100000006020580040c82004400804110200200060100080310200800000800000804,0500000c50f003,120042020400000000008800000000000000000000000000000000000000000000004640c02a00,0000040000000301000a32109c512d060c87dff71f,0,12,37,2,0,5,49,51,-6.127000000000001,-2.3890000000000002,0,,0.003653538,+,1.0767,-,1.0767,https://www.genome.jp/dbget-bin/www_bget?dr:D01192
4940,D01192, Olopatadine hydrochloride (JP17/USAN), Other antiallergics,S01GX09,SENSORY ORGANS,O1c2c(/C(=C/CC[NH+](C)C)/c3c(C1)cccc3)cc(cc2)CC(=O)O,338.42,2.1724,100.484,50.97,26,2,3,JBIMVDZLSHOPLA-QGMBQPNBSA-O,C21H24NO3+,OC(=O)Cc1ccc2c(c1)C(=CCC[NH+](C)C)c1ccccc1CO2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/p+1/b18-8+",-6.0351,-4.6171,-4.6097,-4.5733,-4.5417,-4.4172,1.4718,1.5765,1.5819,1.587,2.3757,D01192_S01GX09,0006000000200046030c2680814340020440804009205200002200e0004000011010d00208c02001200a0018000010000000020004000010408000020004000808200802030004410000210002808001009a00400000240840081800040100000006020580040c82004400804110200200060100080310200800000800000804,0500000c50f003,120042020400000000008800000000000000000000000000000000000000000000004640c02a00,0000040000000301000a32109c512d060c87dff71f,0,12,37,2,0,5,49,51,-6.127000000000001,-2.3890000000000002,0,,0.003653538,+,1.0767,-,1.0767,https://www.genome.jp/dbget-bin/www_bget?dr:D01192
4941,D00324, Flunisolide (JAN/USP), Corticosteroids,R01AD04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.2747,110.465,93.06,37,2,6,XSFJVAJPIHIPKU-XWCQMRHXSA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",-3.6189,-3.1555,-3.1464,-2.9752,-2.3601,-1.9306,1.2905,1.4269,1.4429,1.7229,1.768,D00324_R01AD04,000200000000a2240000000300020000200000b4204040002000000000042000140810080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000010900000010000000008102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,1,0,62,4,0,2,62,66,-10.482000000000001,-0.682,9,,0.22586298,-,3.2503,-,3.2503,https://www.genome.jp/dbget-bin/www_bget?dr:D00324
4942,D00324, Flunisolide (JAN/USP), Glucocorticoids,R03BA03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)CO)OC(O1)(C)C)C)O)F)C,434.49800000000005,2.2747,110.465,93.06,37,2,6,XSFJVAJPIHIPKU-XWCQMRHXSA-N,C24H31FO6,OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",-3.648,-3.175,-3.1441,-2.9735,-2.3523,-1.9346,1.3330000000000002,1.4071,1.4193,1.445,1.8168,D00324_R03BA03,000200000000a2240000000300020000200000b4204040002000000000042000140810080080000580020000210000000120020000a0411300000080000080000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000010900000010000000008102000100,1400043c30a001,1f3900000000814000000000000000000001000000000000000000000000000000004440437804,0000000200020201820a4685949d8cc4ad5db3d71c,1,0,62,4,0,2,62,66,-10.482000000000001,-0.682,9,,0.22586298,-,3.2503,-,3.2503,https://www.genome.jp/dbget-bin/www_bget?dr:D00324
4943,D04214, Flunisolide acetate (USAN), Corticosteroids,R01AD04,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)COC(=O)C)C)O)F)C,476.534,2.8455,120.20200000000001,99.13,40,1,7,WEGNFRKBIKYVLC-XTLNBZDDSA-N,C26H33FO7,CC(=O)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1",-4.3978,-3.6272,-3.1652,-3.1258,-3.0176,-2.9774,1.3121,1.3824,1.4077,1.4349,1.5439,D04214_R01AD04,000200020000a2240a00000300020000200000b42040400020000000000420001408100800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000030900000110000000008102000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949d8ce4a95db3d71c,1,0,66,5,0,4,67,71,-10.450999999999999,-0.58,9,,0.316990495,-,3.9383,-,3.9383,https://www.genome.jp/dbget-bin/www_bget?dr:D04214
4944,D04214, Flunisolide acetate (USAN), Glucocorticoids,R03BA03,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)COC(=O)C)C)O)F)C,476.534,2.8455,120.20200000000001,99.13,40,1,7,WEGNFRKBIKYVLC-XTLNBZDDSA-N,C26H33FO7,CC(=O)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)C=CC21C)F)(C)C,"InChI=1S/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1",-4.4510000000000005,-3.6285,-3.1037,-3.0785,-3.0003,-2.9773,1.3597,1.3714,1.4026,1.4424,1.5417,D04214_R03BA03,000200020000a2240a00000300020000200000b42040400020000000000420001408100800800005800a0010210000000120020000a0411300000080000082000810280800040000000080022880021400d000400100000020001001000020010204000a800800000400200040143c0000030900000110000000008102000100,1400042c30a005,1f2900000000814000009000000000000001000000000000000000000000000000004440437805,0000000200020201820a4485949d8ce4a95db3d71c,1,0,66,5,0,4,67,71,-10.450999999999999,-0.58,9,,0.316990495,-,3.9383,-,3.9383,https://www.genome.jp/dbget-bin/www_bget?dr:D04214
4945,D01703, Ciclesonide (JAN/USAN/INN), Corticosteroids,R01AD13,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)C(C)C)O[C@@H](O1)C1CCCCC1)C)O)C,540.688,4.7039,146.841,99.13,51,1,7,LUKZNWIVRBCLON-GXOBDPJESA-N,C32H44O7,O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1",-4.3871,-3.6278,-3.1789,-3.1415,-3.0006,-2.9766,1.3691,1.3843,1.4173,1.4384,1.5395,D01703_R01AD13,000000020000a2240a00000100020000200000a40040400000000000000420001408000800800005800a0010210000000120020000a0411300000080000082000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000030900000100000000008142000100,1400002c30a005,1f2800000000814000009000000000000001000000000000000000000000000000004440437805,0000000200000221820a04859499ace4895db7d71c,0,0,83,5,0,6,83,88,-10.415,-0.6759999999999999,9,,0.799437582,+,4.3018,-,4.3018,https://www.genome.jp/dbget-bin/www_bget?dr:D01703
4946,D01703, Ciclesonide (JAN/USAN/INN), Glucocorticoids,R03BA08,RESPIRATORY SYSTEM,C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@H]1C[C@@H]1[C@@]2(C(=O)COC(=O)C(C)C)O[C@@H](O1)C1CCCCC1)C)O)C,540.688,4.7039,146.841,99.13,51,1,7,LUKZNWIVRBCLON-GXOBDPJESA-N,C32H44O7,O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1",-4.4624,-3.6289999999999996,-3.1121,-3.0548,-3.0098,-2.9814,1.3874,1.3988,1.4076,1.4361,1.5521,D01703_R03BA08,000000020000a2240a00000100020000200000a40040400000000000000420001408000800800005800a0010210000000120020000a0411300000080000082000890280800040000000080022880021400d000400000000020001001000020010204000a800800000400200040003c0000030900000100000000008142000100,1400002c30a005,1f2800000000814000009000000000000001000000000000000000000000000000004440437805,0000000200000221820a04859499ace4895db7d71c,0,0,83,5,0,6,83,88,-10.415,-0.6759999999999999,9,,0.799437582,+,4.3018,-,4.3018,https://www.genome.jp/dbget-bin/www_bget?dr:D01703
4947,D02212, Ipratropium bromide (USAN), Other nasal preparations,R01AX03,RESPIRATORY SYSTEM,C1C[C@H]2[N@@+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C(C)C,332.457,2.8129,99.9858,46.53,33,1,3,OEXHQOGQTVQTAT-WVXKDWSHSA-N,C20H30NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C,"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19-,21-/m1/s1",-4.7918,-4.6934,-4.6861,-4.5612,-4.3991,-2.978,1.4307,1.5007,1.5504,1.5545,1.5803,D02212_R01AX03,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,071840040400000000009000000000000000000000000000000000000000000000008600c02a05,00000420000001000006169103d928e709559fff1f,0,6,49,1,0,6,54,56,-12.009,-3.826,3,1.0,0.01684414,-,0.8603,-,0.8603,https://www.genome.jp/dbget-bin/www_bget?dr:D02212
4948,D02212, Ipratropium bromide (USAN), Anticholinergics,R03BB01,RESPIRATORY SYSTEM,C1C[C@H]2[N@@+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)CO)(C)C(C)C,332.457,2.8129,99.9858,46.53,33,1,3,OEXHQOGQTVQTAT-WVXKDWSHSA-N,C20H30NO3+,OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C,"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19-,21-/m1/s1",-4.785,-4.7075,-4.7023,-4.5797,-4.3886,-2.9767,1.4295,1.4981,1.5314,1.5523,1.5664,D02212_R03BB01,00260000002002000600060000020000001000100000000000000080010400001000500080000001100a001820000100010200000020c005000000020000a208081008000000044000008800028000110090015000002008c0080801000000004000002000000000100000004000080000070100000110000000000140000000,0500001c30f005,071840040400000000009000000000000000000000000000000000000000000000008600c02a05,00000420000001000006169103d928e709559fff1f,0,6,49,1,0,6,54,56,-12.009,-3.826,3,1.0,0.01684414,-,0.8603,-,0.8603,https://www.genome.jp/dbget-bin/www_bget?dr:D02212
4949,D07375, Ritiometan (INN), Other nasal preparations,R01AX05,RESPIRATORY SYSTEM,OC(=O)CSC(SCC(=O)O)SCC(=O)O,286.346,0.7234,63.8514,187.8,16,3,9,ZBNBQISDCFIEQC-UHFFFAOYSA-N,C7H10O6S3,OC(=O)CSC(SCC(=O)O)SCC(=O)O,"InChI=1S/C7H10O6S3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",-4.578,-4.5561,-4.5362,-4.4615,-4.4564,-4.4266,2.3721,2.3976,2.4039,2.4372,2.5631,D07375_R01AX05,00000104000000000008000000000000400000000000000000000000000000000040000000080000000a0000000000000000800000000000000000002000020408000800000000000000041000804000000000400010000000500000000000000000000000000000000000004000010000001000000000000000000000000000,0400000c00a102,000001000000000000008800000000000000000000000000000000000000000000000000402800,000000000000000000008100800200848c0e025708,0,0,22,3,0,9,26,25,0.152,8.193999999999999,0,0.0,,-,2.1326,-,2.1326,https://www.genome.jp/dbget-bin/www_bget?dr:D07375
4950,D08368, Phenylpropanolamine (INN), Sympathomimetics,R01BA01,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@H]([NH3+])C)O,152.214,0.3504,46.1489,47.87,15,2,1,DLNKOYKMWOXYQA-APPZFPTMSA-O,C9H14NO+,OC(C([NH3+])C)c1ccccc1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1/t7-,9+/m1/s1",-5.3916,-5.3734,-5.3525,-4.1118,-2.8835,-2.105,1.5759999999999998,1.7348,1.7451,1.7688,1.9719,D08368_R01BA01,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000100000000000000000000020000000008000800000000000000000000000000008000400000100840080800000900000000000000000000004000000000000000060100000100000000000000000000,0100002c00f001,0128c0000400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000040000000000404c0b81f,0,6,19,0,0,2,25,25,-13.167,-3.998,2,0.0,2.29014e-06,+,0.1545,-,0.1545,https://www.genome.jp/dbget-bin/www_bget?dr:D08368
4951,D01224, Phenylpropanolamine hydrochloride (JAN/, Sympathomimetics,R01BA01,RESPIRATORY SYSTEM,c1cccc(c1)[C@H]([C@H]([NH3+])C)O,152.214,0.3504,46.1489,47.87,15,2,1,DLNKOYKMWOXYQA-APPZFPTMSA-O,C9H14NO+,OC(C([NH3+])C)c1ccccc1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/p+1/t7-,9+/m1/s1",-5.3912,-5.3758,-5.3482,-4.1093,-2.8917,-2.101,1.5788,1.7368,1.7475,1.7613,1.9717,D01224_R01BA01,0004000000000040020006000000000400000000000000000000008000000000100040810000000320000018000100000100000000000000000000020000000008000800000000000000000000000000008000400000100840080800000900000000000000000000004000000000000000060100000100000000000000000000,0100002c00f001,0128c0000400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000040000000000404c0b81f,0,6,19,0,0,2,25,25,-13.165,-4.0,2,,2.2886400000000002e-06,+,0.1545,-,0.1545,https://www.genome.jp/dbget-bin/www_bget?dr:D01224
4952,D08449, Pseudoephedrine (INN), Sympathomimetics,R01BA02,RESPIRATORY SYSTEM,c1cccc(c1)[C@@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WCBMZHEXSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10+/m0/s1",-5.7043,-5.6799,-4.4229,-4.3168,-2.8922,-2.2024,1.5706,1.5727,1.5879,1.7825,1.9628,D08449_R01BA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.099,-3.9610000000000003,2,0.0,2.21105e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D08449
4953,D00485, Pseudoephedrine hydrochloride (USP), Sympathomimetics,R01BA02,RESPIRATORY SYSTEM,c1cccc(c1)[C@@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WCBMZHEXSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10+/m0/s1",-5.7051,-5.683,-4.4302,-4.3149,-2.8921,-2.2095,1.5705,1.5754,1.5976,1.7843,1.9623,D00485_R01BA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.099,-3.9589999999999996,2,,2.21228e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D00485
4954,D05649, Pseudoephedrine sulfate (USP), Sympathomimetics,R01BA02,RESPIRATORY SYSTEM,c1(ccccc1)[C@@H]([C@@H]([NH2+]C)C)O,166.24,0.3017,51.0502,36.84,17,2,1,KWGRBVOPPLSCSI-WCBMZHEXSA-O,C10H16NO+,OC(C([NH2+]C)C)c1ccccc1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10+/m0/s1",-5.6997,-5.6852,-4.4228,-4.3157,-2.8956,-2.1978,1.5681,1.5709,1.5893,1.7827,1.9636,D05649_R01BA02,0006000000000040020006000000000400000000000000000000008000000000100040810000000320002018000100000100000000000000000000020000000008000800000000000000000000000000008000400000300840080800000900000000000000000000004000008000000000060100000110000000000000000000,0100002c00f001,012840010400000000000000000000000000000000000000000000000000000000000200c02204,000000000000210000000850000000000404d0b81f,0,6,22,0,0,3,28,28,-13.099,-3.963,2,-2.0,2.27363e-05,-,0.1889,-,0.1889,https://www.genome.jp/dbget-bin/www_bget?dr:D05649
4955,D07376, Ambazone (INN), Antiseptics,R02AA01,RESPIRATORY SYSTEM,C1=C/C(=N/NC(=S)N)/C=C/C/1=N/NC(=[NH2])N,238.293,1.6369999999999998,68.2406,158.93,20,5,7,OHTFGNSAHHJGRH-UWRPRBHNSA-N,C8H12N7S,NC(=[NH2])NN=C1C=CC(=NNC(=S)N)C=C1,"InChI=1S/C8H12N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,14H,9-10H2,(H3,11,15,16)/b12-5-,13-6+",-12.5046,-12.4925,-8.219,-6.2127,-6.1944,-6.1914,3.7926,3.8098,3.8552,3.8593,3.8703,D07376_R02AA01,080001000008100400000c007000000000000000000340400000020000000000100800000080004000000000010008020002000000040000008000080000000000000000000000000000000000000000010004400000000003001000000000100244005300000000000000000020000000180000000000010000000008000005,0000000000a001,1000c0000000000000000000000000000040000001000000000000000000000000000040437800,000000010044080010718920040240081620402815,0,0,22,6,0,4,28,28,-10.673,-5.226,0,0.0,0.000123886,+,1.3119999999999998,-,1.3119999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D07376
4956,D04441, Hexylresorcinol (USP), Antiseptics,R02AA12,RESPIRATORY SYSTEM,c1c(cc(c(c1)CCCCCC)O)O,194.27,3.2206,59.489,40.46,20,2,2,WFJIVOKAWHGMBH-UHFFFAOYSA-N,C12H18O2,CCCCCCc1ccc(cc1O)O,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",-0.746,-0.6264,-0.4636,-0.4621,-0.45,-0.4364,0.4605,0.4774,0.4838,0.4889,0.5301,D04441_R02AA12,0004000000000200024002000200000000000000000012000000008000000000100040000000000000000008000100000108020000200000000000020000000008200000000000000000200002000000408000400000100840080800000800000002000000000002000000000000000000020100020100200800000101000000,0000000402b001,030000000000000000000000000000000000000000010000000000000000000000000200402000,00000000000010000000000700082fc005c4a4d41e,0,6,26,0,0,5,32,32,-9.105,0.61,0,,0.104553141,-,0.5589999999999999,-,0.5589999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D04441
4957,D08289, Octenidine (INN), Antiseptics,R02AA21,RESPIRATORY SYSTEM,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,550.904,9.633,177.882,34.58,64,0,4,ZVXNYZWXUADSRV-UHFFFAOYSA-N,C36H62N4,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,"InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3",-3.1854,-3.1211,-1.9659,-1.8186,-1.5645,-1.4702,0.5889,0.6678,0.973,1.2482,1.3121,D08289_R02AA21,00000000000002001000060100000c08000100000000004800000000000000001000000201018021108000380000004001000000002020000000100000080010040004000000080000000001000800000000034004000000c0010000000020000000000000000000000000000000040000060000005000040004000102000000,00000000003001,030000000000000000000000000000000000000000808800000000000000000000000640402000,000000000000000001a410000a48ee8351231dad17,0,12,89,2,0,25,102,103,-7.919,0.276,0,1.0,0.999672771,+,7.3870000000000005,-,7.3870000000000005,https://www.genome.jp/dbget-bin/www_bget?dr:D08289
4958,D05222, Octenidine hydrochloride (USAN), Antiseptics,R02AA21,RESPIRATORY SYSTEM,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,550.904,9.633,177.882,34.58,64,0,4,ZVXNYZWXUADSRV-UHFFFAOYSA-N,C36H62N4,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,"InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3",-3.2723,-3.2383,-2.0857,-2.0426,-1.7208,-1.6834,0.6055,0.6166,0.6221,0.7341,1.3889,D05222_R02AA21,00000000000002001000060100000c08000100000000004800000000000000001000000201018021108000380000004001000000002020000000100000080010040004000000080000000001000800000000034004000000c0010000000020000000000000000000000000000000040000060000005000040004000102000000,00000000003001,030000000000000000000000000000000000000000808800000000000000000000000640402000,000000000000000001a410000a48ee8351231dad17,0,12,89,2,0,25,102,103,-7.898,0.265,0,1.0,0.99967742,+,7.3870000000000005,-,7.3870000000000005,https://www.genome.jp/dbget-bin/www_bget?dr:D05222
4959,D05223, Octenidine saccharin (USAN), Antiseptics,R02AA21,RESPIRATORY SYSTEM,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,550.904,9.633,177.882,34.58,64,0,4,ZVXNYZWXUADSRV-UHFFFAOYSA-N,C36H62N4,CCCCCCCCN=c1ccn(cc1)CCCCCCCCCCn1ccc(=NCCCCCCCC)cc1,"InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3",-3.2910000000000004,-3.2727,-2.0422,-2.0176,-1.6903,-1.6141,0.6023,0.6047,0.6265,0.6344,1.3802,D05223_R02AA21,00000000000002001000060100000c08000100000000004800000000000000001000000201018021108000380000004001000000002020000000100000080010040004000000080000000001000800000000034004000000c0010000000020000000000000000000000000000000040000060000005000040004000102000000,00000000003001,030000000000000000000000000000000000000000808800000000000000000000000640402000,000000000000000001a410000a48ee8351231dad17,0,12,89,2,0,25,102,103,-7.905,0.27,0,1.0,0.999677598,+,7.3870000000000005,-,7.3870000000000005,https://www.genome.jp/dbget-bin/www_bget?dr:D05223
4960,D02230, Gramicidin S hydrochloride (JAN), Antibiotics,R02AB30,RESPIRATORY SYSTEM,[C@@H]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)C(C)C)CCC[NH3+])CC(C)C)Cc1ccccc1)C(C)C)CCC[NH3+])CC(C)C)Cc1ccccc1,1143.46,2.3004,352.76800000000003,328.7,114,10,20,IUAYMJGZBVDSGL-GXUQQTCYSA-P,C60H94N12O10++,[NH3+]CCCC1NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC1=O)CC(C)C)Cc1ccccc1)CCC2)C(C)C)CCC[NH3+])C(C)C,"InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/p+2/t41-,42-,43+,44+,45-,46-,47+,48+,49+,50+/m1/s1",-5.3775,-5.3765,-5.3756,-5.3668,-5.3618,-5.3615,2.6204,2.6324,2.6343,2.6535,2.7068,D02230_R02AB30,00260000004000200b0006000000000c0000001000000000000000800008000018005083030000002006243800010000010200000800000000000002000000000000040000000080012000001280000600b0034000003008c0080800800820000c00002000000000100000000000000000060104000110000032000100000100,0500000000f001,0700c0000400000000008000200000400000000000000000000000000000000000004600c02a04,0000000000002100004216ce8861b4c3857b7fef1f,0,12,158,10,0,16,176,180,-12.501,-5.401,10,1.0,0.183092043,-,4066.6841,-,4066.6841,https://www.genome.jp/dbget-bin/www_bget?dr:D02230
4961,D08300, Orciprenaline (INN), Non-selective beta-adrenoreceptor agonists,R03AB03,RESPIRATORY SYSTEM,c1(cc(cc(c1)O)O)[C@@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,LMOINURANNBYCM-LLVKDONJSA-O,C11H18NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m1/s1",-5.6941,-5.6814,-4.3823,-4.3389999999999995,-2.8956,-2.2083,1.5719,1.5730000000000002,1.5819999999999999,1.7838,1.9811,D08300_R03AB03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000020a41880009400c44d2fd1f,0,6,27,0,0,4,33,33,-12.27,-4.019,1,1.0,1.3541700000000001e-05,-,0.1621,-,0.1621,https://www.genome.jp/dbget-bin/www_bget?dr:D08300
4962,D08300, Orciprenaline (INN), Non-selective beta-adrenoreceptor agonists,R03CB03,RESPIRATORY SYSTEM,c1(cc(cc(c1)O)O)[C@@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,LMOINURANNBYCM-LLVKDONJSA-O,C11H18NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m1/s1",-5.6992,-5.6794,-4.3748,-4.3329,-2.8978,-2.1975,1.5702,1.5723,1.5803,1.7809,1.9832,D08300_R03CB03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000020a41880009400c44d2fd1f,0,6,27,0,0,4,33,33,-12.27,-4.019,1,1.0,1.3541700000000001e-05,-,0.1621,-,0.1621,https://www.genome.jp/dbget-bin/www_bget?dr:D08300
4963,D00685, Metaproterenol sulfate (USP), Non-selective beta-adrenoreceptor agonists,R03AB03,RESPIRATORY SYSTEM,c1(cc(cc(c1)O)O)[C@@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,LMOINURANNBYCM-LLVKDONJSA-O,C11H18NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m1/s1",-5.7027,-5.6771,-4.3883,-4.3355,-2.9009,-2.2048,1.561,1.5747,1.5887,1.7830000000000001,1.9846,D00685_R03AB03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000020a41880009400c44d2fd1f,0,6,27,0,0,4,33,33,-12.270999999999999,-4.019,1,,1.3544000000000001e-05,-,0.1621,-,0.1621,https://www.genome.jp/dbget-bin/www_bget?dr:D00685
4964,D00685, Metaproterenol sulfate (USP), Non-selective beta-adrenoreceptor agonists,R03CB03,RESPIRATORY SYSTEM,c1(cc(cc(c1)O)O)[C@@H](C[NH2+]C(C)C)O,212.266,0.10300000000000001,59.9032,77.3,21,4,3,LMOINURANNBYCM-LLVKDONJSA-O,C11H18NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)C,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/p+1/t11-/m1/s1",-5.6955,-5.6801,-4.3747,-4.3331,-2.8968,-2.1913,1.5682,1.5706,1.58,1.7827,1.9804,D00685_R03CB03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000020a41880009400c44d2fd1f,0,6,27,0,0,4,33,33,-12.270999999999999,-4.019,1,,1.3544000000000001e-05,-,0.1621,-,0.1621,https://www.genome.jp/dbget-bin/www_bget?dr:D00685
4965,D02147, Albuterol (USP), Selective beta-2-adrenoreceptor agonists,R03AC02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,240.31900000000002,0.2798,68.85300000000001,77.3,25,4,3,NDAUXUAQIAJITI-GFCCVEGCSA-O,C13H22NO3+,OCc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1",-5.7005,-5.6751,-4.3625,-4.3275,-2.9133,-2.897,1.5759,1.5876,1.7833,1.9883,2.0149,D02147_R03AC02,000600000000004002000600000000040000000000005200000000800000000010004081000000022000201800000000000202400000000000000002000000100820080000000000000000000200000000800040000020a840080800800100000008000000000002004000008110000000060100000110200800000000000000,0100003c02f001,013840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a43889009400cd6f2fd1f,0,6,33,0,0,5,39,39,-12.325999999999999,-3.846,1,,0.000160022,-,0.3424,-,0.3424,https://www.genome.jp/dbget-bin/www_bget?dr:D02147
4966,D02147, Albuterol (USP), Selective beta-2-adrenoreceptor agonists,R03CC02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,240.31900000000002,0.2798,68.85300000000001,77.3,25,4,3,NDAUXUAQIAJITI-GFCCVEGCSA-O,C13H22NO3+,OCc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1",-5.7003,-5.6778,-4.3333,-4.3188,-2.9076,-2.8928,1.5756,1.5896,1.7857,1.9757,2.0618,D02147_R03CC02,000600000000004002000600000000040000000000005200000000800000000010004081000000022000201800000000000202400000000000000002000000100820080000000000000000000200000000800040000020a840080800800100000008000000000002004000008110000000060100000110200800000000000000,0100003c02f001,013840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a43889009400cd6f2fd1f,0,6,33,0,0,5,39,39,-12.325999999999999,-3.846,1,,0.000160022,-,0.3424,-,0.3424,https://www.genome.jp/dbget-bin/www_bget?dr:D02147
4967,D00683, Albuterol sulfate (USP), Selective beta-2-adrenoreceptor agonists,R03AC02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,240.31900000000002,0.2798,68.85300000000001,77.3,25,4,3,NDAUXUAQIAJITI-GFCCVEGCSA-O,C13H22NO3+,OCc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1",-5.6979,-5.6796,-4.3461,-4.3358,-2.9088,-2.8982,1.5776,1.5871,1.7856,1.9848,1.9993,D00683_R03AC02,000600000000004002000600000000040000000000005200000000800000000010004081000000022000201800000000000202400000000000000002000000100820080000000000000000000200000000800040000020a840080800800100000008000000000002004000008110000000060100000110200800000000000000,0100003c02f001,013840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a43889009400cd6f2fd1f,0,6,33,0,0,5,39,39,-12.325999999999999,-3.845,1,,0.00015991899999999998,-,0.3424,-,0.3424,https://www.genome.jp/dbget-bin/www_bget?dr:D00683
4968,D00683, Albuterol sulfate (USP), Selective beta-2-adrenoreceptor agonists,R03CC02,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,240.31900000000002,0.2798,68.85300000000001,77.3,25,4,3,NDAUXUAQIAJITI-GFCCVEGCSA-O,C13H22NO3+,OCc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1",-5.7005,-5.6771,-4.3562,-4.3384,-2.91,-2.8960000000000004,1.5786,1.5904,1.7844,1.9814,2.062,D00683_R03CC02,000600000000004002000600000000040000000000005200000000800000000010004081000000022000201800000000000202400000000000000002000000100820080000000000000000000200000000800040000020a840080800800100000008000000000002004000008110000000060100000110200800000000000000,0100003c02f001,013840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a43889009400cd6f2fd1f,0,6,33,0,0,5,39,39,-12.325999999999999,-3.845,1,,0.00015991899999999998,-,0.3424,-,0.3424,https://www.genome.jp/dbget-bin/www_bget?dr:D00683
4969,D08570, Terbutaline (INN), Selective beta-2-adrenoreceptor agonists,R03AC03,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)cc(cc(c1)O)O,226.292,0.4931,64.7482,77.3,23,4,3,XWTYSIMOBUGWOL-LLVKDONJSA-O,C12H20NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)(C)C,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/p+1/t11-/m1/s1",-5.705,-5.681,-4.342,-4.3291,-2.8977,-2.1948,1.571,1.5749,1.59,1.7813,1.9761,D08570_R03AC03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a41888009400c54d2fd1f,0,6,30,0,0,4,36,36,-12.225,-3.923,1,1.0,3.72108e-05,-,0.324,-,0.324,https://www.genome.jp/dbget-bin/www_bget?dr:D08570
4970,D08570, Terbutaline (INN), Selective beta-2-adrenoreceptor agonists,R03CC03,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)cc(cc(c1)O)O,226.292,0.4931,64.7482,77.3,23,4,3,XWTYSIMOBUGWOL-LLVKDONJSA-O,C12H20NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)(C)C,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/p+1/t11-/m1/s1",-5.6979999999999995,-5.675,-4.3528,-4.3306,-2.9001,-2.2048,1.568,1.5699,1.5905,1.7873,1.9828,D08570_R03CC03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a41888009400c54d2fd1f,0,6,30,0,0,4,36,36,-12.225,-3.923,1,1.0,3.72108e-05,-,0.324,-,0.324,https://www.genome.jp/dbget-bin/www_bget?dr:D08570
4971,D00688, Terbutaline sulfate (JP17/USP), Selective beta-2-adrenoreceptor agonists,R03AC03,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)cc(cc(c1)O)O,226.292,0.4931,64.7482,77.3,23,4,3,XWTYSIMOBUGWOL-LLVKDONJSA-O,C12H20NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)(C)C,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/p+1/t11-/m1/s1",-5.7001,-5.6765,-4.3347,-4.3298,-2.8988,-2.1896,1.5656,1.5736,1.5897,1.7863,1.973,D00688_R03AC03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a41888009400c54d2fd1f,0,6,30,0,0,4,36,36,-12.222999999999999,-3.925,1,0.0,3.72049e-05,-,0.324,-,0.324,https://www.genome.jp/dbget-bin/www_bget?dr:D00688
4972,D00688, Terbutaline sulfate (JP17/USP), Selective beta-2-adrenoreceptor agonists,R03CC03,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)cc(cc(c1)O)O,226.292,0.4931,64.7482,77.3,23,4,3,XWTYSIMOBUGWOL-LLVKDONJSA-O,C12H20NO3+,OC(c1cc(O)cc(c1)O)C[NH2+]C(C)(C)C,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/p+1/t11-/m1/s1",-5.7017,-5.6757,-4.3545,-4.3407,-2.8932,-2.208,1.5765,1.5766,1.5953,1.7882,1.9744,D00688_R03CC03,000600000000004002000600000000040000000000000000000000800000000010004081000000022000201800000000000a020000000000000000020000001008000800000000000000000002000000008000400000200840080800800100000000000000000002004000808000000000060100000110200800004a01000000,0100002c02f001,012840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310002020a41888009400c54d2fd1f,0,6,30,0,0,4,36,36,-12.222999999999999,-3.925,1,0.0,3.72049e-05,-,0.324,-,0.324,https://www.genome.jp/dbget-bin/www_bget?dr:D00688
4973,D05730, Rimiterol hydrobromide (USAN), Selective beta-2-adrenoreceptor agonists,R03AC05,RESPIRATORY SYSTEM,c1(c(ccc(c1)[C@@H]([C@@H]1[NH2+]CCCC1)O)O)O,224.27599999999998,1.8163,66.2162,77.3,21,4,3,IYMMESGOJVNCKV-SKDRFNHKSA-O,C12H18NO3+,OC(c1ccc(c(c1)O)O)C1CCCC[NH2+]1,"InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/p+1/t9-,12+/m1/s1",-5.7023,-5.6811,-4.4199,-4.3367,-2.8866,-2.2091,1.5599,1.5718,1.5809,1.7772,1.9685,D05730_R03AC05,0026000000000240020006000200000400000010000052000000008000000000100040810000000330002018000100000102020000204000000000020000001008800800000008000000a000020000000080015000003008c0080800800900000000002000000002004000c08000080000060100020110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000600c02204,000000000000210080000a468a4021c105c5e7791f,0,6,29,0,0,2,34,35,-12.427999999999999,-3.917,2,1.0,5.48755e-05,-,0.5601,-,0.5601,https://www.genome.jp/dbget-bin/www_bget?dr:D05730
4974,D08039, Hexoprenaline (INN), Selective beta-2-adrenoreceptor agonists,R03AC06,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](c2cc(c(cc2)O)O)O)O)cc(c(cc1)O)O,422.515,-0.0368,117.69200000000001,154.6,40,8,6,OXLZNBCNGJWPRV-FGZHOGPDSA-P,C22H34N2O6++,OC(c1ccc(c(c1)O)O)C[NH2+]CCCCCC[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2/p+2/t21-,22-/m1/s1",-5.7109,-5.7077,-5.6822,-5.6615,-4.4035,-4.3783,1.7776,1.7959,1.9867,1.9869999999999999,3.1839,D08039_R03AC06,00260000000000400200060000000004000000100000520000000080000000001000508100000002300020180000000001020200002000000000000200000010088008000000080000000000020000000080014000002008c0080800800100000000002000000002004000808000000000060100000110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a46884021c00deee7751f,0,12,53,0,0,13,64,65,-12.821,-5.935,2,-1.0,1.03095e-06,-,1.0128,-,1.0128,https://www.genome.jp/dbget-bin/www_bget?dr:D08039
4975,D08039, Hexoprenaline (INN), Selective beta-2-adrenoreceptor agonists,R03CC05,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](c2cc(c(cc2)O)O)O)O)cc(c(cc1)O)O,422.515,-0.0368,117.69200000000001,154.6,40,8,6,OXLZNBCNGJWPRV-FGZHOGPDSA-P,C22H34N2O6++,OC(c1ccc(c(c1)O)O)C[NH2+]CCCCCC[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2/p+2/t21-,22-/m1/s1",-5.7094,-5.7036,-5.6887,-5.6631,-4.4281,-4.4085,1.7685,1.7889,1.9828,1.9858,3.1674,D08039_R03CC05,00260000000000400200060000000004000000100000520000000080000000001000508100000002300020180000000001020200002000000000000200000010088008000000080000000000020000000080014000002008c0080800800100000000002000000002004000808000000000060100000110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a46884021c00deee7751f,0,12,53,0,0,13,64,65,-12.821,-5.935,2,-1.0,1.03095e-06,-,1.0128,-,1.0128,https://www.genome.jp/dbget-bin/www_bget?dr:D08039
4976,D02396, Hexoprenaline sulfate (USAN), Selective beta-2-adrenoreceptor agonists,R03AC06,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](c2cc(c(cc2)O)O)O)O)cc(c(cc1)O)O,422.515,-0.0368,117.69200000000001,154.6,40,8,6,OXLZNBCNGJWPRV-FGZHOGPDSA-P,C22H34N2O6++,OC(c1ccc(c(c1)O)O)C[NH2+]CCCCCC[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2/p+2/t21-,22-/m1/s1",-5.7104,-5.7069,-5.6792,-5.6647,-4.3984,-4.3762,1.7784,1.7861,1.9569999999999999,1.9718,2.9382,D02396_R03AC06,00260000000000400200060000000004000000100000520000000080000000001000508100000002300020180000000001020200002000000000000200000010088008000000080000000000020000000080014000002008c0080800800100000000002000000002004000808000000000060100000110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a46884021c00deee7751f,0,12,53,0,0,13,64,65,-12.821,-5.935,2,0.0,1.03334e-06,-,1.0128,-,1.0128,https://www.genome.jp/dbget-bin/www_bget?dr:D02396
4977,D02396, Hexoprenaline sulfate (USAN), Selective beta-2-adrenoreceptor agonists,R03CC05,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](c2cc(c(cc2)O)O)O)O)cc(c(cc1)O)O,422.515,-0.0368,117.69200000000001,154.6,40,8,6,OXLZNBCNGJWPRV-FGZHOGPDSA-P,C22H34N2O6++,OC(c1ccc(c(c1)O)O)C[NH2+]CCCCCC[NH2+]CC(c1ccc(c(c1)O)O)O,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2/p+2/t21-,22-/m1/s1",-5.7157,-5.7104,-5.6706,-5.6669,-4.4094,-4.3997,1.7761,1.7796,1.9764,1.9903,3.1969,D02396_R03CC05,00260000000000400200060000000004000000100000520000000080000000001000508100000002300020180000000001020200002000000000000200000010088008000000080000000000020000000080014000002008c0080800800100000000002000000002004000808000000000060100000110200800004b00000000,0100002c06f001,022840010400000000000000000000000000000000030000000000000000000000000200c02204,000000000000210080002a46884021c00deee7751f,0,12,53,0,0,13,64,65,-12.821,-5.935,2,0.0,1.03334e-06,-,1.0128,-,1.0128,https://www.genome.jp/dbget-bin/www_bget?dr:D02396
4978,D04625, Isoetharine (USP), Selective beta-2-adrenoreceptor agonists,R03AC07,RESPIRATORY SYSTEM,c1([C@H]([C@@H]([NH2+]C(C)C)CC)O)cc(c(cc1)O)O,240.31900000000002,0.8816,69.5172,77.3,25,4,3,HUYWAWARQUIQLE-GXFFZTMASA-O,C13H22NO3+,CCC(C(c1ccc(c(c1)O)O)O)[NH2+]C(C)C,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3/p+1/t10-,13+/m0/s1",-5.7026,-5.6726,-4.3665,-4.2806,-2.8881,-2.2012,1.5613,1.5773,1.5843,1.7883,1.9496,D04625_R03AC07,0006000000000040020006000000000400000000000052000000008000000000100040810000000320002018000100000102020000004000000000020000001008800800000000000000200002000000008000400000300840080800800900000000000000000002004000c08000000000060100020110200800004b00000000,0100002c06f001,032840010400000000000000000000000000000000030000000000000000000000000200c02204,0000000000002100800208428048034004d4f2fc1f,0,6,33,0,0,5,39,39,-11.859000000000002,-3.705,2,1.0,0.000100056,-,0.6048,-,0.6048,https://www.genome.jp/dbget-bin/www_bget?dr:D04625
4979,D04625, Isoetharine (USP), Selective beta-2-adrenoreceptor agonists,R03CC06,RESPIRATORY SYSTEM,c1([C@H]([C@@H]([NH2+]C(C)C)CC)O)cc(c(cc1)O)O,240.31900000000002,0.8816,69.5172,77.3,25,4,3,HUYWAWARQUIQLE-GXFFZTMASA-O,C13H22NO3+,CCC(C(c1ccc(c(c1)O)O)O)[NH2+]C(C)C,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3/p+1/t10-,13+/m0/s1",-5.7085,-5.6737,-4.3707,-4.2816,-2.8817,-2.2073,1.5649,1.5799,1.5861,1.7833,1.9514,D04625_R03CC06,0006000000000040020006000000000400000000000052000000008000000000100040810000000320002018000100000102020000004000000000020000001008800800000000000000200002000000008000400000300840080800800900000000000000000002004000c08000000000060100020110200800004b00000000,0100002c06f001,032840010400000000000000000000000000000000030000000000000000000000000200c02204,0000000000002100800208428048034004d4f2fc1f,0,6,33,0,0,5,39,39,-11.859000000000002,-3.705,2,1.0,0.000100056,-,0.6048,-,0.6048,https://www.genome.jp/dbget-bin/www_bget?dr:D04625
4980,D08387, Pirbuterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC08,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6881,-5.6017,-4.3769,-4.3328,-2.8996,-2.8928,1.9286,1.9833,2.2344,2.4159,3.075,D08387_R03AC08,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.583,-3.9,1,0.0,7.95104e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D08387
4981,D08387, Pirbuterol (INN), Selective beta-2-adrenoreceptor agonists,R03CC07,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6937,-5.6047,-4.3617,-4.328,-2.8985,-2.8966,1.9027,1.9843,2.2308,2.3954,3.0371,D08387_R03CC07,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.583,-3.9,1,0.0,7.95104e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D08387
4982,D00686, Pirbuterol acetate (USAN), Selective beta-2-adrenoreceptor agonists,R03AC08,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6849,-5.678,-4.325,-4.3109,-2.9012,-2.8869,1.8005,1.9789,2.0116,2.2418,2.4724,D00686_R03AC08,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.584000000000001,-3.8989999999999996,1,0.0,7.94762e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D00686
4983,D00686, Pirbuterol acetate (USAN), Selective beta-2-adrenoreceptor agonists,R03CC07,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6862,-5.6441,-4.3588,-4.3219,-2.8968,-2.8912,1.7914,1.9848,2.1634,2.2531,2.9233,D00686_R03CC07,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.584000000000001,-3.8989999999999996,1,0.0,7.94762e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D00686
4984,D01349, Pirbuterol hydrochloride (JAN/USAN), Selective beta-2-adrenoreceptor agonists,R03AC08,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6806,-5.6546,-4.37,-4.3221,-2.9058,-2.8856,1.7832,1.7901,1.9855,2.0538,2.8973,D01349_R03AC08,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.583,-3.9,1,0.0,7.94615e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D01349
4985,D01349, Pirbuterol hydrochloride (JAN/USAN), Selective beta-2-adrenoreceptor agonists,R03CC07,RESPIRATORY SYSTEM,c1(nc(c(cc1)O)CO)[C@@H](C[NH2+]C(C)(C)C)O,241.30700000000002,-0.3252,66.648,90.19,25,4,4,VQDBNKDJNJQRDG-LLVKDONJSA-O,C12H21N2O3+,OCc1nc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3/p+1/t11-/m1/s1",-5.6834,-5.6494,-4.3671,-4.3227,-2.9086,-2.8901,1.7851,1.7887,1.9592,1.9836,2.9527,D01349_R03CC07,00060020800000400200060004000004001005004000520000000080003400001000408102008022208020180000004000020200000020000000800a008020100c200c020000020100000000060800000000804a048020084002080080030000000820000000800004400000a10004000006001020411060080000000a000004,0100003c02f001,013840010400000000000000000000000000000000019000000000000000000000000600c02204,000000000000310003820a438ad009410cf7f2fd1f,0,6,32,0,0,5,38,38,-12.583,-3.9,1,0.0,7.94615e-05,-,0.3716,-,0.3716,https://www.genome.jp/dbget-bin/www_bget?dr:D01349
4986,D08629, Tretoquinol (INN), Selective beta-2-adrenoreceptor agonists,R03AC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7129,-5.7013,-5.5979,-4.397,-1.4095,-1.3897,1.5578,1.5733,1.7791,1.867,2.0044,D08629_R03AC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.196,-3.7110000000000003,1,1.0,0.002262918,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D08629
4987,D08629, Tretoquinol (INN), Selective beta-2-adrenoreceptor agonists,R03CC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7051,-5.7024,-5.5928,-4.3976,-1.4152,-1.3891,1.5599,1.5757,1.7771,1.8604,2.002,D08629_R03CC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.196,-3.7110000000000003,1,1.0,0.002262918,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D08629
4988,D01978, Trimetoquinol hydrochloride, Selective beta-2-adrenoreceptor agonists,R03AC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7066,-5.7010000000000005,-5.5899,-4.4033,-1.4164,-1.3869,1.5666,1.5757,1.7765,1.8633,1.9931,D01978_R03AC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.198,-3.7119999999999997,1,1.0,0.002264244,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D01978
4989,D01978, Trimetoquinol hydrochloride, Selective beta-2-adrenoreceptor agonists,R03CC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7156,-5.7053,-5.5897,-4.3971,-1.4165,-1.3867,1.5683,1.5726,1.7783,1.8645,1.9941,D01978_R03CC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.198,-3.7119999999999997,1,1.0,0.002264244,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D01978
4990,D05037, Trimetoquinol hydrochloride hydrate (JP, Selective beta-2-adrenoreceptor agonists,R03AC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7103,-5.7038,-5.5903,-4.4002,-1.4191,-1.3832,1.5632,1.5734,1.7741,1.8695,1.9992,D05037_R03AC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.200999999999999,-3.713,1,1.0,0.002261075,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D05037
4991,D05037, Trimetoquinol hydrochloride hydrate (JP, Selective beta-2-adrenoreceptor agonists,R03CC09,RESPIRATORY SYSTEM,c1(c(cc2c(c1)[C@@H]([NH2+]CC2)Cc1cc(c(c(c1)OC)OC)OC)O)O,346.398,3.0961,99.5624,84.76,29,3,5,RGVPOXRFEPSFGH-AWEZNQCLSA-O,C19H24NO5+,COc1cc(cc(c1OC)OC)CC1[NH2+]CCc2c1cc(O)c(c2)O,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/p+1/t14-/m0/s1",-5.7114,-5.7015,-5.5914,-4.4008,-1.4258,-1.3769999999999998,1.5636,1.574,1.7728,1.8681,2.0015,D05037_R03CC09,00270000000004200a000600000300040000008000003200010000c00000000010004481004040000080301800010200010a020000000800240000020000000008800000010400010000202002480000008080400000300840080800800800000110000200000442020000c02010000000060110080110200800004609000000,0100000456f001,020042010400000000000000000000000000000000030000000000000000000000004600c02204,000000000000210080000a159a4121e105ddf7fd1f,0,12,39,0,0,5,49,51,-12.200999999999999,-3.713,1,1.0,0.002261075,+,1.0167,-,1.0167,https://www.genome.jp/dbget-bin/www_bget?dr:D05037
4992,D03402, Carbuterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03AC10,RESPIRATORY SYSTEM,c1c(c(ccc1[C@@H](O)C[NH2+]C(C)(C)C)O)NC(=O)N,268.332,1.0514,75.3273,112.19,27,5,5,KEMXXQOFIRIICG-NSHDSACASA-O,C13H22N3O3+,NC(=O)Nc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)/p+1/t11-/m0/s1",-5.8609,-5.6998,-5.671,-4.5838,-4.3514,-4.3283,1.8422,1.9217,1.9878,2.7731,2.927,D03402_R03AC10,00460000000000400300060000804204800000004000522000000080000014001000418100200022200420180000004400020280000000080000000200000410084008004000000000101008028000000080004004002808500808008001400001200000000000020040000080000004000e0100000110200800000002000000,0100002c02f041,012840010400000000000000000000000040040000010000000000000000000000000200c02a04,000000001004210002120a4088a219405cf4f2ff1f,0,6,34,1,0,6,41,41,-11.92,-3.861,1,,0.000289605,-,0.4973,-,0.4973,https://www.genome.jp/dbget-bin/www_bget?dr:D03402
4993,D03402, Carbuterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03CC10,RESPIRATORY SYSTEM,c1c(c(ccc1[C@@H](O)C[NH2+]C(C)(C)C)O)NC(=O)N,268.332,1.0514,75.3273,112.19,27,5,5,KEMXXQOFIRIICG-NSHDSACASA-O,C13H22N3O3+,NC(=O)Nc1cc(ccc1O)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)/p+1/t11-/m0/s1",-5.8405,-5.7098,-5.6656,-4.6247,-4.3478,-4.3301,1.8496,1.9261,1.9858,2.7777,2.935,D03402_R03CC10,00460000000000400300060000804204800000004000522000000080000014001000418100200022200420180000004400020280000000080000000200000410084008004000000000101008028000000080004004002808500808008001400001200000000000020040000080000004000e0100000110200800000002000000,0100002c02f041,012840010400000000000000000000000040040000010000000000000000000000000200c02a04,000000001004210002120a4088a219405cf4f2ff1f,0,6,34,1,0,6,41,41,-11.92,-3.861,1,,0.000289605,-,0.4973,-,0.4973,https://www.genome.jp/dbget-bin/www_bget?dr:D03402
4994,D02151, Tulobuterol (JP17/INN), Selective beta-2-adrenoreceptor agonists,R03AC11,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@@H](C[NH2+]C(C)(C)C)O)Cl,228.738,1.7353,65.7122,36.84,20,2,1,YREYLAVBNPACJM-LLVKDONJSA-O,C12H19ClNO+,OC(c1ccccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/p+1/t11-/m1/s1",-5.7083,-5.675,-4.3561,-4.321000000000001,-2.8904,-2.2068,1.5672,1.5739,1.5899,1.7845,1.9833,D02151_R03AC11,0006020000000040020006000000000400000000000000000002008000200000100040810000000220012018001400000002000000000000000000020000001008000800000000000000000006000002008900400000200840080800800100000000000000000000004000008000000000060100000111000000000000800000,0100002c00f001,012840010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408002c94f0bd1f,0,6,28,0,0,4,34,34,-12.885,-3.792,1,0.0,0.000535775,-,0.2601,-,0.2601,https://www.genome.jp/dbget-bin/www_bget?dr:D02151
4995,D02151, Tulobuterol (JP17/INN), Selective beta-2-adrenoreceptor agonists,R03CC11,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@@H](C[NH2+]C(C)(C)C)O)Cl,228.738,1.7353,65.7122,36.84,20,2,1,YREYLAVBNPACJM-LLVKDONJSA-O,C12H19ClNO+,OC(c1ccccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/p+1/t11-/m1/s1",-5.707000000000001,-5.6763,-4.345,-4.3272,-2.8876,-2.2003,1.5718,1.5725,1.5909,1.7854,1.9761,D02151_R03CC11,0006020000000040020006000000000400000000000000000002008000200000100040810000000220012018001400000002000000000000000000020000001008000800000000000000000006000002008900400000200840080800800100000000000000000000004000008000000000060100000111000000000000800000,0100002c00f001,012840010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408002c94f0bd1f,0,6,28,0,0,4,34,34,-12.885,-3.792,1,0.0,0.000535775,-,0.2601,-,0.2601,https://www.genome.jp/dbget-bin/www_bget?dr:D02151
4996,D01362, Tulobuterol hydrochloride (JP17), Selective beta-2-adrenoreceptor agonists,R03AC11,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@H](C[NH2+]C(C)(C)C)O)Cl,228.738,1.7353,65.7122,36.84,20,2,1,YREYLAVBNPACJM-NSHDSACASA-O,C12H19ClNO+,OC(c1ccccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/p+1/t11-/m0/s1",-5.7095,-5.6677,-4.3389,-4.3248,-2.883,-2.2032,1.561,1.5707,1.5918,1.785,1.9826,D01362_R03AC11,0006020000000040020006000000000400000000000000000002008000200000100040810000000220012018001400000002000000000000000000020000001008000800000000000000000006000002008900400000200840080800800100000000000000000000004000008000000000060100000111000000000000800000,0100002c00f001,012840010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408002c94f0bd1f,0,6,28,0,0,4,34,34,-12.88,-3.7960000000000003,1,,0.000664373,-,0.2601,-,0.2601,https://www.genome.jp/dbget-bin/www_bget?dr:D01362
4997,D01362, Tulobuterol hydrochloride (JP17), Selective beta-2-adrenoreceptor agonists,R03CC11,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@H](C[NH2+]C(C)(C)C)O)Cl,228.738,1.7353,65.7122,36.84,20,2,1,YREYLAVBNPACJM-NSHDSACASA-O,C12H19ClNO+,OC(c1ccccc1Cl)C[NH2+]C(C)(C)C,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3/p+1/t11-/m0/s1",-5.7094,-5.6675,-4.3401,-4.3281,-2.8848,-2.2043,1.561,1.57,1.5958,1.7869,1.9813,D01362_R03CC11,0006020000000040020006000000000400000000000000000002008000200000100040810000000220012018001400000002000000000000000000020000001008000800000000000000000006000002008900400000200840080800800100000000000000000000004000008000000000060100000111000000000000800000,0100002c00f001,012840010400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408002c94f0bd1f,0,6,28,0,0,4,34,34,-12.88,-3.7960000000000003,1,,0.000664373,-,0.2601,-,0.2601,https://www.genome.jp/dbget-bin/www_bget?dr:D01362
4998,D05792, Salmeterol (USAN/INN), Selective beta-2-adrenoreceptor agonists,R03AC12,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@H](C[NH2+]CCCCCCOCCCCc1ccccc1)O,416.574,3.0812,123.229,86.53,42,4,4,GIIZNNXWQWCKIB-VWLOTQADSA-O,C25H38NO4+,OCc1cc(ccc1O)C(C[NH2+]CCCCCCOCCCCc1ccccc1)O,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/p+1/t25-/m0/s1",-5.7009,-5.6853,-4.4226,-4.3488,-2.9098,-2.8976,1.5748,1.5778,1.7734,1.9875,2.0081,D05792_R03AC12,0026000000000040020006000002000400000010000052000000008000040000100050810000000330002018200100000102024000204000000000020000801008300800000008000000a0000200000000800140000030a8c0080800800900000008002000000002004000008110080000070100020110200800000140000000,0100003c32f001,02b840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000002a47885021e00dcee7751f,0,12,57,0,0,16,68,69,-10.745999999999999,-3.951,1,1.0,0.104863264,-,1.5008,-,1.5008,https://www.genome.jp/dbget-bin/www_bget?dr:D05792
4999,D00687, Salmeterol xinafoate (JAN/USAN), Selective beta-2-adrenoreceptor agonists,R03AC12,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)CO)[C@H](C[NH2+]CCCCCCOCCCCc1ccccc1)O,416.574,3.0812,123.229,86.53,42,4,4,GIIZNNXWQWCKIB-VWLOTQADSA-O,C25H38NO4+,OCc1cc(ccc1O)C(C[NH2+]CCCCCCOCCCCc1ccccc1)O,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/p+1/t25-/m0/s1",-5.7036,-5.6864,-4.3975,-4.3424,-2.9085,-2.8930000000000002,1.5691,1.5865,1.7723,1.9697,1.9776,D00687_R03AC12,0026000000000040020006000002000400000010000052000000008000040000100050810000000330002018200100000102024000204000000000020000801008300800000008000000a0000200000000800140000030a8c0080800800900000008002000000002004000008110080000070100020110200800000140000000,0100003c32f001,02b840010400000000000000000000000000000000010000000000000000000000000200c02204,000000000000310000002a47885021e00dcee7751f,0,12,57,0,0,16,68,69,-10.741,-3.952,1,,0.104883425,-,1.5008,-,1.5008,https://www.genome.jp/dbget-bin/www_bget?dr:D00687
5000,D07990, Formoterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC13,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)NC=O)[C@@H](C[NH2+][C@H](Cc1ccc(cc1)OC)C)O,345.413,1.906,98.7539,95.4,30,4,5,BPZSYCZIITTYBL-ORAYPTAESA-O,C19H25N2O4+,O=CNc1cc(ccc1O)C(C[NH2+]C(Cc1ccc(cc1)OC)C)O,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/p+1/t13-,19+/m0/s1",-5.7142,-5.6564,-4.3582,-4.3507,-3.7917,-3.2503,1.5627,1.6052,1.7943,1.9083,1.9886,D07990_R03AC13,0026000000000040030006000082420480000000400052200000008000000400100040810020002220042018000100440102028000000008000000020000041008400800410008010010100002800000008000400400380850080800800940000000000000000402004000008010000400060100080110200800000002000000,0100002c52f001,0328420104000000000080000a0000000000000000010000000000000000000000000200c02a04,000000000000210000000a5088601d605decf3ff1f,0,12,38,1,0,9,50,51,-11.86,-3.8739999999999997,2,-1.0,0.0021545329999999997,-,0.7941,+,0.7941,https://www.genome.jp/dbget-bin/www_bget?dr:D07990
5001,D01373, Formoterol fumarate (USAN), Selective beta-2-adrenoreceptor agonists,R03AC13,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)NC=O)[C@@H](C[NH2+][C@H](Cc1ccc(cc1)OC)C)O,345.413,1.906,98.7539,95.4,30,4,5,BPZSYCZIITTYBL-ORAYPTAESA-O,C19H25N2O4+,O=CNc1cc(ccc1O)C(C[NH2+]C(Cc1ccc(cc1)OC)C)O,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/p+1/t13-,19+/m0/s1",-5.7143,-5.6602,-4.378,-4.3476,-3.7924,-3.2489999999999997,1.5702,1.5948,1.7824,1.9058,1.9821,D01373_R03AC13,0026000000000040030006000082420480000000400052200000008000000400100040810020002220042018000100440102028000000008000000020000041008400800410008010010100002800000008000400400380850080800800940000000000000000402004000008010000400060100080110200800000002000000,0100002c52f001,0328420104000000000080000a0000000000000000010000000000000000000000000200c02a04,000000000000210000000a5088601d605decf3ff1f,0,12,38,1,0,9,50,51,-11.86,-3.8739999999999997,2,0.0,0.0021545329999999997,-,0.7941,+,0.7941,https://www.genome.jp/dbget-bin/www_bget?dr:D01373
5002,D05277, Formoterol fumarate hydrate (JP17), Selective beta-2-adrenoreceptor agonists,R03AC13,RESPIRATORY SYSTEM,c1(cc(c(cc1)O)NC=O)[C@@H](C[NH2+][C@H](Cc1ccc(cc1)OC)C)O,345.413,1.906,98.7539,95.4,30,4,5,BPZSYCZIITTYBL-ORAYPTAESA-O,C19H25N2O4+,O=CNc1cc(ccc1O)C(C[NH2+]C(Cc1ccc(cc1)OC)C)O,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/p+1/t13-,19+/m0/s1",-5.7141,-5.6597,-4.3833,-4.3563,-3.8743,-3.2364,1.5734,1.6005,1.7901,1.9156,1.9836,D05277_R03AC13,0026000000000040030006000082420480000000400052200000008000000400100040810020002220042018000100440102028000000008000000020000041008400800410008010010100002800000008000400400380850080800800940000000000000000402004000008010000400060100080110200800000002000000,0100002c52f001,0328420104000000000080000a0000000000000000010000000000000000000000000200c02a04,000000000000210000000a5088601d605decf3ff1f,0,12,38,1,0,9,50,51,-11.860999999999999,-3.875,2,0.0,0.002154564,-,0.7941,+,0.7941,https://www.genome.jp/dbget-bin/www_bget?dr:D05277
5003,D07713, Clenbuterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC14,RESPIRATORY SYSTEM,C([NH2+]C[C@H](c1cc(c(c(c1)Cl)N)Cl)O)(C)(C)C,278.198,2.5521,75.1266,62.86,21,3,2,STJMRWALKKWQGH-SNVBAGLBSA-O,C12H19Cl2N2O+,OC(c1cc(Cl)c(c(c1)Cl)N)C[NH2+]C(C)(C)C,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1/t10-/m1/s1",-5.7038,-5.6708,-5.0961,-5.0828,-4.3389,-4.3312,1.5662,1.5907,1.7833,1.7934,1.9817,D07713_R03AC14,0006020000000040020006000000000400000000000000000004008000200000100048810000002220012018000000400002000000000000000000020000001008000800400000800004000006000002008800400400200840080800800100000000000000000004204000008000000000060940000110000008001402800000,0100002c00f021,012840090400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408007cb4f0bd1f,0,6,30,0,0,4,36,36,-11.422,-3.826,1,-1.0,2.63387e-05,-,0.4194,-,0.4194,https://www.genome.jp/dbget-bin/www_bget?dr:D07713
5004,D07713, Clenbuterol (INN), Selective beta-2-adrenoreceptor agonists,R03CC13,RESPIRATORY SYSTEM,C([NH2+]C[C@H](c1cc(c(c(c1)Cl)N)Cl)O)(C)(C)C,278.198,2.5521,75.1266,62.86,21,3,2,STJMRWALKKWQGH-SNVBAGLBSA-O,C12H19Cl2N2O+,OC(c1cc(Cl)c(c(c1)Cl)N)C[NH2+]C(C)(C)C,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1/t10-/m1/s1",-5.7079,-5.6664,-5.0964,-5.0849,-4.3338,-4.3214,1.5591,1.5599,1.5922,1.7937,1.983,D07713_R03CC13,0006020000000040020006000000000400000000000000000004008000200000100048810000002220012018000000400002000000000000000000020000001008000800400000800004000006000002008800400400200840080800800100000000000000000004204000008000000000060940000110000008001402800000,0100002c00f021,012840090400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408007cb4f0bd1f,0,6,30,0,0,4,36,36,-11.422,-3.826,1,-1.0,2.63387e-05,-,0.4194,-,0.4194,https://www.genome.jp/dbget-bin/www_bget?dr:D07713
5005,D01360, Clenbuterol hydrochloride (JAN/USP), Selective beta-2-adrenoreceptor agonists,R03AC14,RESPIRATORY SYSTEM,C([NH2+]C[C@H](c1cc(c(c(c1)Cl)N)Cl)O)(C)(C)C,278.198,2.5521,75.1266,62.86,21,3,2,STJMRWALKKWQGH-SNVBAGLBSA-O,C12H19Cl2N2O+,OC(c1cc(Cl)c(c(c1)Cl)N)C[NH2+]C(C)(C)C,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1/t10-/m1/s1",-5.7059,-5.6746,-5.1033,-5.0848,-4.3501,-4.3176,1.5736,1.5841,1.7815,1.8627,1.9851,D01360_R03AC14,0006020000000040020006000000000400000000000000000004008000200000100048810000002220012018000000400002000000000000000000020000001008000800400000800004000006000002008800400400200840080800800100000000000000000004204000008000000000060940000110000008001402800000,0100002c00f021,012840090400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408007cb4f0bd1f,0,6,30,0,0,4,36,36,-11.421,-3.826,1,,2.6341700000000002e-05,-,0.4194,-,0.4194,https://www.genome.jp/dbget-bin/www_bget?dr:D01360
5006,D01360, Clenbuterol hydrochloride (JAN/USP), Selective beta-2-adrenoreceptor agonists,R03CC13,RESPIRATORY SYSTEM,C([NH2+]C[C@H](c1cc(c(c(c1)Cl)N)Cl)O)(C)(C)C,278.198,2.5521,75.1266,62.86,21,3,2,STJMRWALKKWQGH-SNVBAGLBSA-O,C12H19Cl2N2O+,OC(c1cc(Cl)c(c(c1)Cl)N)C[NH2+]C(C)(C)C,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1/t10-/m1/s1",-5.7044,-5.6774,-5.0926,-5.0904,-4.3354,-4.3266,1.5674,1.5842,1.7834,1.837,1.9801,D01360_R03CC13,0006020000000040020006000000000400000000000000000004008000200000100048810000002220012018000000400002000000000000000000020000001008000800400000800004000006000002008800400400200840080800800100000000000000000004204000008000000000060940000110000008001402800000,0100002c00f021,012840090400000000000000000000000000000000040000000000000000000000000200c02204,000000000000210002024a40c88408007cb4f0bd1f,0,6,30,0,0,4,36,36,-11.421,-3.826,1,,2.6341700000000002e-05,-,0.4194,-,0.4194,https://www.genome.jp/dbget-bin/www_bget?dr:D01360
5007,D08474, Reproterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC15,RESPIRATORY SYSTEM,c1c(cc(cc1O)[C@H](C[NH2+]CCCn1c2c(nc1)n(c(=O)n(c2=O)C)C)O)O,390.414,-1.4680000000000002,105.021,139.12,30,4,9,WVLAAKXASPCBGT-AWEZNQCLSA-O,C18H24N5O5+,Oc1cc(O)cc(c1)C(C[NH2+]CCCn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3/p+1/t14-/m0/s1",-5.7029,-5.6795,-4.7531,-4.5935,-4.3853,-4.3132,1.5574,1.5777,1.7696,1.979,2.853,D08474_R03AC15,80260000000008c012004600004000040000040000000060000020c00000040014007081410080236000201800010080000a02000000400000800802000090100c000c00800028000000c40102900000008001400c80200ce009088080016006000000000080000240c00080c00008000007010200011820081c804a2b000000,0100002c02f001,022840010400000000008000200000004042040000019900000000000000000000004640c03204,000000003000310001d43edf9b63b1c38defffff1f,0,16,36,2,0,7,52,54,-11.36,-4.353,1,0.0,0.000134808,+,1.365,-,1.365,https://www.genome.jp/dbget-bin/www_bget?dr:D08474
5008,D08474, Reproterol (INN), Selective beta-2-adrenoreceptor agonists,R03CC14,RESPIRATORY SYSTEM,c1c(cc(cc1O)[C@H](C[NH2+]CCCn1c2c(nc1)n(c(=O)n(c2=O)C)C)O)O,390.414,-1.4680000000000002,105.021,139.12,30,4,9,WVLAAKXASPCBGT-AWEZNQCLSA-O,C18H24N5O5+,Oc1cc(O)cc(c1)C(C[NH2+]CCCn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3/p+1/t14-/m0/s1",-5.7214,-5.6055,-4.819,-4.5928,-4.4037,-4.341,1.757,1.9852,2.044,2.8599,2.9487,D08474_R03CC14,80260000000008c012004600004000040000040000000060000020c00000040014007081410080236000201800010080000a02000000400000800802000090100c000c00800028000000c40102900000008001400c80200ce009088080016006000000000080000240c00080c00008000007010200011820081c804a2b000000,0100002c02f001,022840010400000000008000200000004042040000019900000000000000000000004640c03204,000000003000310001d43edf9b63b1c38defffff1f,0,16,36,2,0,7,52,54,-11.36,-4.353,1,0.0,0.000134808,+,1.365,-,1.365,https://www.genome.jp/dbget-bin/www_bget?dr:D08474
5009,D05718, Reproterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03AC15,RESPIRATORY SYSTEM,c1c(cc(cc1O)[C@H](C[NH2+]CCCn1c2c(nc1)n(c(=O)n(c2=O)C)C)O)O,390.414,-1.4680000000000002,105.021,139.12,30,4,9,WVLAAKXASPCBGT-AWEZNQCLSA-O,C18H24N5O5+,Oc1cc(O)cc(c1)C(C[NH2+]CCCn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3/p+1/t14-/m0/s1",-5.6974,-5.6784,-4.797,-4.593999999999999,-4.3913,-4.3204,1.5683,1.581,1.7768,1.9767,2.8461,D05718_R03AC15,80260000000008c012004600004000040000040000000060000020c00000040014007081410080236000201800010080000a02000000400000800802000090100c000c00800028000000c40102900000008001400c80200ce009088080016006000000000080000240c00080c00008000007010200011820081c804a2b000000,0100002c02f001,022840010400000000008000200000004042040000019900000000000000000000004640c03204,000000003000310001d43edf9b63b1c38defffff1f,0,16,36,2,0,7,52,54,-11.353,-4.353,1,0.0,0.00014186,+,1.365,-,1.365,https://www.genome.jp/dbget-bin/www_bget?dr:D05718
5010,D05718, Reproterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03CC14,RESPIRATORY SYSTEM,c1c(cc(cc1O)[C@H](C[NH2+]CCCn1c2c(nc1)n(c(=O)n(c2=O)C)C)O)O,390.414,-1.4680000000000002,105.021,139.12,30,4,9,WVLAAKXASPCBGT-AWEZNQCLSA-O,C18H24N5O5+,Oc1cc(O)cc(c1)C(C[NH2+]CCCn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3/p+1/t14-/m0/s1",-5.6717,-5.64,-4.7252,-4.5986,-4.4063,-4.3528,1.7035,1.8115,1.9812,2.8518,2.8527,D05718_R03CC14,80260000000008c012004600004000040000040000000060000020c00000040014007081410080236000201800010080000a02000000400000800802000090100c000c00800028000000c40102900000008001400c80200ce009088080016006000000000080000240c00080c00008000007010200011820081c804a2b000000,0100002c02f001,022840010400000000008000200000004042040000019900000000000000000000004640c03204,000000003000310001d43edf9b63b1c38defffff1f,0,16,36,2,0,7,52,54,-11.353,-4.353,1,0.0,0.00014186,+,1.365,-,1.365,https://www.genome.jp/dbget-bin/www_bget?dr:D05718
5011,D08424, Procaterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC16,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@H]([C@@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-BLLLJJGKSA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m0/s1",-5.7141,-5.6757,-4.3516,-4.2639,-4.1048,-3.562,1.5851,1.6399,1.7825,1.9282,1.9764,D08424_R03AC16,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.862,-3.9160000000000004,2,-2.0,1.87851e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D08424
5012,D08424, Procaterol (INN), Selective beta-2-adrenoreceptor agonists,R03CC08,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@H]([C@@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-BLLLJJGKSA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m0/s1",-5.7117,-5.6791,-4.3652,-4.2936,-4.1567,-3.5504,1.591,1.6383,1.7736,1.9439,1.9784,D08424_R03CC08,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.862,-3.9160000000000004,2,-2.0,1.87851e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D08424
5013,D02404, Procaterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03AC16,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@H]([C@@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-BLLLJJGKSA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m0/s1",-5.7047,-5.6825,-4.3599,-4.2947,-4.1179,-3.5648,1.5866,1.6333,1.7831,1.946,1.9765,D02404_R03AC16,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.864,-3.9160000000000004,2,1.0,1.87822e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D02404
5014,D02404, Procaterol hydrochloride (USAN), Selective beta-2-adrenoreceptor agonists,R03CC08,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@H]([C@@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-BLLLJJGKSA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m0/s1",-5.7125,-5.6776,-4.3364,-4.2768,-4.1842,-3.537,1.5805,1.6276,1.7797,1.9283,1.9793,D02404_R03CC08,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.864,-3.9160000000000004,2,1.0,1.87822e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D02404
5015,D05366, Procaterol hydrochloride hydrate (JP17), Selective beta-2-adrenoreceptor agonists,R03AC16,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@@H]([C@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-WBMJQRKESA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m1/s1",-5.7093,-5.6786,-4.3499,-4.2707,-4.1469,-3.5478,1.5744,1.6314,1.7964,1.9457,1.9762,D05366_R03AC16,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.866,-3.917,2,1.0,1.87991e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D05366
5016,D05366, Procaterol hydrochloride hydrate (JP17), Selective beta-2-adrenoreceptor agonists,R03CC08,RESPIRATORY SYSTEM,c1(c2c(c(cc1)[C@@H]([C@H]([NH2+]C(C)C)CC)O)ccc(=O)[nH]2)O,291.365,1.0175,85.6209,89.93,26,4,3,FKNXQNWAXFXVNW-WBMJQRKESA-O,C16H23N2O3+,CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)[NH2+]C(C)C,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m1/s1",-5.709,-5.6805,-4.3227,-4.26,-4.0848,-3.5677,1.5742,1.6343,1.7935,1.9349,1.9714,D05366_R03CC08,200600000000044002000600000000041000000040005200000000c00024000010105081000080232880201800010040010222000000600000000002000000100c000c00400010000000600002880098008000400400300c6008084080094006000020000000000264c000008000040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,00000000000021000102084a926913410475d3fe1f,0,11,33,1,0,5,44,45,-11.866,-3.917,2,1.0,1.87991e-05,-,0.7261,-,0.7261,https://www.genome.jp/dbget-bin/www_bget?dr:D05366
5017,D07534, Bitolterol (INN), Selective beta-2-adrenoreceptor agonists,R03AC17,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)ccc(c(c1)OC(=O)c1ccc(cc1)C)OC(=O)c1ccc(cc1)C,462.55699999999996,4.1371,133.435,89.44,37,2,5,FZGVEKPRDOIXJY-HSZRJFAPSA-O,C28H32NO5+,Cc1ccc(cc1)C(=O)Oc1cc(ccc1OC(=O)c1ccc(cc1)C)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3/p+1/t23-/m1/s1",-5.704,-5.6743,-4.3157,-4.3156,-4.2606,-4.2563,1.5619,1.5806,1.5962,1.7772,1.9954,D07534_R03AC17,00060010000000c00a00060000020004040000000000520000200080000000021410c08100000012200a2218000000000002020000004800000000020000021008800802050001018000012002c28000008000400000200840080800800100000000000000000402004000808010000000062540080110200808004a00000004,0500002c50f005,012840010400000000009000000000000001000000000000000000000000000000000240c02204,000000000000210082020a40888009648cdcf3ff1f,0,18,48,2,0,10,66,68,-11.675,-3.748,1,1.0,0.479005069,+,1.6757,-,1.6757,https://www.genome.jp/dbget-bin/www_bget?dr:D07534
5018,D00684, Bitolterol mesylate (USAN), Selective beta-2-adrenoreceptor agonists,R03AC17,RESPIRATORY SYSTEM,c1([C@@H](C[NH2+]C(C)(C)C)O)ccc(c(c1)OC(=O)c1ccc(cc1)C)OC(=O)c1ccc(cc1)C,462.55699999999996,4.1371,133.435,89.44,37,2,5,FZGVEKPRDOIXJY-HSZRJFAPSA-O,C28H32NO5+,Cc1ccc(cc1)C(=O)Oc1cc(ccc1OC(=O)c1ccc(cc1)C)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3/p+1/t23-/m1/s1",-5.6988,-5.6725,-4.293,-4.2792,-4.2508,-4.2045,1.5659,1.7936,1.8334,1.8388,1.9713,D00684_R03AC17,00060010000000c00a00060000020004040000000000520000200080000000021410c08100000012200a2218000000000002020000004800000000020000021008800802050001018000012002c28000008000400000200840080800800100000000000000000402004000808010000000062540080110200808004a00000004,0500002c50f005,012840010400000000009000000000000001000000000000000000000000000000000240c02204,000000000000210082020a40888009648cdcf3ff1f,0,18,48,2,0,10,66,68,-11.675999999999998,-3.747,1,2.0,0.478558451,+,1.6757,-,1.6757,https://www.genome.jp/dbget-bin/www_bget?dr:D00684
5019,D09318, Indacaterol (USAN/INN), Selective beta-2-adrenoreceptor agonists,R03AC18,RESPIRATORY SYSTEM,[C@H](C[NH2+]C1Cc2c(C1)cc(c(c2)CC)CC)(c1c2c(c(cc1)O)[nH]c(=O)cc2)O,393.499,2.1227,118.085,89.93,32,4,3,QZZUEBNBZAPZLX-QFIPXVFZSA-O,C24H29N2O3+,CCc1cc2CC(Cc2cc1CC)[NH2+]CC(c1ccc(c2c1ccc(=O)[nH]2)O)O,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1",-5.6917,-5.6732,-4.3223,-4.2981,-4.0943,-3.5553,1.5837,1.6017,1.7865,1.9602,1.9838,D09318_R03AC18,202600000000044002000600000000041000800040005200000000c00024000010105081004080232880201800010040010222000000200000000002000200100c000e00400018000010600002880090008800400400300c6008084080094006010020000000000264c00000a110040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,000000000000210001000ac89a6913c11de5f3ff1f,0,17,43,1,0,6,58,61,-11.773,-3.96,1,1.0,0.09571193199999999,+,1.2802,-,1.2802,https://www.genome.jp/dbget-bin/www_bget?dr:D09318
5020,D09319, Indacaterol maleate (JAN/USAN), Selective beta-2-adrenoreceptor agonists,R03AC18,RESPIRATORY SYSTEM,[C@H](C[NH2+]C1Cc2c(C1)cc(c(c2)CC)CC)(c1c2c(c(cc1)O)[nH]c(=O)cc2)O,393.499,2.1227,118.085,89.93,32,4,3,QZZUEBNBZAPZLX-QFIPXVFZSA-O,C24H29N2O3+,CCc1cc2CC(Cc2cc1CC)[NH2+]CC(c1ccc(c2c1ccc(=O)[nH]2)O)O,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1",-5.7067,-5.6747,-4.4053,-4.3395,-4.155,-3.5457,1.5869,1.6397,1.7738,1.9809999999999999,1.9818,D09319_R03AC18,202600000000044002000600000000041000800040005200000000c00024000010105081004080232880201800010040010222000000200000000002000200100c000e00400018000010600002880090008800400400300c6008084080094006010020000000000264c00000a110040000060140024110600808000102000000,0100002c02f001,032840010400000000008000200000000001000000018500000000000000000000004640c02a04,000000000000210001000ac89a6913c11de5f3ff1f,0,17,43,1,0,6,58,61,-11.772,-3.9610000000000003,1,0.0,0.095752835,+,1.2802,-,1.2802,https://www.genome.jp/dbget-bin/www_bget?dr:D09319
5021,D10145, Olodaterol (USAN/INN), Selective beta-2-adrenoreceptor agonists,R03AC19,RESPIRATORY SYSTEM,C1(=O)Nc2c(OC1)c(cc(c2)O)[C@H](C[NH2+]C(Cc1ccc(cc1)OC)(C)C)O,387.449,1.4878,110.523,104.63,33,4,6,COUYJEVMBVSIHV-SFHVURJKSA-O,C21H27N2O5+,COc1ccc(cc1)CC([NH2+]CC(c1cc(O)cc2c1OCC(=O)N2)O)(C)C,"InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1",-5.7026,-5.6778,-4.3425,-4.3176,-3.8313,-3.2778,1.5847,1.7835,1.8291,1.9842,1.9862,D10145_R03AC19,002600020040004003000600008342048000000048001a28000000c00000040010804081002000322006241800011045012602800000000800800282800004900864080041100801001010000280800280c0004004003c085008080080094300000a00000000040200400080801000940206010008111060080000ca02600004,0500002c52f001,032842010400000000008000200000000000000000010000000000000000000000004600c02a04,000000000000310182020a5d9bf19d614dffd3ff1f,0,12,44,1,0,7,55,57,-11.652000000000001,-3.702,1,1.0,0.007160673,+,0.9202,-,0.9202,https://www.genome.jp/dbget-bin/www_bget?dr:D10145
5022,D10020, Olodaterol hydrochloride (JAN/USAN), Selective beta-2-adrenoreceptor agonists,R03AC19,RESPIRATORY SYSTEM,C1(=O)Nc2c(OC1)c(cc(c2)O)[C@H](C[NH2+]C(Cc1ccc(cc1)OC)(C)C)O,387.449,1.4878,110.523,104.63,33,4,6,COUYJEVMBVSIHV-SFHVURJKSA-O,C21H27N2O5+,COc1ccc(cc1)CC([NH2+]CC(c1cc(O)cc2c1OCC(=O)N2)O)(C)C,"InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1",-5.7004,-5.6813,-4.3233,-4.3228,-3.8341,-3.2813,1.5881,1.7755,1.8274,1.9763,1.9880000000000002,D10020_R03AC19,002600020040004003000600008342048000000048001a28000000c00000040010804081002000322006241800011045012602800000000800800282800004900864080041100801001010000280800280c0004004003c085008080080094300000a00000000040200400080801000940206010008111060080000ca02600004,0500002c52f001,032842010400000000008000200000000000000000010000000000000000000000004600c02a04,000000000000310182020a5d9bf19d614dffd3ff1f,0,12,44,1,0,7,55,57,-11.654000000000002,-3.7030000000000003,1,1.0,0.007163013,+,0.9202,-,0.9202,https://www.genome.jp/dbget-bin/www_bget?dr:D10020
5023,D01946, Oxitropium bromide (JAN/INN), Anticholinergics,R03BB02,RESPIRATORY SYSTEM,[C@H]12[C@H]([C@H]3[N@@+]([C@@H]1C[C@H](C3)OC(=O)[C@@H](c1ccccc1)CO)(C)CC)O2,332.414,1.4116,94.1498,59.06,30,1,4,NVOYVOBDTVTBDX-ZVDAJOARSA-N,C19H26NO4+,OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)CC)O3,"InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13-,14-,15-,16+,17-,18+,20+/m1/s1",-5.6204,-5.5567,-4.8179,-4.673,-4.3821,-2.9875,1.5434,1.6494,1.6663,1.6873,1.6916,D01946_R03BB02,00260000002002000600060000020000011000100000000000000080010400101000500080000013100a001820000100010200000020c015000000020000a2180811080008100c4000008802028000110090015000002008c008080100000000400000200000000010000000c000280000070180000110000000000140000000,0500001c30f005,079840040400000000009000000000000000000000000000000000000000000000004e00c02a05,0080242000000101000436d11bd98ee7094f9bff1f,0,6,46,1,0,6,50,53,-12.136,-4.138,5,1.0,0.004199214000000001,+,1.9775,-,1.9775,https://www.genome.jp/dbget-bin/www_bget?dr:D01946
5024,D01929, Tiotropium bromide hydrate (JAN), Anticholinergics,R03BB04,RESPIRATORY SYSTEM,[C@@H]12[C@H](O2)[C@@H]2[N+]([C@H]1C[C@@H](C2)OC(=O)C(c1sccc1)(c1cccs1)O)(C)C,392.51199999999994,2.3045,104.66,115.54,26,1,6,LERNTVKEWCAPOY-DZZGSBJMSA-N,C19H22NO4S2+,O=C(C(c1cccs1)(c1cccs1)O)OC1CC2C3C(C(C1)[N+]2(C)C)O3,"InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+",-5.6229,-5.6226,-4.8264,-4.7813,-4.7528,-4.3889,1.6588,1.7065,1.7133,2.0791,2.2075,D01929_R03BB04,4026c100002082600600060080030000251000d00002000000000024010400121000500880001017900a085820280100150200000020d0140a0000020008a2180891080008300c40000088021280000180d001d00002a0008000480000010200412000218000000010400000c040280001170180000110000000000540040100,0500004c30f005,02c84004040000000000900000000000000000000000c000000000000000000000004e00c02204,00802420080001018206b5d013c188e7084d9bfa1f,0,10,41,1,0,5,48,52,-11.467,-4.1160000000000005,4,,0.04304437,+,4.1087,-,4.1087,https://www.genome.jp/dbget-bin/www_bget?dr:D01929
5025,D08837, Aclidinium bromide (JAN/USAN/INN), Anticholinergics,R03BB05,RESPIRATORY SYSTEM,C(c1cccs1)(C(=O)O[C@@H]1[C@H]2CC[N@@+](C1)(CC2)CCCOc1ccccc1)(O)c1cccs1,484.651,4.6256,136.509,112.24,34,1,6,ASMXXROZKSBQIH-DVBNTOJCSA-N,C26H30NO4S2+,O=C(C(c1cccs1)(c1cccs1)O)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2,"InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20-,22-,27+/m0/s1",-4.7695,-4.7585,-4.758,-4.6793,-4.651,-4.4595,1.5321,1.5913,1.8246,1.992,2.0526,D08837_R03BB05,402ec100002080600200060080030000250000d00002000000000024010400121000500880001017800a085820280100150202000000d0040a0000020008261808b0090009300c41000000001280800180d001d00002a000c008480000010200412000218000000200400002c050100001170180080310200800000540040104,0500004c70f005,06484204040000000000900000000000000000000000c000000000000000000000008600c02204,00000020080001008204b5c00bd1a1e7094f8f771f,0,16,50,1,0,10,63,67,-11.652000000000001,-3.8489999999999998,1,1.0,0.911883533,+,2.4616,-,2.4616,https://www.genome.jp/dbget-bin/www_bget?dr:D08837
5026,D10181, Umeclidinium bromide (JAN/USAN), Anticholinergics,R03BB07,RESPIRATORY SYSTEM,C1[C@]2(CC[N@@+](C1)(CC2)CCOCc1ccccc1)C(c1ccccc1)(c1ccccc1)O,428.586,5.0988,133.96200000000002,29.46,36,1,2,FVTWTVQXNAJTQP-KRKINAOUSA-N,C29H34NO2+,OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1,"InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1/t28-,30+",-4.8129,-4.7952,-4.7672,-4.6976,-3.8325,-2.3933,1.4664,1.4665,1.4671,1.6711,2.0681,D10181_R03BB07,000e00000000004002000600800200000100005000000800002000a0000400001000500000000013200000180001000001020000000040000000000200000010080008020810080000002100020000000080015000103008c0080800000910000000002100000000004000009000100000060180020110000000000100000000,0100004c30f001,0ac840040400000000000000000000000000000000000000000000000000000000008600c02204,0000002000000100020430460ad120a309078d751f,0,18,52,0,0,8,66,70,-12.107000000000001,-3.574,0,-1.0,0.8474789859999999,+,1.6808,-,1.6808,https://www.genome.jp/dbget-bin/www_bget?dr:D10181
5027,D07949, Fenspiride (INN)," Other drugs for obstructive airway diseases, inhalants",R03BX01,RESPIRATORY SYSTEM,c1cccc(c1)CC[N@@H+]1CC[C@]2(CC1)CNC(=O)O2,261.339,2.2844,81.8384,42.77,24,2,3,FVNFBBAOMBJTST-UHFFFAOYSA-O,C15H21N2O2+,O=C1NCC2(O1)CC[NH+](CC2)CCc1ccccc1,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)/p+1",-6.0186,-6.0089999999999995,-5.2805,-4.5944,-4.582,-4.5363,1.5749,1.7209999999999999,1.9626,2.024,2.0284,D07949_R03BX01,00260000000000800700060000020004000000100000001002100080010000001800508180000003500c24180000000001020000000880000000000200002200080018000010000000010000028000000080035000002008c0080800800220000000002001000000008000008000000000060100000310000050400100000000,0100000030f001,020040020400000000000000000000000040000100000000000000000000000000002600c02a04,0000400000000101020436c68be3b0c70d63cd7f1f,0,6,35,1,0,3,40,42,-12.882,-4.189,0,0.0,0.0027871379999999998,+,0.5068,-,0.5068,https://www.genome.jp/dbget-bin/www_bget?dr:D07949
5028,D07949, Fenspiride (INN), Other systemic drugs for obstructive airway diseases,R03DX03,RESPIRATORY SYSTEM,c1cccc(c1)CC[N@@H+]1CC[C@]2(CC1)CNC(=O)O2,261.339,2.2844,81.8384,42.77,24,2,3,FVNFBBAOMBJTST-UHFFFAOYSA-O,C15H21N2O2+,O=C1NCC2(O1)CC[NH+](CC2)CCc1ccccc1,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)/p+1",-6.0379,-6.0215,-5.2363,-4.5893,-4.5663,-4.535,1.5777,1.6998,1.9571,2.0226,2.0298,D07949_R03DX03,00260000000000800700060000020004000000100000001002100080010000001800508180000003500c24180000000001020000000880000000000200002200080018000010000000010000028000000080035000002008c0080800800220000000002001000000008000008000000000060100000310000050400100000000,0100000030f001,020040020400000000000000000000000040000100000000000000000000000000002600c02a04,0000400000000101020436c68be3b0c70d63cd7f1f,0,6,35,1,0,3,40,42,-12.882,-4.189,0,0.0,0.0027871379999999998,+,0.5068,-,0.5068,https://www.genome.jp/dbget-bin/www_bget?dr:D07949
5029,D04163, Fenspiride hydrochloride (USAN)," Other drugs for obstructive airway diseases, inhalants",R03BX01,RESPIRATORY SYSTEM,c1cccc(c1)CC[N@@H+]1CC[C@@]2(CC1)CNC(=O)O2,261.339,2.2844,81.8384,42.77,24,2,3,FVNFBBAOMBJTST-UHFFFAOYSA-O,C15H21N2O2+,O=C1NCC2(O1)CC[NH+](CC2)CCc1ccccc1,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)/p+1",-6.0053,-5.9909,-5.2767,-4.5956,-4.5835,-4.5325,1.5754,1.5778,2.023,2.0317,2.0502,D04163_R03BX01,00260000000000800700060000020004000000100000001002100080010000001800508180000003500c24180000000001020000000880000000000200002200080018000010000000010000028000000080035000002008c0080800800220000000002001000000008000008000000000060100000310000050400100000000,0100000030f001,020040020400000000000000000000000040000100000000000000000000000000002600c02a04,0000400000000101020436c68be3b0c70d63cd7f1f,0,6,35,1,0,3,40,42,-12.857999999999999,-4.245,0,1.0,0.001845114,+,0.5068,-,0.5068,https://www.genome.jp/dbget-bin/www_bget?dr:D04163
5030,D04163, Fenspiride hydrochloride (USAN), Other systemic drugs for obstructive airway diseases,R03DX03,RESPIRATORY SYSTEM,c1cccc(c1)CC[N@@H+]1CC[C@@]2(CC1)CNC(=O)O2,261.339,2.2844,81.8384,42.77,24,2,3,FVNFBBAOMBJTST-UHFFFAOYSA-O,C15H21N2O2+,O=C1NCC2(O1)CC[NH+](CC2)CCc1ccccc1,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)/p+1",-6.0065,-5.9882,-5.2872,-4.5944,-4.5842,-4.539,1.5746,1.5787,2.0233,2.0323,2.0481,D04163_R03DX03,00260000000000800700060000020004000000100000001002100080010000001800508180000003500c24180000000001020000000880000000000200002200080018000010000000010000028000000080035000002008c0080800800220000000002001000000008000008000000000060100000310000050400100000000,0100000030f001,020040020400000000000000000000000040000100000000000000000000000000002600c02a04,0000400000000101020436c68be3b0c70d63cd7f1f,0,6,35,1,0,3,40,42,-12.857999999999999,-4.245,0,1.0,0.001845114,+,0.5068,-,0.5068,https://www.genome.jp/dbget-bin/www_bget?dr:D04163
5031,D01635, Methoxyphenamine hydrochloride (JAN), Non-selective beta-adrenoreceptor agonists,R03CB02,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@H](CC)[NH2+]C)OC,180.267,1.3395,56.3804,25.84,19,1,1,AQJWUFYHPCPVOG-JTQLQIEISA-O,C11H18NO+,CCC(c1ccccc1OC)[NH2+]C,"InChI=1S/C11H17NO/c1-4-10(12-2)9-7-5-6-8-11(9)13-3/h5-8,10,12H,4H2,1-3H3/p+1/t10-/m0/s1",-5.7116,-5.684,-5.6302,-4.4461,-1.2612,-1.1886,1.5844,1.8049,1.8224,1.8271,2.0438,D01635_R03CB02,000600000000040402000600000300000000008000000000000000c000000000100440000000000000800018000100000100020000000000000000020000000008200000010000010000000002080000408000400000300840080800000800000016000200000002000100000010000000060100080110200800000000000000,0100000050f001,030042010400000000000000000000000000000000000000000000000000000000000200c02204,00000000000001000000081081400b6000d0f0bc1f,0,6,25,0,0,4,31,31,-13.100999999999999,-3.8789999999999996,1,0.0,0.000197383,-,0.6233,+,0.6233,https://www.genome.jp/dbget-bin/www_bget?dr:D01635
5032,D07377, Bambuterol (INN), Selective beta-2-adrenoreceptor agonists,R03CC12,RESPIRATORY SYSTEM,c1c(cc(cc1OC(=O)N(C)C)[C@@H](C[NH2+]C(C)(C)C)O)OC(=O)N(C)C,368.44800000000004,1.2027,99.8842,95.92,37,2,7,ANZXOIAKUNOVQU-OAHLLOKOSA-O,C18H30N3O5+,O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3/p+1/t15-/m1/s1",-5.6949,-5.678,-5.3544,-5.3437,-5.2621,-5.2005,1.7924,1.8222,1.9884,2.3274,2.3411,D07377_R03CC12,00060010000000400300060000020204000000000000000002000180000000001020408100000012300c201800000000000a0200000008000400000200000210080018000500010100000020028a0000008000400000200840080800800300040000000000000042004000808010000000060100080110600800004a01000000,0100002c50f001,012840010400000000000000000000000040000100000000000000000000000000000200c02204,000040000000210002023a5188a219668c7cdaff1f,0,6,48,2,0,10,56,56,-11.677,-3.825,1,1.0,0.000620366,+,1.1582,-,1.1582,https://www.genome.jp/dbget-bin/www_bget?dr:D07377
5033,D07489, Bambuterol hydrochloride, Selective beta-2-adrenoreceptor agonists,R03CC12,RESPIRATORY SYSTEM,c1c(cc(cc1OC(=O)N(C)C)[C@@H](C[NH2+]C(C)(C)C)O)OC(=O)N(C)C,368.44800000000004,1.2027,99.8842,95.92,37,2,7,ANZXOIAKUNOVQU-OAHLLOKOSA-O,C18H30N3O5+,O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(C[NH2+]C(C)(C)C)O,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3/p+1/t15-/m1/s1",-5.6979,-5.6788,-5.3799,-5.3285,-5.2361,-5.1856,1.7898,1.9123,1.9901,2.3274,2.3429,D07489_R03CC12,00060010000000400300060000020204000000000000000002000180000000001020408100000012300c201800000000000a0200000008000400000200000210080018000500010100000020028a0000008000400000200840080800800300040000000000000042004000808010000000060100080110600800004a01000000,0100002c50f001,012840010400000000000000000000000040000100000000000000000000000000000200c02204,000040000000210002023a5188a219668c7cdaff1f,0,6,48,2,0,10,56,56,-11.665999999999999,-3.823,1,2.0,0.000631356,+,1.1582,-,1.1582,https://www.genome.jp/dbget-bin/www_bget?dr:D07489
5034,D00691, Dyphylline (USP), Xanthines,R03DA01,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c2=O)C)C)ncn1C[C@@H](CO)O,254.243,-2.2131,63.9766,102.28,19,2,8,KSCFJBIXMNOVSH-LURJTMIESA-N,C10H14N4O4,OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m0/s1",-4.8123,-4.5859,-3.0875,-3.0156,-2.964,-1.9176,1.4158,1.4866,1.4978,1.5102,2.3599,D00691_R03DA01,80020000000008c000004600004000003000040000000060000020c00000040014003004410080274000001000010080000000000000c00000800800000080000c800c00800028000000c00000900000000001400c80000ca000808000014006000000000080000040c10000600008000007010200000880001880002a000000,0000003c00b001,003800000001000000008000200000004042040000009900000000000000000000004640403004,000000003000200081d416db9b3391438cefbaff1f,0,10,21,2,0,3,32,33,-9.472000000000001,-0.34600000000000003,1,1.0,0.002009719,-,0.9614,-,0.9614,https://www.genome.jp/dbget-bin/www_bget?dr:D00691
5035,D02017, Oxtriphylline (USP), Xanthines,R03DA02,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,10,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D02017_R03DA02,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-11.142000000000001,-6.79,0,1.0,0.00072127,+,0.7798,-,0.7798,https://www.genome.jp/dbget-bin/www_bget?dr:D02017
5036,D01771, Proxyphylline (JAN/INN), Xanthines,R03DA03,RESPIRATORY SYSTEM,n1(c2c(n(c(=O)n(c2=O)C)C)nc1)C[C@H](C)O,238.243,-1.1855,62.8148,82.05,18,1,7,KYHQZNGJUGFTGR-LURJTMIESA-N,C10H14N4O3,CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O,"InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3/t6-/m0/s1",-4.7616,-4.5876,-3.0918,-3.0097,-2.9653,-2.0845,1.4104,1.4843,1.493,1.515,1.8701,D01771_R03DA03,80020000000008c000004600004000003000040000000060000020c00000040014003004410080234000001000010080000000000000400000800800000080000c800c00800028000000c00000900000000001400c80000ca000008000014006000000000080000040c10000400008000007010200000880001880002a000000,0000002c00b001,012800000000000000008000200000004042040000009900000000000000000000004640403004,000000003000000001d414d99b23954388f5baff1f,0,10,20,2,0,2,31,32,-9.392999999999999,-0.313,1,,0.002262755,-,0.8535,-,0.8535,https://www.genome.jp/dbget-bin/www_bget?dr:D01771
5037,D00371, Theophylline (JP17), Xanthines,R03DA04,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D00371_R03DA04,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.415,-0.195,0,,0.0033720770000000002,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D00371
5038,D01712, Theophylline sodium acetate (JAN), Xanthines,R03DA04,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D01712_R03DA04,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.416,-0.196,0,1.0,0.00337251,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D01712
5039,D06103, Theophylline (USP), Xanthines,R03DA04,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D06103_R03DA04,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.415,-0.195,0,1.0,0.0033720770000000002,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D06103
5040,D06104, Theophylline sodium glycinate (USP), Xanthines,R03DA04,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D06104_R03DA04,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.415,-0.195,0,1.0,0.003368517,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D06104
5041,D00227, Aminophylline (USP/INN), Xanthines,R03DA05,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D00227_R03DA05,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.415,-0.193,0,0.0,0.003371883,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D00227
5042,D05429, Aminophylline hydrate (JP17), Xanthines,R03DA05,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D05429_R03DA05,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.419,-0.195,0,1.0,0.003371835,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D05429
5043,D07378, Etamiphylline (INN), Xanthines,R03DA06,RESPIRATORY SYSTEM,n1(c(=O)n(c2c(c1=O)n(cn2)CC[NH+](CC)CC)C)C,280.346,-1.6416,80.2277,66.26,25,1,6,AWKLBIOQCIORSB-UHFFFAOYSA-O,C13H22N5O2+,CC[NH+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC,"InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3/p+1",-6.0449,-4.8111,-4.5864,-4.5618,-4.5279,-4.5003,1.5095,1.5741,1.5996,1.6053,1.7709,D07378_R03DA06,800a0000000008c010004600004000080000040000000060000020c00000040004003002410080214000003000010080000000000000400000800800000080000c000c00800828000000400102900000000000400c90200ca000008000016006000000000080000080c00000400018000007014200000800001c80002a000000,0100000000f001,010040020400000000008000200000004042040000009900000000000000000000004640c03200,000000003000010001d436d99b6bbb4381f37cef1f,0,10,31,2,0,5,42,43,-12.047,-4.138,0,0.0,0.00016585799999999998,+,0.9261,-,0.9261,https://www.genome.jp/dbget-bin/www_bget?dr:D07378
5044,D07923, Etamiphylline hydrochloride, Xanthines,R03DA06,RESPIRATORY SYSTEM,n1(c(=O)n(c2c(c1=O)n(cn2)CC[NH+](CC)CC)C)C,280.346,-1.6416,80.2277,66.26,25,1,6,AWKLBIOQCIORSB-UHFFFAOYSA-O,C13H22N5O2+,CC[NH+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC,"InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3/p+1",-6.0215,-4.7419,-4.6044,-4.5496,-4.546,-4.5313,1.5116,1.5689,1.5793,1.5841,1.7758,D07923_R03DA06,800a0000000008c010004600004000080000040000000060000020c00000040004003002410080214000003000010080000000000000400000800800000080000c000c00800828000000400102900000000000400c90200ca000008000016006000000000080000080c00000400018000007014200000800001c80002a000000,0100000000f001,010040020400000000008000200000004042040000009900000000000000000000004640c03200,000000003000010001d436d99b6bbb4381f37cef1f,0,10,31,2,0,5,42,43,-12.047,-4.137,0,1.0,0.00016588,+,0.9261,-,0.9261,https://www.genome.jp/dbget-bin/www_bget?dr:D07923
5045,D07491, Bamifylline (INN), Xanthines,R03DA08,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc(n2CC[N@@H+](CC)CCO)Cc1ccccc1,386.468,-1.0784,110.84299999999999,86.49,32,2,7,VVUYEFBRTFASAH-UHFFFAOYSA-O,C20H28N5O3+,OCC[NH+](CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)CC,"InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3/p+1",-6.0322,-4.7432,-4.5953,-4.5377,-4.5361,-4.5332,1.5782,1.5783,1.5917,1.8049,2.8527,D07491_R03DA08,800e0060000008e012084600054004080000041000000060000220c00000040014047002410080234080003800010080000000000000400001800802004080108c000c08800c3a000000500102900800008880400c90200ce018089000016016001400040090000080c40800e00018040007015200051800001c80002a000000,0100001c00f001,031840020400000000008000200000004042040000009900000000000000000000004640c03204,000000003000210001d436dd9b7bbbc38df77fff1f,0,16,40,2,0,8,56,58,-11.63,-4.501,1,1.0,0.006601047,+,1.6629,-,1.6629,https://www.genome.jp/dbget-bin/www_bget?dr:D07491
5046,D03051, Bamifylline hydrochloride (USAN), Xanthines,R03DA08,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc(n2CC[N@@H+](CC)CCO)Cc1ccccc1,386.468,-1.0784,110.84299999999999,86.49,32,2,7,VVUYEFBRTFASAH-UHFFFAOYSA-O,C20H28N5O3+,OCC[NH+](CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)CC,"InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3/p+1",-6.0029,-4.8127,-4.5902,-4.5875,-4.5192,-4.5096,1.5526,1.5845,1.5971,1.8304,2.8432,D03051_R03DA08,800e0060000008e012084600054004080000041000000060000220c00000040014047002410080234080003800010080000000000000400001800802004080108c000c08800c3a000000500102900800008880400c90200ce018089000016016001400040090000080c40800e00018040007015200051800001c80002a000000,0100001c00f001,031840020400000000008000200000004042040000009900000000000000000000004640c03204,000000003000210001d436dd9b7bbbc38df77fff1f,0,16,40,2,0,8,56,58,-11.629000000000001,-4.5,1,,0.0048686120000000005,+,1.6629,-,1.6629,https://www.genome.jp/dbget-bin/www_bget?dr:D03051
5047,D07062, Acefylline piperazine (INN), Xanthines,R03DA09,RESPIRATORY SYSTEM,c1(=O)n(c(=O)c2c(n1C)ncn2CC(=O)O)C,238.2,-1.4817,58.6178,99.12,14,1,8,HCYFGRCYSCXKNQ-UHFFFAOYSA-N,C9H10N4O4,OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)",-4.7658,-4.5893,-4.5604,-4.4205,-3.1007,-3.0063,1.9673,1.9978,2.0095,2.3654,2.3844,D07062_R03DA09,80020000000008c000004600004000003000040000000060000020c0000004000600300441008023400a001000010080000000000000400000800840000080000c800c08800028000000400000900000002000400c80000ca000008000014006000000000080000000c10000400008000007010200001880001880002a000000,0400000c00b003,000000000000000000008800200000004042040000009900000000000000000000004640403800,000000003000000001d414d99b23914788ed3aff1f,0,10,15,3,0,2,27,28,-5.167999999999999,2.7230000000000003,0,-3.0,2.3171999999999996e-07,-,1.2288,-,1.2288,https://www.genome.jp/dbget-bin/www_bget?dr:D07062
5048,D02884, Ambuphylline (USAN), Xanthines,R03DA10,RESPIRATORY SYSTEM,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,180.16400000000002,-1.0397,47.1377,72.68,11,1,5,ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,Cn1c(=O)n(C)c2c(c1=O)[nH]cn2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",-4.7814,-4.5875,-3.0934,-3.0051,-2.9637,-1.7343,1.2785,1.4059,1.4822,1.4925,1.5139,D02884_R03DA10,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800000000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000006010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009d00000000000000000000004640401800,000000003000000001d414d91323914380e178ea1f,0,10,10,2,0,0,21,22,-9.417,-0.2,0,,0.0033720770000000002,-,0.8283,-,0.8283,https://www.genome.jp/dbget-bin/www_bget?dr:D02884
5049,D03898, Doxofylline (USAN/INN), Xanthines,R03DA11,RESPIRATORY SYSTEM,n1(c(=O)n(c2c(c1=O)n(cn2)CC1OCCO1)C)C,266.253,-1.1934,66.516,80.28,19,0,8,HWXIGFIVGWUZAO-UHFFFAOYSA-N,C11H14N4O4,Cn1c(=O)n(C)c2c(c1=O)n(cn2)CC1OCCO1,"InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3",-4.7796,-4.5891,-3.1396,-3.1372,-3.0922,-3.0097,1.4846,1.4956,1.4983,1.5111,1.9279,D03898_R03DA11,80020000000008c000004600004200003000042000020060000020c0000404000400300c4100802740000010000100800000000000004010008008000000a0000c802d00801028000000480000900000008000400c80000ca000008000016006000000000080000004c10000400008000007018200000880001880002a000000,00000000303001,000000000000804000008000200000004042040000009900000000000000000000004640403000,000000003000000181d414d91b33b1c789eb3eff1f,0,10,23,2,0,2,33,35,-9.25,-0.12300000000000001,0,,0.005474789,+,1.1783,-,1.1783,https://www.genome.jp/dbget-bin/www_bget?dr:D03898
5050,D00411, Zafirlukast (JAN/USAN/INN), Leukotriene receptor antagonists,R03DC01,RESPIRATORY SYSTEM,c12c(Cc3c(cc(cc3)C(=O)NS(=O)(=O)c3c(cccc3)C)OC)cn(c1ccc(c2)NC(=O)OC1CCCC1)C,575.675,7.2406,157.816,124.11,41,2,9,YEEZWCHGZNKEEK-UHFFFAOYSA-N,C31H33N3O6S,COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",-9.9482,-9.3759,-9.3324,-5.8741,-5.2596,-4.8254,2.4237,2.8094,2.9634,2.9926,3.8867,D00411_R03DC01,60070100004204a2030006a1808700008c000040800000c8061000e0002004021c80408a02208021188e0218000000c005624200000c68080800908280a087022c201c20c140308101815000028800800088016004203808c03818000403400000120081012000060800000000500c001007b141080108210808c04512000008,0400000070b001,030002000000000000008000000000000041000100008800000020000000000000004640403800,000040800100449e150595bd30ab316fdff9fffe1f,0,22,52,4,0,11,74,78,-8.443999999999999,-1.581,0,,0.9732820390000001,+,3.1981,-,3.1981,https://www.genome.jp/dbget-bin/www_bget?dr:D00411
5051,D08408, Pranlukast (INN), Leukotriene receptor antagonists,R03DC02,RESPIRATORY SYSTEM,c1(ccc(cc1)OCCCCc1ccccc1)C(=O)Nc1c2c(ccc1)c(=O)cc(o2)c1[nH]nnn1,481.50300000000004,4.7001,135.27,123.0,30,2,8,NBQKINXMPLXUET-UHFFFAOYSA-N,C27H23N5O4,O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1,"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)",-3.6377,-3.1384,-3.0879,-2.8881,-1.3427,-1.3273,0.7665,0.912,0.9245,1.1414,1.4101,D08408_R03DC02,0006000c000204840300860104a308008000148834002214000020a0000000081c40580000a001210886020800011640011002000000c00a00080042004084008c2408006100001188043000828d824000e000401400380840080840004900020812084200000402280000c202120a00000741001b0108601828200102400004,0400000050b001,0200020000000000000080000a000000400100000000b500000000000000000000004640403800,000000002000082131d004e91331b169df69c77f1f,0,28,33,2,0,10,59,63,-9.639,-1.5659999999999998,0,0.0,0.981687546,+,2.3822,-,2.3822,https://www.genome.jp/dbget-bin/www_bget?dr:D08408
5052,D02732, Pranlukast hydrate (JP17), Leukotriene receptor antagonists,R03DC02,RESPIRATORY SYSTEM,c1(ccc(cc1)OCCCCc1ccccc1)C(=O)Nc1c2c(ccc1)c(=O)cc(o2)c1[nH]nnn1,481.50300000000004,4.7001,135.27,123.0,30,2,8,NBQKINXMPLXUET-UHFFFAOYSA-N,C27H23N5O4,O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1,"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)",-3.5976,-3.1521,-3.0828,-2.8918,-1.3451,-1.2718,0.7462,0.9127,0.9211,1.1435,1.4039,D02732_R03DC02,0006000c000204840300860104a308008000148834002214000020a0000000081c40580000a001210886020800011640011002000000c00a00080042004084008c2408006100001188043000828d824000e000401400380840080840004900020812084200000402280000c202120a00000741001b0108601828200102400004,0400000050b001,0200020000000000000080000a000000400100000000b500000000000000000000004640403800,000000002000082131d004e91331b169df69c77f1f,0,28,33,2,0,10,59,63,-9.635,-1.564,0,-1.0,0.9816873070000001,+,2.3822,-,2.3822,https://www.genome.jp/dbget-bin/www_bget?dr:D02732
5053,D08229, Montelukast (INN), Leukotriene receptor antagonists,R03DC03,RESPIRATORY SYSTEM,C1(CC1)(CS[C@@H](c1cc(/C=C/c2nc3c(cc2)ccc(c3)Cl)ccc1)CCc1c(cccc1)C(C)(C)O)CC(=O)O,586.183,8.948,172.646,95.72,40,2,5,UCHDWCPVSPXUMX-TZIWLTJVSA-N,C35H36ClNO3S,OC(=O)CC1(CSC(c2cccc(c2)C=Cc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",-4.5706,-4.4372,-2.8882,-2.233,-2.0661,-1.8477,0.9237,0.925,0.9819,1.24,2.3892,D08229_R03DC03,00044301000004443200260004404000000200404820401001020082006004001000418000438021288b801800050060010000000000600008010002080400040c000e026200028000006441049801060098084004011008404808000009408409040008800000a00260000221000c00000e11100a6500008004000102800100,0400004c00b103,1b4801001000000000008800000000000000000000049000000000000000000000004640432804,00002000000000000302c104d68d20852d85b7df1f,0,23,56,2,0,12,77,81,-4.678,0.16699999999999998,1,1.0,0.9702332020000001,+,3.5305,-,3.5305,https://www.genome.jp/dbget-bin/www_bget?dr:D08229
5054,D00529, Montelukast sodium (JP17/USAN), Leukotriene receptor antagonists,R03DC03,RESPIRATORY SYSTEM,C1(CC1)(CS[C@@H](c1cc(/C=C/c2nc3c(cc2)ccc(c3)Cl)ccc1)CCc1c(cccc1)C(C)(C)O)CC(=O)O,586.183,8.948,172.646,95.72,40,2,5,UCHDWCPVSPXUMX-TZIWLTJVSA-N,C35H36ClNO3S,OC(=O)CC1(CSC(c2cccc(c2)C=Cc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",-4.5657,-4.5393,-2.9026,-2.2434,-2.0633,-1.9053,0.9609,1.0364,1.2416,1.3031,2.4429,D00529_R03DC03,00044301000004443200260004404000000200404820401001020082006004001000418000438021288b801800050060010000000000600008010002080400040c000e026200028000006441049801060098084004011008404808000009408409040008800000a00260000221000c00000e11100a6500008004000102800100,0400004c00b103,1b4801001000000000008800000000000000000000049000000000000000000000004640432804,00002000000000000302c104d68d20852d85b7df1f,0,23,56,2,0,12,77,81,-4.681,0.155,1,0.0,0.9702166320000001,+,3.4764,-,3.4764,https://www.genome.jp/dbget-bin/www_bget?dr:D00529
5055,D01385, Ibudilast (JP17/INN), Leukotriene receptor antagonists,R03DC04,RESPIRATORY SYSTEM,c1(c2ccccn2nc1C(C)C)C(=O)C(C)C,230.30599999999998,3.2964,69.5805,34.37,20,0,3,ZJVFLBOZORBYFE-UHFFFAOYSA-N,C14H18N2O,CC(C(=O)c1c(nn2c1cccc2)C(C)C)C,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",-4.534,-3.9559,-1.6342,-1.2159,-1.1211,-1.0835,0.4717,0.6156,0.7524,0.8823,1.3494,D01385_R03DC04,20440000000004800200020004000000000000000000120801000080002014001c006080404880204882020c000100c0410822000004600000000002000020000c20040000080000000860080288008000b000400480100840000c00000840000102000000200002028000400010040110028140804100200808804202000000,14000000003001,050000000000010000000000000000004003000000009800000000000000000000004640403801,0000000000000800018204a01301800b00b1b88a1f,0,10,25,1,0,3,35,36,-8.843,-0.486,0,1.0,0.07358910099999999,+,0.5608,-,0.5608,https://www.genome.jp/dbget-bin/www_bget?dr:D01385
5056,D07379, Eprozinol (INN), Other systemic drugs for obstructive airway diseases,R03DX02,RESPIRATORY SYSTEM,C1[N@@H+](CC[N@@H+](C1)CC[C@H](c1ccccc1)O)C[C@@H](c1ccccc1)OC,356.50199999999995,3.4196,114.838,38.34,34,3,2,QSRHLIUOSXVKTG-YADHBBJMSA-P,C22H32N2O2++,COC(c1ccccc1)C[NH+]1CC[NH+](CC1)CCC(c1ccccc1)O,"InChI=1S/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3/p+2/t21-,22+/m1/s1",-6.0115,-6.0097,-4.6264,-4.6227,-4.5429,-4.4767,1.8978,1.9883,2.2124,2.2972,2.3912,D07379_R03DX02,00060000000000400a0006000002000c0100001000000000002000800100000010004083a100001320002038000100000102000000008000000000020000001008000c020010100000200100020000000080004000003008c0080800800900000000002000000000004000008000000000060104000110000002000000000000,0100002c30f001,02a840020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000003100004432568b40a8a30d27cdf51f,0,12,48,0,0,8,58,60,-14.030999999999999,-8.099,2,0.0,1.5722399999999998e-06,-,0.8749,-,0.8749,https://www.genome.jp/dbget-bin/www_bget?dr:D07379
5057,D01123, Seratrodast (JAN/USAN/INN), Other systemic drugs for obstructive airway diseases,R03DX06,RESPIRATORY SYSTEM,C1(=C(C(=O)C(=C(C1=O)[C@@H](CCCCCC(=O)O)c1ccccc1)C)C)C,354.439,4.61,102.62299999999999,71.44,29,1,4,ZBVKEHDGYSLCCC-SFHVURJKSA-N,C22H26O4,OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccccc1,"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)/t18-/m0/s1",-4.5345,-4.428999999999999,-3.6239,-3.6196,-1.3345,-1.1154,0.8424,0.8515,0.9094,1.505,2.3598,D01123_R03DX06,00040000000002240200020002000000000000800040400000200084000820001008400000800001800a0008010100000108020008206100000010020000000008000800000400000000a00008800204009000400000100840089800000800010204000281000000000080000000080000020900020100000000000102000100,1400000c00b003,170000000000010000008800000000000001000000000000000000000000000000000240407804,000000000000020000080006840820c4895cb7d61e,0,6,42,5,0,8,52,53,-4.184,-0.175,1,0.0,0.002528753,-,2.4641,-,2.4641,https://www.genome.jp/dbget-bin/www_bget?dr:D01123
5058,D05744, Roflumilast (JAN/USAN/INN), Other systemic drugs for obstructive airway diseases,R03DX07,RESPIRATORY SYSTEM,c1(c(cc(cc1)C(=O)Nc1c(cncc1Cl)Cl)OCC1CC1)OC(F)F,403.207,5.1039,93.8642,60.45,19,1,5,MNDBXUUTURYVHR-UHFFFAOYSA-N,C17H14Cl2F2N2O3,FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F,"InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)",-3.5863,-3.5260000000000002,-3.4675,-3.4636,-3.0713,-2.8629,0.9772,1.1382,1.1637,1.334,1.4243,D05744_R03DX07,40020200000004800900060000030002800000c000802200000600800009000014804500084081210087060800001040010202000800680000000002000004000da00c2201400011800410010ac8800600c840400400280040080000000000000010000a028004020000000210100400000f2100094110200808004402800004,0400000050b001,0601020000000060000080000a0000000001000000049000000000000000000000000640403800,0000200000020000818040084236116171e1e77f1f,2,12,29,1,0,8,40,42,-9.752,-0.6409999999999999,0,1.0,0.852388203,-,1.1159999999999999,+,1.1159999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D05744
5059,D00337, Guaifenesin (JP17/USP/INN), Expectorants,R05CA03,RESPIRATORY SYSTEM,c1(c(cccc1)OC)OC[C@@H](CO)O,198.21599999999998,0.4272,51.3636,58.92,18,2,4,HSRJKNPTNIJEKV-MRVPVSSYSA-N,C10H14O4,OCC(COc1ccccc1OC)O,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1",-1.9232,-1.9051,-1.653,-1.1384,-1.1285,-1.1256,0.8124,0.8257,0.8305,0.8366,1.2464,D00337_R05CA03,40010000000000000800020000020000000080000000000000000000000000001000000a0000000500000008000000000000020000000001000000000000000008a00802010020010000000002408000008000400000000040080001000000000000000000000002000000020010000000022100080000200800000000000004,0000003c50b001,003802000001000000000000000000000000000000000000000000000000000000000200402004,000000000000200080000213801001600ccea2d51e,0,6,22,0,0,5,28,28,-8.988999999999999,0.46299999999999997,1,1.0,0.008349645,-,0.4463,-,0.4463,https://www.genome.jp/dbget-bin/www_bget?dr:D00337
5060,D04115, Eucalyptol (USAN), Expectorants,R05CA13,RESPIRATORY SYSTEM,[C@]12(OC([C@@H](CC1)CC2)(C)C)C,154.249,2.7441,47.117,9.23,19,0,1,WEEGYLXZBRQIMU-WAAGHKOSSA-N,C10H18O,CC12CCC(CC1)C(O2)(C)C,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+",-1.5652,-1.5641,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,D04115_R05CA13,0000000000000200000000000002000000000000000000000000000000040000100000000000000100000000200000000100000000204002000000000000800008100800000000000000800000000000008000400000000000000000000000000000000000000000000000000000088000010100000000000000000140000000,00000000302001,078000000000000000000000000000000000000000000000000000000000000000008400400004,00000000000000010202000002892c80091195901c,0,0,30,0,0,0,29,30,-10.008,2.655,0,,0.061934925999999994,-,0.836,-,0.836,https://www.genome.jp/dbget-bin/www_bget?dr:D04115
5061,D00221, Acetylcysteine (JP17/USP/INN), Mucolytics,R05CB01,RESPIRATORY SYSTEM,[C@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-SCSAIBSYSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1",-4.5712,-4.4067,-4.3642,-3.8259,-3.8253,-2.7406,1.8082,2.2241,2.3764,2.4501,2.4613,D00221_R05CB01,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.9719999999999995,4.349,1,0.0,,-,1.2849,-,1.2849,https://www.genome.jp/dbget-bin/www_bget?dr:D00221
5062,D00221, Acetylcysteine (JP17/USP/INN), Other ophthalmologicals,S01XA08,SENSORY ORGANS,[C@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-SCSAIBSYSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1",-4.5663,-4.4427,-4.3811,-3.8339,-3.8007,-2.7164,2.1009,2.2243,2.3775,2.3838,2.4143,D00221_S01XA08,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.9719999999999995,4.349,1,0.0,,-,1.2849,-,1.2849,https://www.genome.jp/dbget-bin/www_bget?dr:D00221
5063,D00221, Acetylcysteine (JP17/USP/INN), Antidotes,V03AB23,VARIOUS,[C@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-SCSAIBSYSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m1/s1",-4.5614,-4.4048,-4.361000000000001,-3.8411,-3.8011,-2.7877,2.0927,2.2243,2.3067,2.3733,2.4109,D00221_V03AB23,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.9719999999999995,4.349,1,0.0,,-,1.2849,-,1.2849,https://www.genome.jp/dbget-bin/www_bget?dr:D00221
5064,D07554, Acetylcysteine sodium salt, Mucolytics,R05CB01,RESPIRATORY SYSTEM,[C@@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-BYPYZUCNSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",-4.5611,-4.4045,-4.3274,-3.8252,-3.8112,-2.8043,1.7209999999999999,2.2347,2.366,2.4839,2.6177,D07554_R05CB01,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.968999999999999,4.351,1,0.0,,-,1.2755,-,1.2755,https://www.genome.jp/dbget-bin/www_bget?dr:D07554
5065,D07554, Acetylcysteine sodium salt, Other ophthalmologicals,S01XA08,SENSORY ORGANS,[C@@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-BYPYZUCNSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",-4.5454,-4.44,-4.3702,-3.8283,-3.8061,-2.7102,2.0412,2.211,2.386,2.4053,2.4168,D07554_S01XA08,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.968999999999999,4.351,1,0.0,,-,1.2755,-,1.2755,https://www.genome.jp/dbget-bin/www_bget?dr:D07554
5066,D07554, Acetylcysteine sodium salt, Antidotes,V03AB23,VARIOUS,[C@@H](NC(=O)C)(C(=O)O)CS,163.195,-0.1036,38.8515,105.2,13,3,5,PWKSKIMOESPYIA-BYPYZUCNSA-N,C5H9NO3S,SCC(C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",-4.586,-4.3988,-4.376,-3.8331,-3.8110000000000004,-2.7586,2.0575,2.2187,2.3867,2.4277,2.4412,D07554_V03AB23,00020103004000200100040000000000000000000000000000000000000000001800000400040003000e0000000000000001400000000000000000000000001008000800000000000000040002800002003000400000200000000002000000000000000000000000000000008000000000041000000000000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000030000000824a80681004840442ff09,0,0,16,2,0,4,19,18,-4.968999999999999,4.351,1,0.0,,-,1.2755,-,1.2755,https://www.genome.jp/dbget-bin/www_bget?dr:D07554
5067,D07542, Bromhexine (INN), Mucolytics,R05CB02,RESPIRATORY SYSTEM,c1(cc(c(c(c1)C[N@H+](C1CCCCC1)C)N)Br)Br,377.13800000000003,3.7224,86.9011,30.46,22,2,1,OJGDCBLYJGHCIH-UHFFFAOYSA-O,C14H21Br2N2+,Brc1cc(Br)c(c(c1)C[NH+](C1CCCCC1)C)N,"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3/p+1",-6.0336,-5.8053,-5.0528,-5.0287,-4.5803,-4.4856,1.5293,1.5706,1.8162,1.8796,2.0492,D07542_R05CB02,000200480800042000000600000100000000009000002200000000c000000000100050000000002010800018000000400102000000200002020000020000000000000000400502800000000012080000008001c004002010c0080000000000400010002a00000000000010000000000000060100000110000080002102400000,0100000000f021,0200400a0400000000000000000000000000000000100000000000000000000000000200c02204,000000000020110000807a16884c2c8275a06dad17,0,6,34,0,0,3,39,40,-12.190999999999999,-4.065,1,0.0,0.053057071,+,0.3607,-,0.3607,https://www.genome.jp/dbget-bin/www_bget?dr:D07542
5068,D01778, Bromhexine hydrochloride (JP17/USAN), Mucolytics,R05CB02,RESPIRATORY SYSTEM,c1(cc(c(c(c1)C[N@H+](C1CCCCC1)C)N)Br)Br,377.13800000000003,3.7224,86.9011,30.46,22,2,1,OJGDCBLYJGHCIH-UHFFFAOYSA-O,C14H21Br2N2+,Brc1cc(Br)c(c(c1)C[NH+](C1CCCCC1)C)N,"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3/p+1",-6.0107,-5.7892,-5.0364,-5.0264,-4.5714,-4.4975,1.534,1.569,1.8066,1.8744,2.0504,D01778_R05CB02,000200480800042000000600000100000000009000002200000000c000000000100050000000002010800018000000400102000000200002020000020000000000000000400502800000000012080000008001c004002010c0080000000000400010002a00000000000010000000000000060100000110000080002102400000,0100000000f021,0200400a0400000000000000000000000000000000100000000000000000000000000200c02204,000000000020110000807a16884c2c8275a06dad17,0,6,34,0,0,3,39,40,-12.207,-4.045,1,0.0,0.06705776599999999,+,0.3607,-,0.3607,https://www.genome.jp/dbget-bin/www_bget?dr:D01778
5069,D06393, Carbocysteine (USAN), Mucolytics,R05CB03,RESPIRATORY SYSTEM,OC(=O)CSC[C@@H](C(=O)O)[NH3+],180.202,-1.5007,41.2487,127.54,13,3,5,GBFLZEXEOZUWRN-VKHMYHEASA-O,C5H10NO4S+,OC(=O)CSCC(C(=O)O)[NH3+],"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p+1/t3-/m0/s1",-5.379,-5.3635,-5.3514,-4.5874,-4.5869,-4.5706,2.3426,2.3639,2.3853,2.5156,2.5208,D06393_R05CB03,00000107000000002000040000100000400000000000000010000000008201181000000000060003020a0000000000000000400000000000000000000000000408000800000000000000040000800100003000400010000000400000000000000000000000000000000000000000010000041000200002200000004000000000,0500000c00e102,0000c1001400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021000000a046804000048c0e427f09,0,0,18,2,0,5,21,20,-5.102,2.291,1,1.0,,-,1.0718,-,1.0718,https://www.genome.jp/dbget-bin/www_bget?dr:D06393
5070,D00175, L-Carbocisteine (JP17), Mucolytics,R05CB03,RESPIRATORY SYSTEM,OC(=O)CSC[C@@H](C(=O)O)[NH3+],180.202,-1.5007,41.2487,127.54,13,3,5,GBFLZEXEOZUWRN-VKHMYHEASA-O,C5H10NO4S+,OC(=O)CSCC(C(=O)O)[NH3+],"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p+1/t3-/m0/s1",-5.3753,-5.3686,-5.3423,-4.6008,-4.6002,-4.5925,2.3754,2.3759,2.3795,2.5132,2.5674,D00175_R05CB03,00000107000000002000040000100000400000000000000010000000008201181000000000060003020a0000000000000000400000000000000000000000000408000800000000000000040000800100003000400010000000400000000000000000000000000000000000000000010000041000200002200000004000000000,0500000c00e102,0000c1001400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021000000a046804000048c0e427f09,0,0,18,2,0,5,21,20,-5.102,2.291,1,1.0,,-,1.0718,-,1.0718,https://www.genome.jp/dbget-bin/www_bget?dr:D00175
5071,D07618, Carbocisteine sodium salt, Mucolytics,R05CB03,RESPIRATORY SYSTEM,OC(=O)CSC[C@@H](C(=O)O)[NH3+],180.202,-1.5007,41.2487,127.54,13,3,5,GBFLZEXEOZUWRN-VKHMYHEASA-O,C5H10NO4S+,OC(=O)CSCC(C(=O)O)[NH3+],"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p+1/t3-/m0/s1",-5.3751,-5.3658,-5.3636,-4.5954,-4.5629,-4.5592,2.3374,2.3674,2.3767,2.3773,2.6343,D07618_R05CB03,00000107000000002000040000100000400000000000000010000000008201181000000000060003020a0000000000000000400000000000000000000000000408000800000000000000040000800100003000400010000000400000000000000000000000000000000000000000010000041000200002200000004000000000,0500000c00e102,0000c1001400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021000000a046804000048c0e427f09,0,0,18,2,0,5,21,20,-5.098,2.289,1,0.0,,-,1.0549,-,1.0549,https://www.genome.jp/dbget-bin/www_bget?dr:D07618
5072,D07902, Eprazinone (INN), Mucolytics,R05CB04,RESPIRATORY SYSTEM,c1cccc(c1)C(=O)[C@@H](C[N@@H+]1CC[N@@H+](CC1)C[C@H](OCC)c1ccccc1)C,382.539,4.205,123.712,35.18,36,2,2,BSHWLCACYCVCJE-OFNKIYASSA-P,C24H34N2O2++,CCOC(c1ccccc1)C[NH+]1CC[NH+](CC1)CC(C(=O)c1ccccc1)C,"InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3/p+2/t20-,23+/m1/s1",-6.0119,-5.9724,-4.5934,-4.553,-4.5394,-4.5383,1.9537,2.3304,2.3552,2.532,2.5411,D07902_R05CB04,00060000000000c00a0006000002000c01000010000008000020008000140000140040832100001220022238000100000102000010000000000000020000001008000c020810100000200100028000080090004000003008c008080080090000000000200000000000400000900000000006018400011000000a000000000000,1500000030f001,058040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000002100004432448b58a6a30d23ddf71f,0,12,51,1,0,9,62,64,-14.579,-8.029,2,1.0,1.13218e-05,-,0.7916,-,0.7916,https://www.genome.jp/dbget-bin/www_bget?dr:D07902
5073,D01106, Eprazinone hydrochloride (JAN), Mucolytics,R05CB04,RESPIRATORY SYSTEM,c1cccc(c1)C(=O)[C@@H](C[N@@H+]1CC[N@@H+](CC1)C[C@H](OCC)c1ccccc1)C,382.539,4.205,123.712,35.18,36,2,2,BSHWLCACYCVCJE-OFNKIYASSA-P,C24H34N2O2++,CCOC(c1ccccc1)C[NH+]1CC[NH+](CC1)CC(C(=O)c1ccccc1)C,"InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3/p+2/t20-,23+/m1/s1",-6.0123,-5.9877,-4.586,-4.5582,-4.5361,-4.5209,2.1739,2.3319,2.3488,2.4119,2.6039,D01106_R05CB04,00060000000000c00a0006000002000c01000010000008000020008000140000140040832100001220022238000100000102000010000000000000020000001008000c020810100000200100028000080090004000003008c008080080090000000000200000000000400000900000000006018400011000000a000000000000,1500000030f001,058040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000002100004432448b58a6a30d23ddf71f,0,12,51,1,0,9,62,64,-14.577,-8.027000000000001,2,-2.0,1.13147e-05,-,0.7916,-,0.7916,https://www.genome.jp/dbget-bin/www_bget?dr:D01106
5074,D01459, Mesna (JAN/USAN/INN), Mucolytics,R05CB05,RESPIRATORY SYSTEM,S(=O)(=O)(CCS)O,142.197,0.8848,30.1928,101.55,9,2,4,ZNEWHQLOPFWXOF-UHFFFAOYSA-N,C2H6O3S2,SCCS(=O)(=O)O,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",-8.9396,-8.9342,-8.407,-1.9818,-1.8667,-1.5034,1.1707,1.6926,2.4006,2.582,2.6252,D01459_R05CB05,2000010004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000800200040000000000401000400020000000000000000000000002000000000000000000000000000000005000000000000000000400000000,0000000000a000,000000000800000000000000000000000000000000000000000022000000000000000000402800,00000000c080541a14018202a08220088e060e4508,0,0,10,2,0,2,13,12,-5.935,4.0,0,1.0,,+,1.0290000000000001,-,1.0290000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01459
5075,D01459, Mesna (JAN/USAN/INN), Detoxifying agents for antineoplastic treatment,V03AF01,VARIOUS,S(=O)(=O)(CCS)O,142.197,0.8848,30.1928,101.55,9,2,4,ZNEWHQLOPFWXOF-UHFFFAOYSA-N,C2H6O3S2,SCCS(=O)(=O)O,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",-8.9434,-8.9293,-8.4085,-1.9801,-1.8669,-1.5053,1.1709,1.6922,2.4004,2.5831,2.6242,D01459_V03AF01,2000010004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000800200040000000000401000400020000000000000000000000002000000000000000000000000000000005000000000000000000400000000,0000000000a000,000000000800000000000000000000000000000000000000000022000000000000000000402800,00000000c080541a14018202a08220088e060e4508,0,0,10,2,0,2,13,12,-5.935,4.0,0,1.0,,+,1.0290000000000001,-,1.0290000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01459
5076,D07442, Ambroxol (INN), Mucolytics,R05CB06,RESPIRATORY SYSTEM,c1(cc(c(c(c1)C[NH2+][C@@H]1CC[C@@H](CC1)O)N)Br)Br,379.111,2.7419,83.1616,62.86,21,3,2,JBDGDEWWOUBZPM-PHIMTYICSA-O,C13H19Br2N2O+,OC1CCC(CC1)[NH2+]Cc1cc(Br)cc(c1N)Br,"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/p+1/t10-,11+",-5.7186,-5.6545,-5.6377,-5.0319,-5.0239,-4.3841,1.8015,1.8249,2.0273,2.043,2.0623,D07442_R05CB06,000a00480800042000000600000100000000009000002200000000c000000000100050000000002110800018000000400102000000204002020000020000000008000800400502800000800012080000008001c004002010c0080000000000400010002a00000000000010000000180000060100000110000080002102400000,0100002c00f021,022840090400000000000000000000000000000000100000000000000000000000000200c02204,000000000020110000804a02884420c07de4e53d1f,0,6,32,0,0,3,37,38,-12.34,-4.122,0,-1.0,0.005652399000000001,+,0.2667,-,0.2667,https://www.genome.jp/dbget-bin/www_bget?dr:D07442
5077,D01479, Ambroxol hydrochloride (JAN), Mucolytics,R05CB06,RESPIRATORY SYSTEM,c1(cc(c(c(c1)C[NH2+][C@@H]1CC[C@@H](CC1)O)N)Br)Br,379.111,2.7419,83.1616,62.86,21,3,2,JBDGDEWWOUBZPM-PHIMTYICSA-O,C13H19Br2N2O+,OC1CCC(CC1)[NH2+]Cc1cc(Br)cc(c1N)Br,"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/p+1/t10-,11+",-5.7173,-5.6632,-5.6371,-5.0321,-5.0283,-4.3932,1.8036,1.8307,2.0352,2.0412,2.0665,D01479_R05CB06,000a00480800042000000600000100000000009000002200000000c000000000100050000000002110800018000000400102000000204002020000020000000008000800400502800000800012080000008001c004002010c0080000000000400010002a00000000000010000000180000060100000110000080002102400000,0100002c00f021,022840090400000000000000000000000000000000100000000000000000000000000200c02204,000000000020110000804a02884420c07de4e53d1f,0,6,32,0,0,3,37,38,-12.341,-4.122,0,,0.005650631,+,0.2667,-,0.2667,https://www.genome.jp/dbget-bin/www_bget?dr:D01479
5078,D08520, Sobrerol, Mucolytics,R05CB07,RESPIRATORY SYSTEM,[C@H]1(C(=CC[C@@H](C1)C(O)(C)C)C)O,170.24900000000002,1.4745,49.9576,40.46,20,2,2,OMDMTHRBGUBUCO-IUCAKERBSA-N,C10H18O2,CC1=CCC(CC1O)C(O)(C)C,"InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9-/m0/s1",-2.8716,-2.0603,-1.9141,-1.2169,-1.1006,-1.0665,0.8420000000000001,0.8509,0.8859,1.1253,1.2376,D08520_R05CB07,0000000000000224000000000000000000000080004040000004000000102000100000000080000100000000000000000120000010204000200000000000000008000800000400000000800000000200000000400000000008001000000000000204000800000000000000000000280000000000000000000000008100000000,0000006c00a001,176800000000000000000000000000000000000000000000000000000000000000000000402004,0000000000000200020a0006848008c00c54b0d01c,0,0,29,1,0,1,30,30,-9.562000000000001,1.173,2,-1.0,0.015570047,-,0.7328,-,0.7328,https://www.genome.jp/dbget-bin/www_bget?dr:D08520
5079,D03888, Domiodol (USAN), Mucolytics,R05CB08,RESPIRATORY SYSTEM,[C@H]1(O[C@@H](OC1)CI)CO,244.028,0.1552,40.3298,38.69,12,1,3,NEIPZWZQHXCYDV-CRCLSJGQSA-N,C5H9IO3,OCC1COC(O1)CI,"InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2/t4-,5+/m0/s1",-3.1431,-3.1406,-1.9196,-1.5822,-1.5701,-1.3984,0.9835,1.0015,1.0022,1.3037,1.9305,D03888_R05CB08,000000000000a000000000000002000020040024000000000000000000040004100000080000000500000000200010000000000000000001000000000000000008002800000000000000000200000000009400400000000020000001010020000000000000280000040000004000000000000100000000000000000000002000,0000001c30a001,001c00000000804000000000000000000000000000000000000000000000000000000400402004,000000040000000180000683001080842907825518,0,0,18,0,0,2,18,18,-10.525,-0.011000000000000001,2,,0.011508876999999999,+,0.2555,-,0.2555,https://www.genome.jp/dbget-bin/www_bget?dr:D03888
5080,D07380, Letosteine (INN), Mucolytics,R05CB09,RESPIRATORY SYSTEM,[C@H]1(SC[C@@H]([NH2+]1)C(=O)O)CCSCC(=O)OCC,280.384,1.3315,73.9882,130.81,23,2,6,IKOCLISPVJZJEA-SFYZADRCSA-O,C10H18NO4S2+,CCOC(=O)CSCCC1SCC([NH2+]1)C(=O)O,"InChI=1S/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)/p+1/t7-,8+/m1/s1",-6.5045,-5.6822,-5.6661,-4.8957,-4.5959,-4.4471,2.3325,2.3444,2.3627,2.4094,2.7216,D07380_R05CB09,00020107104000006000040000120000402000000000000010000000008600081000000400070403020a00100000004008024000000000000002000000000214080808001000088000000c800280010200b00440001020004040020a0000000000000000000220002000000080000100c0061000614016200000004200000000,0500000c30e107,030001001000000000009800000000000000000000000000000000000000000000000400c02a04,00000000084021000000adc28058a2a58d0f46ff19,0,0,33,2,0,8,35,35,-9.133,-1.2570000000000001,2,1.0,0.001145845,-,1.1362,-,1.1362,https://www.genome.jp/dbget-bin/www_bget?dr:D07380
5081,D07381, Stepronin (INN), Mucolytics,R05CB11,RESPIRATORY SYSTEM,c1(C(=O)S[C@@H](C(=O)NCC(=O)O)C)sccc1,273.329,1.6017,66.10600000000001,137.01,16,2,7,JNYSEDHQJCOWQU-ZCFIWIBFSA-N,C10H11NO4S2,OC(=O)CNC(=O)C(SC(=O)c1cccs1)C,"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)/t6-/m1/s1",-5.2705,-4.5663,-4.426,-4.3594,-3.8343,-3.7919,1.9809,2.2452,2.3714,2.4035,2.4643,D07381_R05CB11,0002c102004000a00100060000000008440400004040000000000004000004061c00401400020202820e005810002000001200000000004008014002000001150800080000280880000004401690000280320040000a200001400802000040000000000080000080000000008000010004061008082d10240049004042000100,0400000c00b103,0100000000000000000088020a000000000100000000c000000000000000000000000640402804,0000000008002000000087c8882810048c0d42ff1b,0,5,20,3,0,7,28,28,-4.822,0.804,1,-2.0,1.2078e-05,-,1.1928,-,1.1928,https://www.genome.jp/dbget-bin/www_bget?dr:D07381
5082,D01430, Tiopronin (JAN/INN), Mucolytics,R05CB12,RESPIRATORY SYSTEM,C[C@@H](C(=O)NCC(=O)O)S,163.195,-0.1036,38.8515,105.2,13,3,5,YTGJWQPHMWSCST-VKHMYHEASA-N,C5H9NO3S,CC(C(=O)NCC(=O)O)S,"InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1",-4.5528,-4.4239999999999995,-4.3294,-3.8296,-3.806,-2.7823,1.645,2.2432,2.3636,2.4543,2.5766,D01430_R05CB12,00020102004000200100040000000000400000000000000000000000000000001800000400000002000e0010000000000002000000000000000000000000001008000800000008800000040002800002003000400000200000000802000000000000000000000080000000008000000000041000000010000040000000000000,0400000c00a002,0100000008000000000088000a0000000000000000000000000000000000000000000000402804,00000000000020000000834c882810048c0442ff09,0,0,16,2,0,4,19,18,-4.8260000000000005,2.8489999999999998,1,0.0,,-,0.5106,-,0.5106,https://www.genome.jp/dbget-bin/www_bget?dr:D01430
5083,D07382, Neltenexine (INN), Mucolytics,R05CB14,RESPIRATORY SYSTEM,[C@H]1(CC[C@H](CC1)O)[NH2+]Cc1c(c(cc(c1)Br)Br)NC(=O)c1sccc1,489.245,3.9653,110.848,94.18,24,3,4,SSLHKNBKUBAHJY-HDJSIYSDSA-O,C18H21Br2N2O2S+,OC1CCC(CC1)[NH2+]Cc1cc(Br)cc(c1NC(=O)c1cccs1)Br,"InChI=1S/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)/p+1/t13-,14-",-5.7221,-5.6267,-5.6034,-4.6701,-4.3324,-4.0833,1.953,1.9603,2.0151,2.046,2.1126,D07382_R05CB14,000ac148080004a001000600008300008410009010002200020000c40000000214005410002001219086005800101040090280000020600a0a000003001005010800080040250280200090001288000080c001c044022810c0080020000001440010002a800000004000100000001c0800060100000110020088402542400100,0500002c00f001,0228400104000000000080000a000000000100000010c000000000000000000000000640c02a04,00000000082011000080cf8a886430c07de5e57f1f,0,11,36,1,0,6,46,48,-12.402999999999999,-4.11,0,0.0,0.517617285,+,0.6933,-,0.6933,https://www.genome.jp/dbget-bin/www_bget?dr:D07382
5084,D07383, Erdosteine (INN), Mucolytics,R05CB15,RESPIRATORY SYSTEM,N(C(=O)CSCC(=O)O)[C@@H]1CCSC1=O,249.30700000000002,0.3434,58.6115,134.07,17,2,7,QGFORSXNKQLDNO-RXMQYKEDSA-N,C8H11NO4S2,O=C(NC1CCSC1=O)CSCC(=O)O,"InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)/t5-/m1/s1",-4.5487,-4.4319999999999995,-4.3855,-4.3301,-3.8338,-3.8054,1.8172,1.9806,2.2093,2.3672,2.454,D07383_R05CB15,00020107004000202100040000000000400000000040000010000000000001301800000400030000020e001000020040010300002000000000000000001000040800080000000000000104000680010600310040001020004140020a000000800000000000000080000000000000010044041008000012200011004000000000,0400000c00a103,0200010010000000000088040a0000000000000000000000000000000000000000000400402804,00000000080000000000a5ce806030c49c4f667f19,0,0,23,3,0,6,26,26,-4.723,1.402,1,0.0,5.10279e-06,-,1.2804,-,1.2804,https://www.genome.jp/dbget-bin/www_bget?dr:D07383
5085,D07929, Ethylmorphine (BAN), Opium alkaloids and derivatives,R05DA01,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OCC)[N@H+](CC3)C)O,314.399,2.0433,92.5095,43.13,27,2,3,OGDVEMNWJVYAJL-LEPYJNQMSA-O,C19H24NO3+,CCOc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/p+1/t12-,13+,14-,18-,19-/m0/s1",-6.0435,-4.6075,-4.6051,-4.4957,-2.8592,-1.1902,1.4355,1.4671,1.5542,1.598,1.6059999999999999,D07929_R05DA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1f2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ed1afe305c7dffd1f,0,6,44,1,0,2,47,51,-11.765,-3.681,6,0.0,0.002229859,+,1.6084,-,1.6084,https://www.genome.jp/dbget-bin/www_bget?dr:D07929
5086,D07929, Ethylmorphine (BAN), Other ophthalmologicals,S01XA06,SENSORY ORGANS,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OCC)[N@H+](CC3)C)O,314.399,2.0433,92.5095,43.13,27,2,3,OGDVEMNWJVYAJL-LEPYJNQMSA-O,C19H24NO3+,CCOc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/p+1/t12-,13+,14-,18-,19-/m0/s1",-6.0443,-4.6062,-4.6001,-4.4993,-2.861,-1.1982,1.4363,1.4649,1.555,1.5956,1.6063,D07929_S01XA06,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1f2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ed1afe305c7dffd1f,0,6,44,1,0,2,47,51,-11.765,-3.681,6,0.0,0.002229859,+,1.6084,-,1.6084,https://www.genome.jp/dbget-bin/www_bget?dr:D07929
5087,D02205, Ethylmorphine hydrochloride hydrate (JP, Opium alkaloids and derivatives,R05DA01,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OCC)[N@H+](CC3)C)O,314.399,2.0433,92.5095,43.13,27,2,3,OGDVEMNWJVYAJL-LEPYJNQMSA-O,C19H24NO3+,CCOc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/p+1/t12-,13+,14-,18-,19-/m0/s1",-6.0427,-4.6072,-4.6047,-4.4974,-2.8634,-1.1859,1.4358,1.4664,1.5545,1.5979,1.6056,D02205_R05DA01,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1f2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ed1afe305c7dffd1f,0,6,44,1,0,2,47,51,-11.761,-3.68,6,0.0,0.0022286479999999997,+,1.6084,-,1.6084,https://www.genome.jp/dbget-bin/www_bget?dr:D02205
5088,D02205, Ethylmorphine hydrochloride hydrate (JP, Other ophthalmologicals,S01XA06,SENSORY ORGANS,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OCC)[N@H+](CC3)C)O,314.399,2.0433,92.5095,43.13,27,2,3,OGDVEMNWJVYAJL-LEPYJNQMSA-O,C19H24NO3+,CCOc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/p+1/t12-,13+,14-,18-,19-/m0/s1",-6.0437,-4.6073,-4.6038,-4.4975,-2.8603,-1.194,1.4358,1.4666,1.5548,1.5975,1.6058,D02205_S01XA06,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1f2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ed1afe305c7dffd1f,0,6,44,1,0,2,47,51,-11.761,-3.68,6,0.0,0.0022286479999999997,+,1.6084,-,1.6084,https://www.genome.jp/dbget-bin/www_bget?dr:D02205
5089,D08045, Hydrocodone (INN), Opium alkaloids and derivatives,R05DA03,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C,300.372,2.0854,87.2147,39.97,25,1,3,LLPOLZWFYMWNKH-CMKMFDCUSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1=O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m0/s1",-6.0482,-4.895,-4.7318,-4.6776,-2.9918,-1.2709,1.4249,1.4369999999999998,1.5552,1.6008,1.6029,D08045_R05DA03,402e0000000002000ac80600020300040000001008021200010000c000080000100450810040000110022018000100000102020008204806008000a20002800818a00c02210004118000a0201ac0800440d0815000003408c0180800800805004102002000000407020000c261101800000721000a0510200802004300100104,1500000050f001,0e0042020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000000101820436969ac9ade309c1dffb1f,0,6,41,1,0,1,44,48,-12.155999999999999,-3.946,5,1.0,7.09067e-05,+,1.6025,-,1.6025,https://www.genome.jp/dbget-bin/www_bget?dr:D08045
5090,D03725, Hydrocodone bitartrate (USP), Opium alkaloids and derivatives,R05DA03,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C,300.372,2.0854,87.2147,39.97,25,1,3,LLPOLZWFYMWNKH-CMKMFDCUSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1=O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m0/s1",-6.0479,-4.895,-4.7318,-4.6775,-2.9918,-1.2709,1.4249,1.4369,1.5552,1.6008,1.6029,D03725_R05DA03,402e0000000002000ac80600020300040000001008021200010000c000080000100450810040000110022018000100000102020008204806008000a20002800818a00c02210004118000a0201ac0800440d0815000003408c0180800800805004102002000000407020000c261101800000721000a0510200802004300100104,1500000050f001,0e0042020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000000101820436969ac9ade309c1dffb1f,0,6,41,1,0,1,44,48,-12.16,-3.946,5,,7.08194e-05,+,1.6025,-,1.6025,https://www.genome.jp/dbget-bin/www_bget?dr:D03725
5091,D08046, Hydrocodone hydrochloride, Opium alkaloids and derivatives,R05DA03,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2C(=O)CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C,300.372,2.0854,87.2147,39.97,25,1,3,LLPOLZWFYMWNKH-CMKMFDCUSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1=O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m0/s1",-6.0481,-4.8949,-4.732,-4.6774,-2.9921,-1.2711,1.4249,1.4368,1.5552,1.6007,1.6029,D08046_R05DA03,402e0000000002000ac80600020300040000001008021200010000c000080000100450810040000110022018000100000102020008204806008000a20002800818a00c02210004118000a0201ac0800440d0815000003408c0180800800805004102002000000407020000c261101800000721000a0510200802004300100104,1500000050f001,0e0042020400010000000000000000000000000000000000000000000000000000006600c02a05,0000000000000101820436969ac9ade309c1dffb1f,0,6,41,1,0,1,44,48,-12.152000000000001,-3.947,5,0.0,7.08823e-05,+,1.6025,-,1.6025,https://www.genome.jp/dbget-bin/www_bget?dr:D08046
5092,D00195, Codeine (USP), Opium alkaloids and derivatives,R05DA04,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,300.372,1.6532,87.7025,43.13,25,2,3,OROGSEYTTFOCAN-DNJOTXNNSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0444,-4.6089,-4.6079,-4.4987,-2.8606,-1.1793,1.4369,1.4666,1.5545,1.6012,1.6053,D00195_R05DA04,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1e2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ec1ade305c5dff91f,0,6,41,1,0,1,44,48,-11.901,-3.7030000000000003,6,0.0,0.001088224,+,1.6077,-,1.6077,https://www.genome.jp/dbget-bin/www_bget?dr:D00195
5093,D02101, Codeine phosphate (USP), Opium alkaloids and derivatives,R05DA04,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,300.372,1.6532,87.7025,43.13,25,2,3,OROGSEYTTFOCAN-DNJOTXNNSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0438,-4.6088,-4.6079,-4.4987,-2.8605,-1.1801,1.4368,1.4666,1.5544,1.601,1.6054,D02101_R05DA04,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1e2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ec1ade305c5dff91f,0,6,41,1,0,1,44,48,-11.895999999999999,-3.702,6,2.0,0.0010880999999999998,+,1.6077,-,1.6077,https://www.genome.jp/dbget-bin/www_bget?dr:D02101
5094,D03580, Codeine sulfate (USP), Opium alkaloids and derivatives,R05DA04,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,300.372,1.6532,87.7025,43.13,25,2,3,OROGSEYTTFOCAN-DNJOTXNNSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0441,-4.6107,-4.6077,-4.4991,-2.8614,-1.1752,1.4371,1.4668,1.5545,1.6021,1.605,D03580_R05DA04,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1e2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ec1ade305c5dff91f,0,6,41,1,0,1,44,48,-11.899000000000001,-3.702,6,-4.0,0.001087649,+,1.6077,-,1.6077,https://www.genome.jp/dbget-bin/www_bget?dr:D03580
5095,D07740, Codeine hydrochloride, Opium alkaloids and derivatives,R05DA04,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)O,300.372,1.6532,87.7025,43.13,25,2,3,OROGSEYTTFOCAN-DNJOTXNNSA-O,C18H22NO3+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1O)C,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1",-6.0436,-4.6123,-4.6078,-4.4995,-2.8623,-1.171,1.4373,1.4669,1.5546,1.6029,1.6048,D07740_R05DA04,402f0100000002240acc0700020300040000809000425204012400c0001020001004548940e00005100020180001000001a2020010204904608000220002800818a00c02250424118000a021024082004080815100033008ca181800900800004306003800100c02020000c261101800000731800a0d1020080200cb00100004,0100002c50f001,1e2842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436949ec1ade305c5dff91f,0,6,41,1,0,1,44,48,-11.907,-3.7039999999999997,6,1.0,0.001088131,+,1.5892,-,1.5892,https://www.genome.jp/dbget-bin/www_bget?dr:D07740
5096,D07384, Normethadone (INN), Opium alkaloids and derivatives,R05DA06,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)(CC[NH+](C)C)C(=O)CC,296.427,2.4864,93.7807,21.51,27,1,1,WCJFBSYALHQBSK-UHFFFAOYSA-O,C20H26NO+,CCC(=O)C(c1ccccc1)(c1ccccc1)CC[NH+](C)C,"InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3/p+1",-6.0374,-4.6134,-4.5717,-4.4709,-2.9214,-1.3771,1.435,1.4885,1.5563,1.5795,1.5844,D07384_R05DA06,00068000002000000a000600800000000000005000000000000000a0000000001000500000000000100200180001000001000000002000000000000200000000000004000000004000002000008000050090014000003008c0080800000800000000000100000000000000000000000000060100020110000002000100000200,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000000200c02a01,00000000000001000202321088c82e820910dda71f,0,12,36,1,0,7,48,49,-12.636,-3.5789999999999997,0,1.0,0.025949931000000002,+,0.4166,-,0.4166,https://www.genome.jp/dbget-bin/www_bget?dr:D07384
5097,D01036, Noscapine (JP17/USP/INN), Opium alkaloids and derivatives,R05DA07,RESPIRATORY SYSTEM,[C@H]1(c2c(C(=O)O1)c(c(cc2)OC)OC)[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C,414.42800000000005,3.0339,110.839,76.89,31,1,7,AKNNEGZIBPJZJG-MSOLQXFVSA-O,C22H24NO7+,COc1ccc2c(c1OC)C(=O)OC2C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/p+1/t17-,18+/m1/s1",-6.0362,-5.7815,-4.6479,-4.6072,-4.3207,-2.8481,1.7602,1.8202,1.8394,1.8838,2.0494,D01036_R05DA07,00270102004004e40a08060000830405010000a000087a00012200c0002400401484448100404013608b3238200fc700010a02000000080424020002000a065808a028220d540c010000212082c8000040898040001030484818180080092000419e00020000044202c102c8f111000000068190080711200808004e09000000,0500000070f005,02004202040080400000a000000000004001000000000000000000000000000000004640c03204,0000000800000121800436d59b51ad6700dbfffb1f,0,12,45,1,0,4,54,58,-11.796,-3.7110000000000003,3,0.0,0.059243977,+,2.763,-,2.763,https://www.genome.jp/dbget-bin/www_bget?dr:D01036
5098,D02172, Noscapine hydrochloride hydrate (JP17), Opium alkaloids and derivatives,R05DA07,RESPIRATORY SYSTEM,[C@H]1(c2c(C(=O)O1)c(c(cc2)OC)OC)[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C,414.42800000000005,3.0339,110.839,76.89,31,1,7,AKNNEGZIBPJZJG-MSOLQXFVSA-O,C22H24NO7+,COc1ccc2c(c1OC)C(=O)OC2C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/p+1/t17-,18+/m1/s1",-6.0281,-5.8022,-4.6482,-4.605,-4.2765,-2.8463,1.7858,1.8238,1.841,1.8609,2.0584,D02172_R05DA07,00270102004004e40a08060000830405010000a000087a00012200c0002400401484448100404013608b3238200fc700010a02000000080424020002000a065808a028220d540c010000212082c8000040898040001030484818180080092000419e00020000044202c102c8f111000000068190080711200808004e09000000,0500000070f005,02004202040080400000a000000000004001000000000000000000000000000000004640c03204,0000000800000121800436d59b51ad6700dbfffb1f,0,12,45,1,0,4,54,58,-11.954,-3.773,3,,0.055350889,+,2.763,-,2.763,https://www.genome.jp/dbget-bin/www_bget?dr:D02172
5099,D07385, Pholcodine (INN), Opium alkaloids and derivatives,R05DA08,RESPIRATORY SYSTEM,c1(c2c3c(cc1)C[C@@H]1[C@H]4[C@@]3([C@H]([C@H](C=C4)O)O2)CC[N@H+]1C)OCC[NH+]1CCOCC1,400.51099999999997,1.5077,118.48200000000001,56.8,36,3,4,GPFAJKDEDBRFOS-FKQDBXSBSA-P,C23H32N2O4++,OC1C=CC2C34C1Oc1c4c(CC2[NH+](CC3)C)ccc1OCC[NH+]1CCOCC1,"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/p+2/t16-,17+,18-,22-,23-/m0/s1",-6.0317,-6.024,-4.6448,-4.607,-4.5586,-4.5574,1.6041,1.615,1.636,1.6586,1.7196,D07385_R05DA08,c02f0100000002240acc0700020300040100809000425204012400c0001420001004548940e00017100024180001000001a2020010204904608000220002801818a10c022d1424118000a021024082004080815100033008ca181800900800004306003800100c02020000c2e1101800020731800a0d1020080200cb00300004,0100002c70f001,1ea842020400000000000000000000000000000000000000000000000000000000006600c32204,0000000000000101820436d49ed1ade30defcffd1f,0,6,59,1,0,4,61,66,-14.614,-5.9079999999999995,6,2.0,1.92803e-05,+,2.3040000000000003,-,2.3040000000000003,https://www.genome.jp/dbget-bin/www_bget?dr:D07385
5100,D03742, Dextromethorphan (USP), Opium alkaloids and derivatives,R05DA09,RESPIRATORY SYSTEM,[C@@]123c4c(C[C@@H]([C@H]1CCCC3)[N@H+](CC2)C)ccc(c4)OC,272.405,3.5355,87.4437,13.67,27,1,1,MKXZASYAUGDDCJ-NJAFHUGGSA-O,C18H26NO+,COc1ccc2c(c1)C13CCCCC3C(C2)[NH+](CC1)C,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/p+1/t15-,17+,18+/m1/s1",-6.0507,-4.865,-4.7126,-4.6759,-1.0276,-0.7657,1.4266,1.4342,1.5604,1.6019999999999999,1.6037,D03742_R05DA09,00260000000002000a00060002020004000000100000120001000080000000001000508100400000100020180001000001020200002008020000000200020000080004022100000100002020020000000080815000003008c00808008008000001000020000004020200004020100000000601000a0110200802004300000000,0100000050f001,0e0042020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000100020432169ac92de301c1ddb91f,0,6,43,0,0,1,46,49,-12.386,-3.67,4,,0.000352793,-,1.1867,-,1.1867,https://www.genome.jp/dbget-bin/www_bget?dr:D03742
5101,D00848, Dextromethorphan hydrobromide (USP), Opium alkaloids and derivatives,R05DA09,RESPIRATORY SYSTEM,C1CCC[C@H]2[C@@]31c1c(C[C@@H]2[N@@H+](CC3)C)ccc(c1)OC,272.405,3.5355,87.4437,13.67,27,1,1,MKXZASYAUGDDCJ-NJAFHUGGSA-O,C18H26NO+,COc1ccc2c(c1)C13CCCCC3C(C2)[NH+](CC1)C,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/p+1/t15-,17+,18+/m1/s1",-6.0503,-4.8647,-4.7127,-4.676,-1.0275,-0.7657,1.4266,1.4342,1.5603,1.6019999999999999,1.6036,D00848_R05DA09,00260000000002000a00060002020004000000100000120001000080000000001000508100400000100020180001000001020200002008020000000200020000080004022100000100002020020000000080815000003008c00808008008000001000020000004020200004020100000000601000a0110200802004300000000,0100000050f001,0e0042020400000000000000000000000000000000000000000000000000000000006600c02204,0000000000000100020432169ac92de301c1ddb91f,0,6,43,0,0,1,46,49,-12.025,-3.634,4,,0.014751978999999998,-,1.1867,-,1.1867,https://www.genome.jp/dbget-bin/www_bget?dr:D00848
5102,D07386, Thebacon (INN), Opium alkaloids and derivatives,R05DA10,RESPIRATORY SYSTEM,c1(c2c3c(cc1)C[C@@H]1[C@H]4[C@@]3([C@H]([C@@H](C=C4)OC(=O)C)O2)CC[N@H+]1C)OC,342.409,2.224,97.4397,49.2,28,1,4,MFXFQKMUCYHPFQ-ZLOUOWRTSA-O,C20H24NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1OC(=O)C)C,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/p+1/t13-,14+,16+,19-,20-/m0/s1",-6.0331,-4.6168,-4.6149,-4.5299,-4.4248,-2.9959,1.4643,1.5381,1.5767,1.5908,1.6049,D07386_R05DA10,502f8100000002240acc0700020300042000809000425204012400c0001420001004548940e00005100a20182001000001a2020012204924608000220002820818b00c02250424118000a02102c082004080815100033048ca181800902800004306003800100c02020800c261101800000731800a0d1020080200cb00100004,0500000070f005,1f0042020400000000009000000000000000000000000000000000000000000000006600c32a05,0000000000000101820436949ec1ade701d9dffb1f,0,6,45,2,0,3,49,53,-11.809000000000001,-3.8760000000000003,6,0.0,0.003380702,+,1.7735,-,1.7735,https://www.genome.jp/dbget-bin/www_bget?dr:D07386
5103,D08579, Thebacon hydrochloride, Opium alkaloids and derivatives,R05DA10,RESPIRATORY SYSTEM,c1(c2c3c(cc1)C[C@@H]1[C@H]4[C@@]3([C@H]([C@@H](C=C4)OC(=O)C)O2)CC[N@H+]1C)OC,342.409,2.224,97.4397,49.2,28,1,4,MFXFQKMUCYHPFQ-ZLOUOWRTSA-O,C20H24NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4C=CC1OC(=O)C)C,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/p+1/t13-,14+,16+,19-,20-/m0/s1",-6.0405,-4.6227,-4.6218,-4.5059,-4.399,-3.0032,1.5337,1.5558,1.6039,1.6121,1.6315,D08579_R05DA10,502f8100000002240acc0700020300042000809000425204012400c0001420001004548940e00005100a20182001000001a2020012204924608000220002820818b00c02250424118000a02102c082004080815100033048ca181800902800004306003800100c02020800c261101800000731800a0d1020080200cb00100004,0500000070f005,1f0042020400000000009000000000000000000000000000000000000000000000006600c32a05,0000000000000101820436949ec1ade701d9dffb1f,0,6,45,2,0,3,49,53,-11.722999999999999,-3.752,6,-1.0,0.002897437,+,1.7735,-,1.7735,https://www.genome.jp/dbget-bin/www_bget?dr:D08579
5104,D07848, Dimemorfan (INN), Opium alkaloids and derivatives,R05DA11,RESPIRATORY SYSTEM,[C@@]123c4c(C[C@H]([C@H]1CCCC2)[N@H+](CC3)C)ccc(c4)C,256.406,3.8353,85.9177,4.44,26,1,0,KBEZZLAAKIIPFK-KBAYOESNSA-O,C18H26N+,Cc1ccc2c(c1)C13CCCCC3C(C2)[NH+](CC1)C,"InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/p+1/t15-,17-,18-/m1/s1",-6.1221,-4.8337,-4.7686,-4.7346,-0.7358,-0.6873,1.3878,1.4041,1.5666,1.7083,1.723,D07848_R05DA11,00260000000002000a0006000200000400000010000000000100008000000000100050810040000110002018000100000102000000200002000000020002000008000c022000000000002000020000000088815000003008c0080800800900000100002000000000020000002100000000060100020110000002000100000000,0100000000f001,0f0040020400000000000000000000000000000000000000000000000000000000006600c00204,0000000000000100020432169ac92c8301815da917,0,6,42,0,0,0,45,48,-12.55,-3.6430000000000002,4,1.0,0.029025312999999997,+,1.3044,-,1.3044,https://www.genome.jp/dbget-bin/www_bget?dr:D07848
5105,D01506, Dimemorfan phosphate (JP17), Opium alkaloids and derivatives,R05DA11,RESPIRATORY SYSTEM,[C@@]123c4c(C[C@H]([C@H]1CCCC2)[N@H+](CC3)C)ccc(c4)C,256.406,3.8353,85.9177,4.44,26,1,0,KBEZZLAAKIIPFK-KBAYOESNSA-O,C18H26N+,Cc1ccc2c(c1)C13CCCCC3C(C2)[NH+](CC1)C,"InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/p+1/t15-,17-,18-/m1/s1",-6.1221,-4.8337,-4.7686,-4.7346,-0.7358,-0.6873,1.3878,1.4041,1.5666,1.7083,1.723,D01506_R05DA11,00260000000002000a0006000200000400000010000000000100008000000000100050810040000110002018000100000102000000200002000000020002000008000c022000000000002000020000000088815000003008c0080800800900000100002000000000020000002100000000060100020110000002000100000000,0100000000f001,0f0040020400000000000000000000000000000000000000000000000000000000006600c00204,0000000000000100020432169ac92c8301815da917,0,6,42,0,0,0,45,48,-12.534,-3.637,4,1.0,0.028572727000000003,+,1.3044,-,1.3044,https://www.genome.jp/dbget-bin/www_bget?dr:D01506
5106,D07557, O-Acetyldihydrocodeine hydrochloride, Opium alkaloids and derivatives,R05DA12,RESPIRATORY SYSTEM,[C@@]123c4c5O[C@H]2[C@H](CC[C@H]1[C@@H](Cc4ccc5OC)[N@H+](CC3)C)OC(=O)C,344.425,2.448,97.9137,49.2,30,1,4,LGGDXXJAGWBUSL-BKRJIHRRSA-O,C20H26NO4+,COc1ccc2c3c1OC1C43CC[NH+](C(C2)C4CCC1OC(=O)C)C,"InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/p+1/t13-,14+,16-,19-,20-/m0/s1",-6.0521,-4.8961,-4.7301,-4.6815,-4.4036,-2.9901,1.4402,1.5339,1.5619,1.5939,1.6014,D07557_R05DA12,402f0000000002000ac80700020300042000801000021200010000c0000400001004508940400005100a2018200100000102020002204806008000220002820818b00c02210024118000a02102c080004080815000003008c0180800902800004102002000100402020000c261101800000721000a0510200802004300100004,0500000070f005,0f0042020400000000009000000000000000000000000000000000000000000000006600c02a05,0000000000000101820436969ac9ade709d9dffb1f,0,6,48,1,0,3,51,55,-11.652999999999999,-3.766,6,-1.0,0.0072858490000000005,+,1.7990000000000002,-,1.7990000000000002,https://www.genome.jp/dbget-bin/www_bget?dr:D07557
5107,D00242, Benzonatate (USP/INN), Other cough suppressants,R05DB01,RESPIRATORY SYSTEM,c1c(ccc(c1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NCCCC,603.742,2.9076,157.739,121.4,65,1,12,MAFMQEKGGFWBAB-UHFFFAOYSA-N,C30H53NO11,COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",-4.8919,-4.1295,-3.1501,-2.9206,-1.5956,-1.5906,1.4112,1.4929,1.4958,1.5119,1.5258,D00242_R05DB01,00020000000000c00000060000820000a00000100000080000200080000400001400400800000024200a0218000010400100000000000008000000020000060008000a024000020000800100008000000080004004002000c0080000002100004000000000000000006000001000002000060980080510800008000002400000,0400000030b025,038040800000000000009000000000000001000000000000000000000000000000000240402000,00000000000000008000221288502ea4590a56ff1f,0,6,88,1,0,33,95,95,-8.861,-0.037000000000000005,0,0.0,0.910101235,+,7.1018,-,7.1018,https://www.genome.jp/dbget-bin/www_bget?dr:D00242
5108,D07512, Benproperine (INN), Other cough suppressants,R05DB02,RESPIRATORY SYSTEM,c1cccc(c1)Cc1ccccc1OC[C@@H]([NH+]1CCCCC1)C,310.453,4.6827,101.696,13.67,29,1,1,JTUQXGZRVLWBCR-SFHVURJKSA-O,C21H28NO+,CC([NH+]1CCCCC1)COc1ccccc1Cc1ccccc1,"InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/p+1/t18-/m0/s1",-6.0159,-4.5839,-4.5643,-4.4829,-1.5032,-1.0767,1.4339,1.4417,1.5782,1.5825,1.5828,D07512_R05DB02,000600000000000202000600800300000100005000000000000000e0000000001000500200000013000004180000000001020200000000000080022200000010082008000110080100000000020080000080015000002008c0080800000000000002002100000002000000828010000002060100080110200800000100200004,0100000050f001,030042020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000432468a582de301c3edbd1f,0,12,41,0,0,6,51,53,-11.523,-3.944,1,-1.0,0.16073288,+,0.7066,-,0.7066,https://www.genome.jp/dbget-bin/www_bget?dr:D07512
5109,D01427, Benproperine phosphate (JAN), Other cough suppressants,R05DB02,RESPIRATORY SYSTEM,c1cccc(c1)Cc1ccccc1OC[C@@H]([NH+]1CCCCC1)C,310.453,4.6827,101.696,13.67,29,1,1,JTUQXGZRVLWBCR-SFHVURJKSA-O,C21H28NO+,CC([NH+]1CCCCC1)COc1ccccc1Cc1ccccc1,"InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/p+1/t18-/m0/s1",-6.0379,-4.5956,-4.561,-4.4777,-1.4769,-1.0752,1.4228,1.4505,1.5768,1.5875,1.5930000000000002,D01427_R05DB02,000600000000000202000600800300000100005000000000000000e0000000001000500200000013000004180000000001020200000000000080022200000010082008000110080100000000020080000080015000002008c0080800000000000002002100000002000000828010000002060100080110200800000100200004,0100000050f001,030042020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000432468a582de301c3edbd1f,0,12,41,0,0,6,51,53,-11.568,-3.965,1,0.0,0.165399551,+,0.7066,-,0.7066,https://www.genome.jp/dbget-bin/www_bget?dr:D01427
5110,D07716, Clobutinol (INN), Other cough suppressants,R05DB03,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@]([C@@H](C[NH+](C)C)C)(O)C)Cl,256.79200000000003,1.4141,75.4205,24.67,24,2,1,KVHHQGIIZCJATJ-BXUZGUMPSA-O,C14H23ClNO+,CC(C(Cc1ccc(cc1)Cl)(O)C)C[NH+](C)C,"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3/p+1/t11-,14-/m1/s1",-6.0122,-4.6147,-4.6038,-4.5814,-2.1509,-1.9024,1.4661,1.4756,1.5599,1.5862,1.6109,D07716_R05DB03,00060200000000000200060000000000000000100000040000000080002000001000500080000001000100180001000001000000000080000000000200000008080008000000040000002000240000020088014000003008c0080800000810000000000000000000000000004000000000060100020110000000000100800000,0100004c00f001,074840020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000110002027216c9840c022d14d8b51f,0,6,34,0,0,5,40,40,-11.859000000000002,-4.187,2,1.0,0.003732516,-,0.509,-,0.509,https://www.genome.jp/dbget-bin/www_bget?dr:D07716
5111,D01608, Clobutinol Hydrochloride (JAN), Other cough suppressants,R05DB03,RESPIRATORY SYSTEM,c1c(ccc(c1)C[C@]([C@@H](C[NH+](C)C)C)(O)C)Cl,256.79200000000003,1.4141,75.4205,24.67,24,2,1,KVHHQGIIZCJATJ-BXUZGUMPSA-O,C14H23ClNO+,CC(C(Cc1ccc(cc1)Cl)(O)C)C[NH+](C)C,"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3/p+1/t11-,14-/m1/s1",-6.0276,-4.6333,-4.6132,-4.6043,-2.1224,-1.9038,1.4629,1.4723,1.5696,1.5994,1.6148,D01608_R05DB03,00060200000000000200060000000000000000100000040000000080002000001000500080000001000100180001000001000000000080000000000200000008080008000000040000002000240000020088014000003008c0080800000810000000000000000000000000004000000000060100020110000000000100800000,0100004c00f001,074840020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000110002027216c9840c022d14d8b51f,0,6,34,0,0,5,40,40,-11.857999999999999,-4.187,2,,0.003732623,-,0.509,-,0.509,https://www.genome.jp/dbget-bin/www_bget?dr:D01608
5112,D08088, Isoaminile (INN), Other cough suppressants,R05DB04,RESPIRATORY SYSTEM,C([C@@](c1ccccc1)(C#N)C[C@H]([NH+](C)C)C)(C)C,245.38299999999998,2.0270799999999998,78.4567,28.23,26,1,1,WFLSCFISQHLEED-ZBFHGGJFSA-O,C16H25N2+,CC(C(c1ccccc1)(C#N)CC([NH+](C)C)C)C,"InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3/p+1/t14-,16+/m1/s1",-6.0407,-4.6001,-4.5691,-4.4349,-2.4957,-1.169,1.4053,1.4774,1.4854,1.5551,1.5843,D08088_R05DB04,80060000000000000a00060000000000000000100000000000000080000000001000500000048000000000180001000001000000002000000000000200004000040004000000000000002000000000000080014000003008c00808000008000000200000000000000000000000000000000e0100020110000002000100000000,0100000000f011,0f0040020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101000202301080c00c02003058ac17,0,6,36,0,1,5,43,43,-12.805,-4.086,2,0.0,0.002369012,+,0.7025,-,0.7025,https://www.genome.jp/dbget-bin/www_bget?dr:D08088
5113,D01490, Isoaminile citrate (JAN), Other cough suppressants,R05DB04,RESPIRATORY SYSTEM,C([C@@](c1ccccc1)(C#N)C[C@H]([NH+](C)C)C)(C)C,245.38299999999998,2.0270799999999998,78.4567,28.23,26,1,1,WFLSCFISQHLEED-ZBFHGGJFSA-O,C16H25N2+,CC(C(c1ccccc1)(C#N)CC([NH+](C)C)C)C,"InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3/p+1/t14-,16+/m1/s1",-6.0263,-4.578,-4.5702,-4.5308,-2.4888,-1.6242,1.4259,1.4902,1.5488,1.5797,1.5924,D01490_R05DB04,80060000000000000a00060000000000000000100000000000000080000000001000500000048000000000180001000001000000002000000000000200004000040004000000000000002000000000000080014000003008c00808000008000000200000000000000000000000000000000e0100020110000002000100000000,0100000000f011,0f0040020400000000000000000000001000000000000000000000000000000000000200c02204,00000000000101000202301080c00c02003058ac17,0,6,36,0,1,5,43,43,-12.806,-4.087,2,0.0,0.002370298,+,0.7025,-,0.7025,https://www.genome.jp/dbget-bin/www_bget?dr:D01490
5114,D08334, Pentoxyverine (INN), Other cough suppressants,R05DB05,RESPIRATORY SYSTEM,c1c(cccc1)C1(C(=O)OCCOCC[NH+](CC)CC)CCCC1,334.473,1.9829,98.1917,39.97,35,1,3,CFJMRBQWBDQYMK-UHFFFAOYSA-O,C20H32NO3+,CC[NH+](CCOCCOC(=O)C1(CCCC1)c1ccccc1)CC,"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3/p+1",-6.042000000000001,-4.5594,-4.5485,-4.5458,-4.4308,-3.0179,1.4521,1.5656,1.5719999999999998,1.5768,1.5924,D08334_R05DB05,00060000002000000200060102020000210000000000000000000080000400001000400800000017000a0008200101000100000000204004000000020000821808900900081004400000a0000a80000500900040000030084008080000280000400000000000000000000000c0000800000701800a0500000000000100000100,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000200c02200,0000000000000120820032c488d82aa609025ef71f,0,6,50,1,0,11,56,57,-11.774000000000001,-4.101,0,-1.0,0.040776514,+,0.6621,-,0.6621,https://www.genome.jp/dbget-bin/www_bget?dr:D08334
5115,D01260, Pentoxyverine citrate (JP17), Other cough suppressants,R05DB05,RESPIRATORY SYSTEM,c1c(cccc1)C1(C(=O)OCCOCC[NH+](CC)CC)CCCC1,334.473,1.9829,98.1917,39.97,35,1,3,CFJMRBQWBDQYMK-UHFFFAOYSA-O,C20H32NO3+,CC[NH+](CCOCCOC(=O)C1(CCCC1)c1ccccc1)CC,"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3/p+1",-6.0175,-4.5573,-4.5512,-4.5405,-4.4568,-2.9678,1.4496,1.5586,1.569,1.5831,1.5909,D01260_R05DB05,00060000002000000200060102020000210000000000000000000080000400001000400800000017000a0008200101000100000000204004000000020000821808900900081004400000a0000a80000500900040000030084008080000280000400000000000000000000000c0000800000701800a0500000000000100000100,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000200c02200,0000000000000120820032c488d82aa609025ef71f,0,6,50,1,0,11,56,57,-11.777999999999999,-4.101,0,,0.040710472000000004,+,0.6621,-,0.6621,https://www.genome.jp/dbget-bin/www_bget?dr:D01260
5116,D08335, Pentoxyverine hydrochloride, Other cough suppressants,R05DB05,RESPIRATORY SYSTEM,c1c(cccc1)C1(C(=O)OCCOCC[NH+](CC)CC)CCCC1,334.473,1.9829,98.1917,39.97,35,1,3,CFJMRBQWBDQYMK-UHFFFAOYSA-O,C20H32NO3+,CC[NH+](CCOCCOC(=O)C1(CCCC1)c1ccccc1)CC,"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3/p+1",-6.0059,-4.5729,-4.5493,-4.5312,-4.5176,-2.9569,1.4483,1.5455,1.5757,1.5821,1.5981,D08335_R05DB05,00060000002000000200060102020000210000000000000000000080000400001000400800000017000a0008200101000100000000204004000000020000821808900900081004400000a0000a80000500900040000030084008080000280000400000000000000000000000c0000800000701800a0500000000000100000100,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000200c02200,0000000000000120820032c488d82aa609025ef71f,0,6,50,1,0,11,56,57,-11.773,-4.102,0,0.0,0.040550273,+,0.6621,-,0.6621,https://www.genome.jp/dbget-bin/www_bget?dr:D08335
5117,D07387, Oxolamine (INN), Other cough suppressants,R05DB07,RESPIRATORY SYSTEM,c1ccc(cc1)c1noc(n1)CC[NH+](CC)CC,246.328,1.2038,72.8887,43.36,22,1,3,IDCHQQSVJAAUQQ-UHFFFAOYSA-O,C14H20N3O+,CC[NH+](CCc1onc(n1)c1ccccc1)CC,"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/p+1",-5.992999999999999,-4.5637,-4.5603,-4.5495,-2.7008,-2.0295,1.4396,1.4609,1.5777,1.5886,1.5959,D07387_R05DB07,08020060000800000000260004000001001040102800000000060080001000003000410000020430000000180008c00400020000080000000020000a00822200060008004000020180100000020020008088004000e02000500a0000240100004000084808080001000010100000020000060104010118000000008000000004,0100000000f001,03004002040000000000000000000000000000000000b000000000000000000000000600c03200,000000002000012141d036e8a968ba0b09235cad1f,0,11,28,0,0,6,38,39,-12.032,-4.237,0,0.0,0.002871202,+,0.3531,-,0.3531,https://www.genome.jp/dbget-bin/www_bget?dr:D07387
5118,D08316, Oxolamine citrate, Other cough suppressants,R05DB07,RESPIRATORY SYSTEM,c1ccc(cc1)c1noc(n1)CC[NH+](CC)CC,246.328,1.2038,72.8887,43.36,22,1,3,IDCHQQSVJAAUQQ-UHFFFAOYSA-O,C14H20N3O+,CC[NH+](CCc1onc(n1)c1ccccc1)CC,"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/p+1",-5.979,-4.5796,-4.5718,-4.5268,-2.7025,-2.0291,1.4395,1.4598,1.5827,1.5845,1.5941,D08316_R05DB07,08020060000800000000260004000001001040102800000000060080001000003000410000020430000000180008c00400020000080000000020000a00822200060008004000020180100000020020008088004000e02000500a0000240100004000084808080001000010100000020000060104010118000000008000000004,0100000000f001,03004002040000000000000000000000000000000000b000000000000000000000000600c03200,000000002000012141d036e8a968ba0b09235cad1f,0,11,28,0,0,6,38,39,-12.032,-4.237,0,2.0,0.0028711609999999997,+,0.3531,-,0.3531,https://www.genome.jp/dbget-bin/www_bget?dr:D08316
5119,D08317, Oxolamine phosphate, Other cough suppressants,R05DB07,RESPIRATORY SYSTEM,c1ccc(cc1)c1noc(n1)CC[NH+](CC)CC,246.328,1.2038,72.8887,43.36,22,1,3,IDCHQQSVJAAUQQ-UHFFFAOYSA-O,C14H20N3O+,CC[NH+](CCc1onc(n1)c1ccccc1)CC,"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/p+1",-5.9881,-4.5727,-4.5664,-4.5317,-2.6968,-2.0279,1.4381,1.4569,1.5835,1.5865,1.5904,D08317_R05DB07,08020060000800000000260004000001001040102800000000060080001000003000410000020430000000180008c00400020000080000000020000a00822200060008004000020180100000020020008088004000e02000500a0000240100004000084808080001000010100000020000060104010118000000008000000004,0100000000f001,03004002040000000000000000000000000000000000b000000000000000000000000600c03200,000000002000012141d036e8a968ba0b09235cad1f,0,11,28,0,0,6,38,39,-12.03,-4.239,0,1.0,0.0028712840000000004,+,0.3531,-,0.3531,https://www.genome.jp/dbget-bin/www_bget?dr:D08317
5120,D08310, Oxeladin (INN), Other cough suppressants,R05DB09,RESPIRATORY SYSTEM,c1(C(C(=O)OCCOCC[NH+](CC)CC)(CC)CC)ccccc1,336.48900000000003,2.2289,100.306,39.97,37,1,3,IQADUMSPOQKAAO-UHFFFAOYSA-O,C20H34NO3+,CCC(c1ccccc1)(C(=O)OCCOCC[NH+](CC)CC)CC,"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3/p+1",-6.0478,-4.5633,-4.5498,-4.5401,-4.4823,-2.9518,1.4349,1.5446,1.5819,1.5947,1.614,D08310_R05DB09,00060000002000000200060000020000210000000000000000000080000400001000400800000017000a000820010100010000000000400400000002000002180890090008100440000000000280000500900040000030084008080000280000400000000000000000000000c000000000070180080500000000000100000000,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000200c02200,00000000000001008200324488d82aa609125ef71f,0,6,51,1,0,13,58,58,-11.302999999999999,-4.158,0,0.0,0.023045797000000003,+,0.4271,-,0.4271,https://www.genome.jp/dbget-bin/www_bget?dr:D08310
5121,D01576, Oxeladin citrate (JAN), Other cough suppressants,R05DB09,RESPIRATORY SYSTEM,c1(C(C(=O)OCCOCC[NH+](CC)CC)(CC)CC)ccccc1,336.48900000000003,2.2289,100.306,39.97,37,1,3,IQADUMSPOQKAAO-UHFFFAOYSA-O,C20H34NO3+,CCC(c1ccccc1)(C(=O)OCCOCC[NH+](CC)CC)CC,"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3/p+1",-6.0475,-4.5678,-4.5452,-4.4982,-4.4798,-2.9762,1.4362,1.5456,1.5752,1.5809,1.5932,D01576_R05DB09,00060000002000000200060000020000210000000000000000000080000400001000400800000017000a000820010100010000000000400400000002000002180890090008100440000000000280000500900040000030084008080000280000400000000000000000000000c000000000070180080500000000000100000000,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000200c02200,00000000000001008200324488d82aa609125ef71f,0,6,51,1,0,13,58,58,-11.3,-4.159,0,-1.0,0.023043538,+,0.4271,-,0.4271,https://www.genome.jp/dbget-bin/www_bget?dr:D01576
5122,D07721, Clofedanol (INN), Other cough suppressants,R05DB10,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@@](c1ccccc1)(CC[NH+](C)C)O)Cl,290.808,2.1105,85.3315,24.67,22,2,1,WRCHFMBCVFFYEQ-KRWDZBQOSA-O,C17H21ClNO+,C[NH+](CCC(c1ccccc1Cl)(c1ccccc1)O)C,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3/p+1/t17-/m0/s1",-6.0436,-4.6711,-4.6085,-4.5734,-3.8357,-2.144,1.4923,1.6099,1.6219,1.6385,1.6505,D07721_R05DB10,00060200000000440a000600800000008000005000000000000200a000200000100040008000000120010018001500000100000000008000000000020000000009000c000000000000000000040000028088004000003008c0080800000900000000000100000000004000000000000000060100000110000002000000800000,0100004c00f001,024840020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000110002027212c9c42c022c84fdb51f,0,12,30,0,0,5,41,42,-12.520999999999999,-3.656,1,1.0,0.00046742,+,0.2957,-,0.2957,https://www.genome.jp/dbget-bin/www_bget?dr:D07721
5123,D01389, Chlophedianol hydrochloride (USAN), Other cough suppressants,R05DB10,RESPIRATORY SYSTEM,c1ccc(c(c1)[C@@](c1ccccc1)(CC[NH+](C)C)O)Cl,290.808,2.1105,85.3315,24.67,22,2,1,WRCHFMBCVFFYEQ-KRWDZBQOSA-O,C17H21ClNO+,C[NH+](CCC(c1ccccc1Cl)(c1ccccc1)O)C,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3/p+1/t17-/m0/s1",-6.0383,-4.6134,-4.5922,-4.5186,-3.8491,-1.9726,1.5577,1.5745,1.5786,1.5874,1.6673,D01389_R05DB10,00060200000000440a000600800000008000005000000000000200a000200000100040008000000120010018001500000100000000008000000000020000000009000c000000000000000000040000028088004000003008c0080800000900000000000100000000004000000000000000060100000110000002000000800000,0100004c00f001,024840020400000000000000000000000000000000040000000000000000000000000200c02204,000000000000110002027212c9c42c022c84fdb51f,0,12,30,0,0,5,41,42,-12.520999999999999,-3.655,1,,0.000467132,+,0.2957,-,0.2957,https://www.genome.jp/dbget-bin/www_bget?dr:D01389
5124,D05484, Pipazethate (USAN), Other cough suppressants,R05DB11,RESPIRATORY SYSTEM,c12c(N(c3c(S1)cccn3)C(=O)OCCOCC[NH+]1CCCCC1)cccc2,400.514,4.5405,117.42200000000001,81.4,32,1,5,DTVJXCOMJLLMAK-UHFFFAOYSA-O,C21H26N3O3S+,O=C(N1c2ccccc2Sc2c1nccc2)OCCOCC[NH+]1CCCCC1,"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2/p+1",-6.0118,-5.2456,-4.6014,-4.5815,-4.5338,-3.5186,1.5725,1.58,1.5832,1.6368,1.9332,D05484_R05DB11,2003010040a000400108068108820000e10101189000200282000000004400001b00380802288036109c001c000004c0010ae0120208200800408070009007140e001d004810082000001000028800021080017105103800c008400004230000400000201000000000200000800004000087108888441a002102c00102100000,0100000030f101,028050020400000000000000000000010040000100009000000000000000000000004600c02200,00004000280001048114b3469b73b0a749a34f7f1f,0,12,44,1,0,8,54,57,-10.112,-4.125,0,-1.0,0.057879772,-,1.3558,-,1.3558,https://www.genome.jp/dbget-bin/www_bget?dr:D05484
5125,D07388, Bibenzonium bromide (INN), Other cough suppressants,R05DB12,RESPIRATORY SYSTEM,c1cccc(c1)C[C@H](OCC[N+](C)(C)C)c1ccccc1,284.416,3.6932,88.1964,9.23,27,0,1,LBRNZQRZDLLIHL-IBGZPJMESA-N,C19H26NO+,C[N+](CCOC(c1ccccc1)Cc1ccccc1)(C)C,"InChI=1S/C19H26NO/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/q+1/t19-/m0/s1",-4.8199,-4.8008,-4.7937,-4.7184,-2.3661,-1.6584,1.4369,1.4558,1.4624,1.472,1.4806,D07388_R05DB12,000700000000004002000600000200000000000000000800002000800004001010004000000000132000100820010100010000000000000400000002000000080800080208100400000001000000000000800040001030084008080000090000400000000000000000400000d000000000060180000100000000000000000000,0100000030f001,028040040400000000000000000000000000000000000000000000000000000000000200c02204,00000020000001000002305008d02ca209129db51f,0,12,36,0,0,7,47,48,-11.715,-4.098,1,0.0,0.030348806000000002,+,0.7525,-,0.7525,https://www.genome.jp/dbget-bin/www_bget?dr:D07388
5126,D07594, Butamirate (INN), Other cough suppressants,R05DB13,RESPIRATORY SYSTEM,c1ccccc1[C@@H](CC)C(=O)OCCOCC[NH+](CC)CC,308.436,1.6647,90.8087,39.97,33,1,3,DDVUMDPCZWBYRA-QGZVFWFLSA-O,C18H30NO3+,CCC(c1ccccc1)C(=O)OCCOCC[NH+](CC)CC,"InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3/p+1/t17-/m1/s1",-6.0037,-4.5805,-4.5569,-4.527,-4.4677,-2.9614,1.5449,1.5717,1.5734,1.5875,1.7549,D07594_R05DB13,00060000002000000200060000020000210000000000000000000080000400001000400800000017000a000820010100010000000000400400000002000002180890090008100440000000000280000500900040000030084008080000280000400000000000000000000000c000000000070180080500000000000000000000,0500000030f005,078040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001008000324488582aa609125ef71f,0,6,45,1,0,12,52,52,-11.557,-4.111000000000001,1,2.0,0.012413867,+,0.7391,-,0.7391,https://www.genome.jp/dbget-bin/www_bget?dr:D07594
5127,D03184, Butamirate citrate (USAN), Other cough suppressants,R05DB13,RESPIRATORY SYSTEM,c1ccccc1[C@@H](CC)C(=O)OCCOCC[NH+](CC)CC,308.436,1.6647,90.8087,39.97,33,1,3,DDVUMDPCZWBYRA-QGZVFWFLSA-O,C18H30NO3+,CCC(c1ccccc1)C(=O)OCCOCC[NH+](CC)CC,"InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3/p+1/t17-/m1/s1",-6.0061,-4.5652,-4.5572,-4.5209,-4.4944,-2.9461,1.55,1.5745,1.5771,1.5787,1.6275,D03184_R05DB13,00060000002000000200060000020000210000000000000000000080000400001000400800000017000a000820010100010000000000400400000002000002180890090008100440000000000280000500900040000030084008080000280000400000000000000000000000c000000000070180080500000000000000000000,0500000030f005,078040020400000000009000000000000000000000000000000000000000000000000200c02a05,00000000000001008000324488582aa609125ef71f,0,6,45,1,0,12,52,52,-11.556,-4.111000000000001,1,,0.012404921000000001,+,0.7391,-,0.7391,https://www.genome.jp/dbget-bin/www_bget?dr:D03184
5128,D07389, Fedrilate (INN), Other cough suppressants,R05DB14,RESPIRATORY SYSTEM,c1(C2(C(=O)O[C@@H](CC[NH+]3CCOCC3)C)CCOCC2)ccccc1,348.457,2.5409,100.78299999999999,49.2,34,1,4,RDEOYUSTRWNWLX-QGZVFWFLSA-O,C20H30NO4+,CC(OC(=O)C1(CCOCC1)c1ccccc1)CC[NH+]1CCOCC1,"InChI=1S/C20H29NO4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3/p+1/t17-/m1/s1",-6.0419,-4.5726,-4.532,-4.5284,-4.4012,-2.9839,1.5542,1.561,1.5629,1.5659999999999998,1.5930000000000002,D07389_R05DB14,000600000020000006000600000200000100001000000000000000800104000010004000c0000013000a001820010100010200000000c01400010002000022180811080008100c4000000800028000050090004000003008c008080000080000400000200000000000000000c000288000070180000110000800000140000400,0500000030f005,0b8040020400000000009000000000000000000000000000000000000000000000000600c02204,0000000000000121020432448bd0aca7090bcff71f,0,6,50,1,0,7,55,57,-11.866,-4.077,1,1.0,0.046781998,-,1.087,-,1.087,https://www.genome.jp/dbget-bin/www_bget?dr:D07389
5129,D07390, Zipeprol (INN), Other cough suppressants,R05DB15,RESPIRATORY SYSTEM,[N@H+]1(CC[N@@H+](CC1)C[C@H](OC)c1ccccc1)C[C@H]([C@H](OC)c1ccccc1)O,386.528,3.0445,120.73,47.57,37,3,3,VSTNNAYSCJQCQI-XPWALMASSA-P,C23H34N2O3++,COC(c1ccccc1)C[NH+]1CC[NH+](CC1)CC(C(c1ccccc1)OC)O,"InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3/p+2/t21-,22+,23-/m1/s1",-6.0229,-6.0134,-4.5569999999999995,-4.5497,-4.5065,-4.5043,1.9531,2.3278,2.3593,2.6018,3.091,D07390_R05DB15,00060000000000400a0006000002000c010000100000000000200080010000001000408ba100001720002038000100000102000000008000000000020000201808000c020010140000200100020000000080004000003008c008080080090000000000200000000000400000c000000000060104000110000002000000000000,0100002c30f001,00a840020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000002100804432548b48a8a30d27dff51f,0,12,52,0,0,9,62,64,-14.618,-7.996,3,0.0,9.480629999999999e-06,+,0.7366,-,0.7366,https://www.genome.jp/dbget-bin/www_bget?dr:D07390
5130,D01700, Dibunate sodium (JAN), Other cough suppressants,R05DB16,RESPIRATORY SYSTEM,c1(ccc2c(c1S(=O)(=O)O)ccc(c2)C(C)(C)C)C(C)(C)C,320.44599999999997,5.7623,92.3468,62.75,26,1,3,WBEBQCINXJDZCX-UHFFFAOYSA-N,C18H24O3S,OS(=O)(=O)c1c2ccc(cc2ccc1C(C)(C)C)C(C)(C)C,"InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)",-9.7049,-9.6435,-9.1081,-2.0694,-1.5494,-1.0796,0.9019,1.1721,2.4221,2.5889,2.7026,D01700_R05DB16,200401000000000202000200000000000000004000000000000000800020000018004008080000000800000800000080002000000000000000000002800000000000400080022080020000000000000800800860002000084008080000000000000200000000000000000000000000000002d100000100000000800000000000,0000000000b001,090000000000000000000000000000000000000000000000000022000000000000004240402800,00000000c080449e160381003083000882943bc01e,0,11,34,2,0,3,46,47,-5.565,2.5469999999999997,0,2.0,0.0015159720000000002,-,1.4159,-,1.4159,https://www.genome.jp/dbget-bin/www_bget?dr:D01700
5131,D04089, Ethyl dibunate (USAN/INN), Other cough suppressants,R05DB16,RESPIRATORY SYSTEM,c1c(cc2c(c1)c(cc(c2)C(C)(C)C)S(=O)(=O)OCC)C(C)(C)C,348.5,6.2408,101.47399999999999,51.75,31,0,3,ZAMACTJOCIFTPJ-UHFFFAOYSA-N,C20H28O3S,CCOS(=O)(=O)c1cc(cc2c1ccc(c2)C(C)(C)C)C(C)(C)C,"InChI=1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3",-9.6539,-9.6034,-6.1167,-1.3174,-1.1803,-1.0039,1.1334,1.1412,1.7344,1.7480000000000002,2.3102,D04089_R05DB16,200401000000000202000200000000000000004000000000000000800000000018004008800000000800000800800080002000000000800000000002000000100800080882022880020000000000000000800060002000084008080000088000000200000000008000010100810100800002d140022100000000800000000000,00000000003001,090000000000000000000000000000000000000000000000000028000000000000004240402000,00000000c080449e060381003093022882101bd51e,0,11,40,2,0,5,52,53,-9.111,-1.037,0,,0.663358331,-,1.3733,-,1.3733,https://www.genome.jp/dbget-bin/www_bget?dr:D04089
5132,D07391, Droxypropine (INN), Other cough suppressants,R05DB17,RESPIRATORY SYSTEM,CCC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC1)CCOCCO,306.42,2.1603,92.2745,50.97,31,2,3,FVYYUBRKVVOOAV-UHFFFAOYSA-O,C18H28NO3+,OCCOCC[NH+]1CCC(CC1)(C(=O)CC)c1ccccc1,"InChI=1S/C18H27NO3/c1-2-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3/p+1",-6.0119,-4.6353,-4.6207,-4.5241,-2.9475,-1.9232,1.5846,1.585,1.8769999999999998,1.9104,2.2072,D07391_R05DB17,00068000002000000a0006000002000021000010000000000000008000040000100050080000001610020018000100000102000000200000000000020000001008000d000810084000002000028000050090015000003008c0080800000800000000002000000000000000008000000000060180020110000002000100000200,1500001c30f001,0b9840020400010000000000000000000000000000000000000000000000000000000600c02a05,0000000000000120820432448ad822a30d07cff71f,0,6,44,1,0,8,50,51,-12.712,-3.7039999999999997,0,1.0,0.0006575719999999999,-,0.5216,-,0.5216,https://www.genome.jp/dbget-bin/www_bget?dr:D07391
5133,D07392, Prenoxdiazine (INN), Other cough suppressants,R05DB18,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)Cc1noc(n1)CC[NH+]1CCCCC1,362.48800000000006,4.6247,112.51299999999999,43.36,30,1,3,PXZDWASDNFWKSD-UHFFFAOYSA-O,C23H28N3O+,C1CC[NH+](CC1)CCc1onc(n1)CC(c1ccccc1)c1ccccc1,"InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2/p+1",-6.006,-4.5902,-4.5696,-4.5296,-1.9788,-1.8617,1.4589,1.4615,1.5612,1.5646,1.5823,D07392_R05DB18,082600608000000022000600840008010010405020000000000600a0001800001000510000020420000000180009c80401030000081000000200000e00822001060008204000820180100000020020200088015000e03008d00a0800240900000000026900080000000010000002000000060104010118000000008100000006,0100000000f001,06004002040000000000000000000000000000000000b000000000000000000000000600c03200,000000002000010141d436eeab60b08b09234d2d1f,0,17,41,0,0,7,55,58,-11.668,-3.972,0,0.0,0.362508386,+,1.2287,-,1.2287,https://www.genome.jp/dbget-bin/www_bget?dr:D07392
5134,D08417, Prenoxdiazine hydrochloride, Other cough suppressants,R05DB18,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)Cc1noc(n1)CC[NH+]1CCCCC1,362.48800000000006,4.6247,112.51299999999999,43.36,30,1,3,PXZDWASDNFWKSD-UHFFFAOYSA-O,C23H28N3O+,C1CC[NH+](CC1)CCc1onc(n1)CC(c1ccccc1)c1ccccc1,"InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2/p+1",-6.0,-4.5909,-4.5832,-4.5427,-1.9877,-1.8419999999999999,1.4556,1.4622,1.5672,1.5702,1.585,D08417_R05DB18,082600608000000022000600840008010010405020000000000600a0001800001000510000020420000000180009c80401030000081000000200000e00822001060008204000820180100000020020200088015000e03008d00a0800240900000000026900080000000010000002000000060104010118000000008100000006,0100000000f001,06004002040000000000000000000000000000000000b000000000000000000000000600c03200,000000002000010141d436eeab60b08b09234d2d1f,0,17,41,0,0,7,55,58,-11.663,-3.971,0,1.0,0.362379313,+,1.2287,-,1.2287,https://www.genome.jp/dbget-bin/www_bget?dr:D08417
5135,D07393, Dropropizine (INN/BAN), Other cough suppressants,R05DB19,RESPIRATORY SYSTEM,c1cccc(c1)N1CC[NH+](CC1)C[C@H](CO)O,237.31799999999998,0.3789,75.6023,48.14,24,3,3,PTVWPYVOOKLBCG-CYBMUJFWSA-O,C13H21N2O2+,OCC(C[NH+]1CCN(CC1)c1ccccc1)O,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/p+1/t13-/m1/s1",-6.013,-4.5392,-4.5383,-4.5198,-3.0276,-3.0246,1.7292,1.733,1.9095,2.3954,3.2586,D07393_R05DB19,000200000000000000000600008000088000000000000000000000000100000012000002a1000027000000380000104000020000000080080000000000000410080008004000100000200000020000000080004004002000400a0000000000000000000000000000000000008000000000060004200010000000000002400000,0100003c00f021,003840020501000000000000000000000000000000000000000000000000000000000600c02204,0000000000003120804432468b50a0835d27cd7d1f,0,6,33,0,0,4,38,39,-12.05,-4.1530000000000005,1,0.0,0.00027809,-,0.3477,-,0.3477,https://www.genome.jp/dbget-bin/www_bget?dr:D07393
5136,D03557, Cloperastine (INN), Other cough suppressants,R05DB21,RESPIRATORY SYSTEM,[C@@H](c1ccccc1)(c1ccc(cc1)Cl)OCC[NH+]1CCCCC1,330.87199999999996,5.084,101.29899999999999,13.67,26,1,1,FLNXBVJLPJNOSI-HXUWFJFHSA-O,C20H25ClNO+,Clc1ccc(cc1)C(c1ccccc1)OCC[NH+]1CCCCC1,"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2/p+1/t20-/m1/s1",-6.0166,-4.5947,-4.5797,-4.525,-3.1557,-1.8318,1.4461,1.4535,1.56,1.5768,1.5825,D03557_R05DB21,000602000000004002000600800200000100005000000c00002000a0002400001000500000000012200100180000000001020000000000000000000200000010080008020810080000000100a60000020088015000102008c0080800000100000000002100000000004000009000000000060180000110000000000100800000,0100000030f001,028040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010000047246ca5420a32903cd351f,0,12,38,0,0,6,48,50,-12.095999999999998,-3.8960000000000004,1,0.0,0.180737168,+,0.7324,-,0.7324,https://www.genome.jp/dbget-bin/www_bget?dr:D03557
5137,D01569, Cloperastine fendizoate (JAN), Other cough suppressants,R05DB21,RESPIRATORY SYSTEM,c1cccc(c1C(=O)O)C(=O)c1cc(c(cc1)O)c1ccccc1,318.323,3.9884,90.7348,74.6,17,2,4,PKHPZNKXOBWFCX-UHFFFAOYSA-N,C20H14O4,Oc1ccc(cc1c1ccccc1)C(=O)c1ccccc1C(=O)O,"InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)",-4.4152,-4.2618,-2.6809,-2.6565,-1.7154,-1.3307,1.1148,1.1519,1.2065,2.1919999999999997,2.3001,D01569_R05DB21,00040000000200c002000200804000124100004000001210800200a0000000001440400000400010600b0208000000000000020000001004001000020000020008200808000000000000200002800000008a0040000000084008080000010000000000054004000200c000000100000000020100010100200808000000200000,1400000c02b003,000000000000010000008800000000000001000000010000000000000000000000000240402800,0000000000000020000000000000014484cca3521e,0,18,20,2,0,4,38,40,-4.6,1.735,0,,0.000270244,-,0.6915,-,0.6915,https://www.genome.jp/dbget-bin/www_bget?dr:D01569
5138,D01609, Cloperastine Hydrochloride (JP17), Other cough suppressants,R05DB21,RESPIRATORY SYSTEM,[C@@H](c1ccccc1)(c1ccc(cc1)Cl)OCC[NH+]1CCCCC1,330.87199999999996,5.084,101.29899999999999,13.67,26,1,1,FLNXBVJLPJNOSI-HXUWFJFHSA-O,C20H25ClNO+,Clc1ccc(cc1)C(c1ccccc1)OCC[NH+]1CCCCC1,"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2/p+1/t20-/m1/s1",-6.0213,-4.5967,-4.5922,-4.5534,-3.147,-1.8505,1.4539,1.4599,1.5593,1.5826,1.5958,D01609_R05DB21,000602000000004002000600800200000100005000000c00002000a0002400001000500000000012200100180000000001020000000000000000000200000010080008020810080000000100a60000020088015000102008c0080800000100000000002100000000004000009000000000060180000110000000000100800000,0100000030f001,028040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000010000047246ca5420a32903cd351f,0,12,38,0,0,6,48,50,-12.095999999999998,-3.897,1,,0.18076479399999998,+,0.7324,-,0.7324,https://www.genome.jp/dbget-bin/www_bget?dr:D01609
5139,D07394, Meprotixol (INN), Other cough suppressants,R05DB22,RESPIRATORY SYSTEM,c1(ccc2c(c1)[C@](c1c(S2)cccc1)(O)CCC[NH+](C)C)OC,330.464,2.3204,95.7435,59.2,27,2,3,LAYVFLWAVIGDLK-IBGZPJMESA-O,C19H24NO2S+,COc1ccc2c(c1)C(O)(CCC[NH+](C)C)c1c(S2)cccc1,"InChI=1S/C19H23NO2S/c1-20(2)12-6-11-19(21)15-7-4-5-8-17(15)23-18-10-9-14(22-3)13-16(18)19/h4-5,7-10,13,21H,6,11-12H2,1-3H3/p+1/t19-/m0/s1",-6.0425,-4.6072,-4.5963,-4.5347,-3.8569,-1.6754,1.4728,1.5608,1.577,1.588,1.68,D07394_R05DB22,200e01000001004002000700800a00000010005000008000000000a0003000001900520000008001200000180001008001020200100468800400000200100004080008000500000100002020020000280080016000043008c00808000009100002400001000000022040104000101600000611000a0112200842804b00000000,0100004c50f101,024852020400000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040202b3169ac92d620cd5ddf51f,0,12,37,0,0,5,47,49,-10.28,-4.078,1,-2.0,0.0012284169999999999,-,0.6940000000000001,-,0.6940000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D07394
5140,D08604, Tipepidine (INN), Other cough suppressants,R05DB24,RESPIRATORY SYSTEM,C1CCC(=C(c2cccs2)c2cccs2)C[N@@H+]1C,276.44,4.4892,86.4687,60.92,18,1,2,JWIXXNLOKOAAQT-UHFFFAOYSA-O,C15H18NS2+,C[NH+]1CCCC(=C(c2cccs2)c2cccs2)C1,"InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3/p+1",-6.0485,-5.8626,-4.6147,-4.611000000000001,-1.6926,-0.6822,1.5274,1.59,1.6028,1.8488,1.8563,D08604_R05DB24,4006c102000000040200060080014004040001d00020480000000024000000031000500020800000800008580008000045028020000010800a018032004c202000000000022000000000010012000200800001d00002a0008000580000000010012c000180009080040000000040000000060000000310000080000100020100,0100000000f001,12004002040000000000000000000000000000000000c000000000000000000000000640c02204,0000000008000300000cb7968e48ac8301034ca117,0,10,27,1,0,2,36,38,-11.835,-3.8930000000000002,1,1.0,0.057189498,+,1.3288,-,1.3288,https://www.genome.jp/dbget-bin/www_bget?dr:D08604
5141,D01495, Tipepidine hibenzate (JP17), Other cough suppressants,R05DB24,RESPIRATORY SYSTEM,c1cccc(c1C(=O)O)C(=O)c1ccc(cc1)O,242.227,2.3214,65.2988,74.6,13,2,4,YGTUPRIZNBMOFV-UHFFFAOYSA-N,C14H10O4,Oc1ccc(cc1)C(=O)c1ccccc1C(=O)O,"InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)",-4.4219,-4.2642,-2.7089,-2.6565,-1.6863,-1.3276,1.0952,1.1474,1.2325,2.1891,2.2877,D01495_R05DB24,00040000000000c002000200800000020000004000001200000200a0000000001400400000400000600b020800000000000002000000100000000002000000000800080000000000000020000280000000880040000000084008080000010000000000054004000200c000000000000000020100010100200808000000000000,1400000c02b003,000000000000010000008800000000000001000000010000000000000000000000000240402800,0000000000000000000000000000014484cca3521e,0,12,15,2,0,3,28,29,-4.6930000000000005,2.515,0,,8.60961e-06,-,0.3783,-,0.3783,https://www.genome.jp/dbget-bin/www_bget?dr:D01495
5142,D02023, Tipepidine citrate (JAN), Other cough suppressants,R05DB24,RESPIRATORY SYSTEM,C1CCC(=C(c2cccs2)c2cccs2)C[N@@H+]1C,276.44,4.4892,86.4687,60.92,18,1,2,JWIXXNLOKOAAQT-UHFFFAOYSA-O,C15H18NS2+,C[NH+]1CCCC(=C(c2cccs2)c2cccs2)C1,"InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3/p+1",-6.0483,-5.8624,-4.6148,-4.6112,-1.6928,-0.6822,1.5276,1.5901,1.6027,1.8487,1.8564,D02023_R05DB24,4006c102000000040200060080014004040001d00020480000000024000000031000500020800000800008580008000045028020000010800a018032004c202000000000022000000000010012000200800001d00002a0008000580000000010012c000180009080040000000040000000060000000310000080000100020100,0100000000f001,12004002040000000000000000000000000000000000c000000000000000000000000640c02204,0000000008000300000cb7968e48ac8301034ca117,0,10,27,1,0,2,36,38,-11.835999999999999,-3.8930000000000002,1,0.0,0.057188712,+,1.3288,-,1.3288,https://www.genome.jp/dbget-bin/www_bget?dr:D02023
5143,D07395, Morclofone (INN), Other cough suppressants,R05DB25,RESPIRATORY SYSTEM,c1c(ccc(c1)C(=O)c1cc(c(c(c1)OC)OCC[NH+]1CCOCC1)OC)Cl,406.88,3.4513,111.58200000000001,58.43,30,1,5,KVCJCEKJKGLBOK-UHFFFAOYSA-O,C21H25ClNO5+,COc1cc(cc(c1OCC[NH+]1CCOCC1)OC)C(=O)c1ccc(cc1)Cl,"InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3/p+1",-6.035,-4.5515,-4.5503,-4.547,-2.6256,-1.663,1.4303,1.4525,1.5727,1.5728,1.5799,D07395_R05DB25,80060200000000800a000600800200000100004000001600000000a00024000014004200000000120003060800000000000a020000000800040000020000001008810822095020010000002026c08002008800400000200840080800000000000000000100000442000000008010000002062180090100200808004201a00004,1500000070f001,008042020400010000000000000000000001000000040000000000000000000000000640c02200,000000000000010180047255ca54a1e329cbfff71f,0,12,42,1,0,8,53,55,-11.735999999999999,-4.231,0,0.0,0.130640373,+,1.0036,-,1.0036,https://www.genome.jp/dbget-bin/www_bget?dr:D07395
5144,D07396, Nepinalone (INN), Other cough suppressants,R05DB26,RESPIRATORY SYSTEM,c1ccc2c(c1)[C@](C(=O)CC2)(CC[NH+]1CCCCC1)C,272.405,3.4877,88.0727,21.51,27,1,1,RVXGRCNWGOHSDE-GOSISDBHSA-O,C18H26NO+,O=C1CCc2c(C1(C)CC[NH+]1CCCCC1)cccc2,"InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3/p+1/t18-/m1/s1",-6.0357,-4.5997,-4.587,-4.5494,-2.9936,-1.3869,1.4296,1.4518,1.5919999999999999,1.5924,1.6007,D07396_R05DB26,00268000002002000a00060002000000000000100000000001010080000800001000500000400000100200180001000001020000082000000000000200020000000004020000004000002000028000050090015000003008c0080800000800000100002000000001020000000000000000060100020150000002000100000200,1500000000f001,0b0040020400010000000000000000000000000000000000000000000000000000004600c02a05,0000000000000100020432069ac92cc309c3eda71f,0,6,41,1,0,3,46,48,-12.458,-3.647,1,1.0,0.000481883,-,0.735,-,0.735,https://www.genome.jp/dbget-bin/www_bget?dr:D07396
5145,D08119, Levodropropizine (INN), Other cough suppressants,R05DB27,RESPIRATORY SYSTEM,C1N(CC[NH+](C1)C[C@@H](CO)O)c1ccccc1,237.31799999999998,0.3789,75.6023,48.14,24,3,3,PTVWPYVOOKLBCG-ZDUSSCGKSA-O,C13H21N2O2+,OCC(C[NH+]1CCN(CC1)c1ccccc1)O,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/p+1/t13-/m0/s1",-6.018,-4.5319,-4.5213,-4.4909,-3.0186,-3.0138,1.7281,1.7351,1.9056,2.428,3.2207,D08119_R05DB27,000200000000000000000600008000088000000000000000000000000100000012000002a1000027000000380000104000020000000080080000000000000410080008004000100000200000020000000080004004002000400a0000000000000000000000000000000000008000000000060004200010000000000002400000,0100003c00f021,003840020501000000000000000000000000000000000000000000000000000000000600c02204,0000000000003120804432468b50a0835d27cd7d1f,0,6,33,0,0,4,38,39,-12.049000000000001,-4.1530000000000005,1,0.0,0.000273005,-,0.3477,-,0.3477,https://www.genome.jp/dbget-bin/www_bget?dr:D08119
5146,D07397, Dimethoxanate (INN), Other cough suppressants,R05DB28,RESPIRATORY SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)C(=O)OCCOCC[NH+](C)C,359.463,2.6519999999999997,103.7,68.51,28,1,4,OOVJCSPCMCAXEX-UHFFFAOYSA-O,C19H23N2O3S+,C[NH+](CCOCCOC(=O)N1c2ccccc2Sc2c1cccc2)C,"InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3/p+1",-5.9944,-5.257999999999999,-4.625,-4.6078,-4.5691,-3.5189,1.538,1.5576,1.5685,1.5906,2.529,D07397_R05DB28,2002010000a000000100068100820000e00000081000200202000000004400000900080802208036100c0008000000c0000040020208200800008020009006040a001900481000200000100000800000108000600400280040080000042200004000000010000000002000008000040000861088080402000102c00002000000,0100000030f101,008050020400000000000000000000000040000100000000000000000000000000004600c02200,00004000080001048006b3549a73bca749a35fff1f,0,12,37,1,0,8,48,50,-9.972000000000001,-4.4030000000000005,0,-2.0,0.010448925999999999,-,0.6949,-,0.6949,https://www.genome.jp/dbget-bin/www_bget?dr:D07397
5147,D07850, Dimethoxanate hydrochloride, Other cough suppressants,R05DB28,RESPIRATORY SYSTEM,c1ccc2c(c1)N(c1c(S2)cccc1)C(=O)OCCOCC[NH+](C)C,359.463,2.6519999999999997,103.7,68.51,28,1,4,OOVJCSPCMCAXEX-UHFFFAOYSA-O,C19H23N2O3S+,C[NH+](CCOCCOC(=O)N1c2ccccc2Sc2c1cccc2)C,"InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3/p+1",-6.04,-5.2782,-4.6317,-4.6103,-4.5513,-3.5064,1.4663,1.5719999999999998,1.5851,1.5952,1.6037,D07850_R05DB28,2002010000a000000100068100820000e00000081000200202000000004400000900080802208036100c0008000000c0000040020208200800008020009006040a001900481000200000100000800000108000600400280040080000042200004000000010000000002000008000040000861088080402000102c00002000000,0100000030f101,008050020400000000000000000000000040000100000000000000000000000000004600c02200,00004000080001048006b3549a73bca749a35fff1f,0,12,37,1,0,8,48,50,-9.906,-4.374,0,-1.0,0.010446111999999999,-,0.6949,-,0.6949,https://www.genome.jp/dbget-bin/www_bget?dr:D07850
5148,D03166, Bromodiphenhydramine hydrochloride (USP, Aminoalkyl ethers,R06AA01,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)OCC[NH+](C)C)Br,335.259,2.6996,88.0617,13.67,22,1,1,NUNIWXHYABYXKF-KRWDZBQOSA-O,C17H21BrNO+,C[NH+](CCOC(c1ccc(cc1)Br)c1ccccc1)C,"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/p+1/t17-/m0/s1",-6.0142,-4.625,-4.6164,-4.5595,-3.1571,-1.8467,1.4592,1.47,1.5731,1.5866,1.5873,D03166_R06AA01,000600080800004002000600800200000000004000001a00002000a000040000100040000000001220000008000000000000000000000000001400020000000008000802081000000000010010000000008000400010200840080800000100000000000100000000004000009000000000060180000100000080000000400000,0100000030f001,008040020400000000000000000000000000000000100000000000000000000000000200c02204,00000000002001000002725088542c222802ddb51f,0,12,30,0,0,6,41,42,-11.947000000000001,-3.978,1,0.0,0.029763116000000003,+,0.2563,-,0.2563,https://www.genome.jp/dbget-bin/www_bget?dr:D03166
5149,D07862, Diphenylpyraline (INN), Aminoalkyl ethers,R06AA07,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)O[C@@H]1CC[N@@H+](CC1)C,282.4,4.0389,91.4817,13.67,25,1,1,OWQUZNMMYNAXSL-UHFFFAOYSA-O,C19H24NO+,C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/p+1",-6.0383,-4.6028,-4.5969,-4.5859,-3.1397,-1.6535,1.4624,1.4722,1.5707,1.5713,1.5842,D07862_R06AA07,000600020000004002000600800200000000005000000800002000a0010400001000500080000001200000182000000001020000000080000000000200002000080008020000000000000900020000000080015000002008c0080800000100000000000100000000004000001000000000060100000110000000000100000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000432148b402ce30943cdb11f,0,12,35,0,0,4,45,47,-11.812000000000001,-4.001,0,0.0,0.020264743,+,0.7172,-,0.7172,https://www.genome.jp/dbget-bin/www_bget?dr:D07862
5150,D01172, Diphenylpyraline hydrochloride (JAN), Aminoalkyl ethers,R06AA07,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)O[C@@H]1CC[N@@H+](CC1)C,282.4,4.0389,91.4817,13.67,25,1,1,OWQUZNMMYNAXSL-UHFFFAOYSA-O,C19H24NO+,C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/p+1",-6.0375,-4.6053,-4.6031,-4.5893,-3.1587,-1.6994,1.4618,1.4684,1.5729,1.5739,1.5869,D01172_R06AA07,000600020000004002000600800200000000005000000800002000a0010400001000500080000001200000182000000001020000000080000000000200002000080008020000000000000900020000000080015000002008c0080800000100000000000100000000004000001000000000060100000110000000000100000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000432148b402ce30943cdb11f,0,12,35,0,0,4,45,47,-11.908,-3.9930000000000003,0,0.0,0.017967412,+,0.7172,-,0.7172,https://www.genome.jp/dbget-bin/www_bget?dr:D01172
5151,D01627, Diphenylpyraline teoclate (JAN), Aminoalkyl ethers,R06AA07,RESPIRATORY SYSTEM,C(c1ccccc1)(c1ccccc1)O[C@H]1CC[N@@H+](C)CC1,282.4,4.0389,91.4817,13.67,25,1,1,OWQUZNMMYNAXSL-UHFFFAOYSA-O,C19H24NO+,C[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/p+1",-6.0343,-4.6406,-4.6318,-4.6042,-3.1687,-1.5583,1.4432,1.486,1.5946,1.5958,1.6008,D01627_R06AA07,000600020000004002000600800200000000005000000800002000a0010400001000500080000001200000182000000001020000000080000000000200002000080008020000000000000900020000000080015000002008c0080800000100000000000100000000004000001000000000060100000110000000000100000000,0100000030f001,028040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100000432148b402ce30943cdb11f,0,12,35,0,0,4,45,47,-11.911,-3.9930000000000003,0,,0.017519936,+,0.7172,-,0.7172,https://www.genome.jp/dbget-bin/www_bget?dr:D01627
5152,D07617, Carbinoxamine (INN), Aminoalkyl ethers,R06AA08,RESPIRATORY SYSTEM,c1cccc(n1)[C@@H](c1ccc(cc1)Cl)OCC[NH+](C)C,291.796,1.9855,83.1667,26.56,22,1,2,OJFSXZCBGQGRNV-MRXNPFEDSA-O,C16H20ClN2O+,Clc1ccc(cc1)C(c1ccccn1)OCC[NH+](C)C,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/p+1/t16-/m1/s1",-6.015,-4.6254,-4.6202,-4.5654,-3.1342,-2.0253,1.5686,1.5909,1.591,1.7935,2.053,D07617_R06AA08,000602200000004002040600840200000000004040000c00002000a00024000010014000022080b22081000800000040000040000000200001008002008000008c000c020810020000000100a408000200888040049020084008080000030000001000010000000000400800b00004000006019000410002000000000a800000,0100000030f001,008040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027250ca542c232823ddbd1f,0,12,29,0,0,6,40,41,-12.042,-3.895,1,0.0,0.010438414,+,0.3228,-,0.3228,https://www.genome.jp/dbget-bin/www_bget?dr:D07617
5153,D01336, Carbinoxamine maleate (JAN/USP), Aminoalkyl ethers,R06AA08,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccn1)OCC[NH+](C)C)Cl,291.796,1.9855,83.1667,26.56,22,1,2,OJFSXZCBGQGRNV-MRXNPFEDSA-O,C16H20ClN2O+,Clc1ccc(cc1)C(c1ccccn1)OCC[NH+](C)C,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/p+1/t16-/m1/s1",-6.0166,-4.624,-4.6164,-4.5705,-3.1368,-2.0297,1.5665,1.5912,1.5927,1.7832,2.0407,D01336_R06AA08,000602200000004002040600840200000000004040000c00002000a00024000010014000022080b22081000800000040000040000000200001008002008000008c000c020810020000000100a408000200888040049020084008080000030000001000010000000000400800b00004000006019000410002000000000a800000,0100000030f001,008040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027250ca542c232823ddbd1f,0,12,29,0,0,6,40,41,-12.027000000000001,-3.886,1,,0.010316063,+,0.3228,-,0.3228,https://www.genome.jp/dbget-bin/www_bget?dr:D01336
5154,D07878, Doxylamine (INN), Aminoalkyl ethers,R06AA09,RESPIRATORY SYSTEM,[C@@](c1ccccc1)(c1ncccc1)(OCC[NH+](C)C)C,271.377,1.5062,82.8467,26.56,25,1,2,HCFDWZZGGLSKEP-KRWDZBQOSA-O,C17H23N2O+,C[NH+](CCOC(c1ccccn1)(c1ccccc1)C)C,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/p+1/t17-/m0/s1",-6.0511,-4.6393,-4.6176,-4.5451,-3.1372,-2.005,1.5879,1.6049,1.6085,1.7723,2.1766,D07878_R06AA09,000600200000004002040600840200000000004040000800002000a00004000010014000022080b22080000800000040000040000000200001008002008000008c000c0208100200000001000008000000808040049020084008080000030000001000010000000000400800b00004000006019000410002000000000a000000,0100000030f001,018040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100030232508ad82c230833ddbd1f,0,12,32,0,0,6,43,44,-12.195,-3.806,1,0.0,0.000130206,+,0.3221,-,0.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D07878
5155,D02327, Doxylamine succinate (USP), Aminoalkyl ethers,R06AA09,RESPIRATORY SYSTEM,[C@@](c1ccccc1)(c1ncccc1)(OCC[NH+](C)C)C,271.377,1.5062,82.8467,26.56,25,1,2,HCFDWZZGGLSKEP-KRWDZBQOSA-O,C17H23N2O+,C[NH+](CCOC(c1ccccn1)(c1ccccc1)C)C,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3/p+1/t17-/m0/s1",-6.0539,-4.6364,-4.6191,-4.5508,-3.1207,-2.0144,1.5887,1.6011,1.6043,1.7996,2.1775,D02327_R06AA09,000600200000004002040600840200000000004040000800002000a00004000010014000022080b22080000800000040000040000000200001008002008000008c000c0208100200000001000008000000808040049020084008080000030000001000010000000000400800b00004000006019000410002000000000a000000,0100000030f001,018040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100030232508ad82c230833ddbd1f,0,12,32,0,0,6,43,44,-12.193,-3.804,1,,0.000130238,+,0.3221,-,0.3221,https://www.genome.jp/dbget-bin/www_bget?dr:D02327
5156,D08643, Trimethobenzamide (INN), Aminoalkyl ethers,R06AA10,RESPIRATORY SYSTEM,c1(cc(c(c(c1)OC)OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,389.465,1.5566,108.46799999999999,70.46,35,2,6,FEZBIKUBAYAZIU-UHFFFAOYSA-O,C21H29N2O5+,COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)/p+1",-6.0204,-4.62,-4.6092,-4.5798,-4.1379,-3.8417,1.4707,1.5753,1.5831,1.5851,1.6649,D08643_R06AA10,000200000000048009000600000300000000008000002200000000c0000000000c804400000000120086060800000080000a020000000800040000020020000008800820015400010000000002c88000008000400000200040080000000000000010000200000442000000008010000002060100090100200808804401200004,0500000050f001,0000420204000000000080000a0000000001000000000000000000000000000000000240c02a00,00000000000001008002325988703d620cfaffff1f,0,12,45,1,0,11,57,58,-10.719000000000001,-4.45,0,2.0,0.012635783999999999,+,0.9217,-,0.9217,https://www.genome.jp/dbget-bin/www_bget?dr:D08643
5157,D02733, Trimethobenzamide hydrochloride (USP), Aminoalkyl ethers,R06AA10,RESPIRATORY SYSTEM,c1(cc(c(c(c1)OC)OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,389.465,1.5566,108.46799999999999,70.46,35,2,6,FEZBIKUBAYAZIU-UHFFFAOYSA-O,C21H29N2O5+,COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCC[NH+](C)C,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)/p+1",-6.0485,-4.6094,-4.6023,-4.5307,-4.1508,-3.8635,1.4732,1.5666,1.5874,1.5876,1.6789,D02733_R06AA10,000200000000048009000600000300000000008000002200000000c0000000000c804400000000120086060800000080000a020000000800040000020020000008800820015400010000000002c88000008000400000200040080000000000000010000200000442000000008010000002060100090100200808804401200004,0500000050f001,0000420204000000000080000a0000000001000000000000000000000000000000000240c02a00,00000000000001008002325988703d620cfaffff1f,0,12,45,1,0,11,57,58,-10.710999999999999,-4.448,0,1.0,0.012628106000000002,+,0.9217,-,0.9217,https://www.genome.jp/dbget-bin/www_bget?dr:D02733
5158,D07543, Brompheniramine (INN), Substituted alkylamines,R06AB01,RESPIRATORY SYSTEM,[C@@H](c1ccc(cc1)Br)(c1ccccn1)CC[NH+](C)C,320.247,2.5106,84.7717,17.33,21,1,1,ZDIGNSYAACHWNL-OAHLLOKOSA-O,C16H20BrN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Br)C,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m1/s1",-6.0329,-4.6114,-4.5991,-4.5299,-1.3376,-1.0961,1.4424,1.4724,1.5693,1.5809,1.5889,D07543_R06AB01,00060028080000000a008600840000000001005040001200000000a0000000001000400000008020008000180001006001000000080020000104000600000000840004020000020000000000100800000080804004803008c008080000080000001000012000000000000800200004000006011000411000008200000a400000,0100000000f001,060040020400000000000000000000000000000000109000000000000000000000000600c02204,0000000000200100010272108a442c0320215dad17,0,12,28,0,0,5,39,40,-11.99,-4.07,1,1.0,0.017988395,+,0.2753,-,0.2753,https://www.genome.jp/dbget-bin/www_bget?dr:D07543
5159,D00663, Brompheniramine maleate (USAN), Substituted alkylamines,R06AB01,RESPIRATORY SYSTEM,[C@@H](c1ccc(cc1)Br)(c1ccccn1)CC[NH+](C)C,320.247,2.5106,84.7717,17.33,21,1,1,ZDIGNSYAACHWNL-OAHLLOKOSA-O,C16H20BrN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Br)C,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m1/s1",-6.0431,-4.6072,-4.6055,-4.5495,-1.4262,-1.0942,1.4541,1.4748,1.5661,1.5822,1.5842,D00663_R06AB01,00060028080000000a008600840000000001005040001200000000a0000000001000400000008020008000180001006001000000080020000104000600000000840004020000020000000000100800000080804004803008c008080000080000001000012000000000000800200004000006011000411000008200000a400000,0100000000f001,060040020400000000000000000000000000000000109000000000000000000000000600c02204,0000000000200100010272108a442c0320215dad17,0,12,28,0,0,5,39,40,-11.991,-4.072,1,,0.017985106,+,0.2753,-,0.2753,https://www.genome.jp/dbget-bin/www_bget?dr:D00663
5160,D07803, Dexchlorpheniramine (INN), Substituted alkylamines,R06AB02,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@H](c1ccccn1)CC[NH+](C)C)Cl,275.796,2.4015,82.0817,17.33,21,1,1,SOYKEARSMXGVTM-HNNXBMFYSA-O,C16H20ClN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Cl)C,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m0/s1",-5.9633,-4.6243,-4.6182,-4.6134,-2.4330000000000003,-1.4157,1.4555,1.4784,1.5763,1.5923,1.6057,D07803_R06AB02,00060220000000000a008600840000000001005040000400000000a0002000001000400000008020008100180001006001000000080020000100000600000000840004020000020000000000240800020088804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a800000,0100000000f001,060040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027210ca442c0320215dad17,0,12,28,0,0,5,39,40,-12.091,-3.958,1,0.0,0.016015405,+,0.5323,-,0.5323,https://www.genome.jp/dbget-bin/www_bget?dr:D07803
5161,D00668, Dexchlorpheniramine maleate (USP), Substituted alkylamines,R06AB02,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@H](c1ccccn1)CC[NH+](C)C)Cl,275.796,2.4015,82.0817,17.33,21,1,1,SOYKEARSMXGVTM-HNNXBMFYSA-O,C16H20ClN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Cl)C,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m0/s1",-6.0401,-4.6302,-4.6199,-4.5333,-1.4979,-1.0928,1.4276,1.4614,1.5943,1.6051,1.6089,D00668_R06AB02,00060220000000000a008600840000000001005040000400000000a0002000001000400000008020008100180001006001000000080020000100000600000000840004020000020000000000240800020088804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a800000,0100000000f001,060040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027210ca442c0320215dad17,0,12,28,0,0,5,39,40,-12.058,-4.066,1,-1.0,0.013187417,+,0.5323,-,0.5323,https://www.genome.jp/dbget-bin/www_bget?dr:D00668
5162,D07398, Chlorphenamine (INN), Substituted alkylamines,R06AB04,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccn1)CC[NH+](C)C)Cl,275.796,2.4015,82.0817,17.33,21,1,1,SOYKEARSMXGVTM-OAHLLOKOSA-O,C16H20ClN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Cl)C,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m1/s1",-6.0405,-4.6261,-4.6193,-4.5666,-1.4029,-1.0956,1.4399,1.4629,1.6025,1.6063,1.6083,D07398_R06AB04,00060220000000000a008600840000000001005040000400000000a0002000001000400000008020008100180001006001000000080020000100000600000000840004020000020000000000240800020088804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a800000,0100000000f001,060040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027210ca442c0320215dad17,0,12,28,0,0,5,39,40,-12.095999999999998,-3.9539999999999997,1,0.0,0.015997583,+,0.5323,-,0.5323,https://www.genome.jp/dbget-bin/www_bget?dr:D07398
5163,D00665, Chlorpheniramine maleate (JP17/USP), Substituted alkylamines,R06AB04,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccn1)CC[NH+](C)C)Cl,275.796,2.4015,82.0817,17.33,21,1,1,SOYKEARSMXGVTM-OAHLLOKOSA-O,C16H20ClN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Cl)C,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m1/s1",-6.046,-4.6080000000000005,-4.5984,-4.5116,-1.4628,-1.0962,1.4463,1.4639,1.5638,1.5889,1.5947,D00665_R06AB04,00060220000000000a008600840000000001005040000400000000a0002000001000400000008020008100180001006001000000080020000100000600000000840004020000020000000000240800020088804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a800000,0100000000f001,060040020400000000000000000000000000000000049000000000000000000000000600c02204,000000000000010001027210ca442c0320215dad17,0,12,28,0,0,5,39,40,-12.065,-4.066,1,,0.01316768,+,0.5323,-,0.5323,https://www.genome.jp/dbget-bin/www_bget?dr:D00665
5164,D03704, Dexbrompheniramine maleate (USAN), Substituted alkylamines,R06AB06,RESPIRATORY SYSTEM,[C@H](c1ccccn1)(CC[NH+](C)C)c1ccc(cc1)Br,320.247,2.5106,84.7717,17.33,21,1,1,ZDIGNSYAACHWNL-HNNXBMFYSA-O,C16H20BrN2+,C[NH+](CCC(c1ccccn1)c1ccc(cc1)Br)C,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/p+1/t15-/m0/s1",-6.0431,-4.6077,-4.6044,-4.5511,-1.4225,-1.0902,1.4508,1.4762,1.5678,1.5815,1.584,D03704_R06AB06,00060028080000000a008600840000000001005040001200000000a0000000001000400000008020008000180001006001000000080020000104000600000000840004020000020000000000100800000080804004803008c008080000080000001000012000000000000800200004000006011000411000008200000a400000,0100000000f001,060040020400000000000000000000000000000000109000000000000000000000000600c02204,0000000000200100010272108a442c0320215dad17,0,12,28,0,0,5,39,40,-12.02,-3.9589999999999996,1,1.0,0.024774239,+,0.2753,-,0.2753,https://www.genome.jp/dbget-bin/www_bget?dr:D03704
5165,D07399, Talastine (INN), Substituted alkylamines,R06AB07,RESPIRATORY SYSTEM,c1ccc2c(c1)c(=O)n(nc2Cc1ccccc1)CC[NH+](C)C,308.397,1.1318,95.2927,39.33,24,1,3,LCAAMXMULMCKLJ-UHFFFAOYSA-O,C19H22N3O+,C[NH+](CCn1nc(Cc2ccccc2)c2c(c1=O)cccc2)C,"InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3/p+1",-5.9679,-4.6508,-4.6398,-4.5605,-3.6054,-1.8779,1.5314,1.5726,1.59,1.5911,1.6095,D07399_R06AB07,004600000000000252000600840100090000004000000000010000e00000100c10007002814880011880053c00000000400222000000a00004000202000020000c200d00000800000000e000029000000080016008802008c8080cc00104200600120001000000022200008000000c0102070140000100200844000104000000,0100000000f001,020040020400000000008000200000000001000000009900000000000000000000004640c02200,000000000000090001c632789a61bdcb00e37daf1f,0,17,29,1,0,5,45,47,-11.905,-4.1080000000000005,0,1.0,0.0005067240000000001,+,0.5727,-,0.5727,https://www.genome.jp/dbget-bin/www_bget?dr:D07399
5166,D07400, Histapyrrodine (INN), Substituted ethylene diamines,R06AC02,RESPIRATORY SYSTEM,c1(CN(CC[NH+]2CCCC2)c2ccccc2)ccccc1,281.415,3.9411,94.8307,7.68,26,1,1,MXHODDGKGSGCDI-UHFFFAOYSA-O,C19H25N2+,c1ccc(cc1)N(Cc1ccccc1)CC[NH+]1CCCC1,"InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2/p+1",-5.994,-4.5945,-4.5927,-4.5707,-4.1631,-3.0161,1.4932,1.5588,1.5699,1.6124,1.7246,D07400_R06AC02,000200000000040000000600008100088000009000000000000000c00000000012004002010001200080003800001040010200000000000800000002000004000000000040040000002000000208000000c0004004002000c00a0100000000000010002200000000100000000000000000060104200110000000000002400000,0100000000f021,020040020500000000000000000000000000000000000000000000000000000000000600c02200,0000000000000100004436868840208351234d2d17,0,12,36,0,0,6,46,48,-11.908,-3.798,0,1.0,0.022219755,+,0.7573,-,0.7573,https://www.genome.jp/dbget-bin/www_bget?dr:D07400
5167,D07125, Alimemazine (INN), Phenothiazine derivatives,R06AD01,RESPIRATORY SYSTEM,c12N(c3c(Sc1cccc2)cccc3)C[C@H](C[NH+](C)C)C,299.454,3.1349,96.1337,32.98,25,1,1,ZZHLYYDVIOPZBE-AWEZNQCLSA-O,C18H23N2S+,C[NH+](CC(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/p+1/t14-/m0/s1",-6.0436,-4.6216,-4.6048,-4.5825,-2.0385,-1.6132,1.4649,1.4665,1.5719,1.5748,1.6062,D07125_R06AD01,2002010000a00000100006010082000080000000100020020001000000400000190008000000802000000018000010e00000000202002008000000200010040402000000400002200000000000000000008000600440200060090000002000000000000010000000002000000000042000061000000012000002800002400000,0100000000f121,050050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040086b3121a09840340b359ad17,0,12,34,0,0,4,44,46,-10.139,-4.131,1,1.0,0.00043961900000000003,+,0.6526,-,0.6526,https://www.genome.jp/dbget-bin/www_bget?dr:D07125
5168,D02245, Trimeprazine tartrate (USP), Phenothiazine derivatives,R06AD01,RESPIRATORY SYSTEM,c12N(c3c(Sc1cccc2)cccc3)C[C@H](C[NH+](C)C)C,299.454,3.1349,96.1337,32.98,25,1,1,ZZHLYYDVIOPZBE-AWEZNQCLSA-O,C18H23N2S+,C[NH+](CC(CN1c2ccccc2Sc2c1cccc2)C)C,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/p+1/t14-/m0/s1",-6.0685,-4.6228,-4.6225,-4.6125,-2.0434,-1.5824,1.4659,1.4731,1.5966,1.5976,1.6132,D02245_R06AD01,2002010000a00000100006010082000080000000100020020001000000400000190008000000802000000018000010e00000000202002008000000200010040402000000400002200000000000000000008000600440200060090000002000000000000010000000002000000000042000061000000012000002800002400000,0100000000f121,050050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040086b3121a09840340b359ad17,0,12,34,0,0,4,44,46,-10.141,-4.129,1,1.0,0.00043982099999999996,+,0.6526,-,0.6526,https://www.genome.jp/dbget-bin/www_bget?dr:D02245
5169,D02354, Thiethylperazine (USAN/INN), Phenothiazine derivatives,R06AD03,RESPIRATORY SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)SCC)CCC[N@@H+]1CC[N@@H+](CC1)C,401.63199999999995,5.4079999999999995,131.555,62.72,34,2,2,XCTYLCDETUVOIP-UHFFFAOYSA-P,C22H31N3S2++,CCSc1ccc2c(c1)N(CCC[NH+]1CC[NH+](CC1)C)c1c(S2)cccc1,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3/p+2",-6.0175,-6.0066,-4.5754,-4.5389,-4.5373,-4.5287,1.5719999999999998,1.5975,1.7331,2.3507,2.3532,D02354_R06AD03,2002010000a00011100006010082000880000000100820020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400102200021040002000000208000600440600060490000002000000000000010100000002002000000042000061006000012000006c00002500000,0100000000f121,030058022500000000000000000000000000000000000000000000000000000000004600c02204,000000000800218400c4b3169a41ae8345a35dad17,0,12,49,0,0,6,58,61,-11.849,-8.386000000000001,0,,2.30173e-05,-,1.4829,-,1.4829,https://www.genome.jp/dbget-bin/www_bget?dr:D02354
5170,D01130, Thiethylperazine maleate (JAN/USP), Phenothiazine derivatives,R06AD03,RESPIRATORY SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)SCC)CCC[N@@H+]1CC[N@@H+](CC1)C,401.63199999999995,5.4079999999999995,131.555,62.72,34,2,2,XCTYLCDETUVOIP-UHFFFAOYSA-P,C22H31N3S2++,CCSc1ccc2c(c1)N(CCC[NH+]1CC[NH+](CC1)C)c1c(S2)cccc1,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3/p+2",-6.0148,-6.0089,-4.5696,-4.5431,-4.5409,-4.5331,1.5749,1.5949,1.7609,2.3425,2.3608,D01130_R06AD03,2002010000a00011100006010082000880000000100820020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400102200021040002000000208000600440600060490000002000000000000010100000002002000000042000061006000012000006c00002500000,0100000000f121,030058022500000000000000000000000000000000000000000000000000000000004600c02204,000000000800218400c4b3169a41ae8345a35dad17,0,12,49,0,0,6,58,61,-11.834000000000001,-8.39,0,,2.3057199999999997e-05,-,1.4829,-,1.4829,https://www.genome.jp/dbget-bin/www_bget?dr:D01130
5171,D02610, Thiethylperazine malate (JAN), Phenothiazine derivatives,R06AD03,RESPIRATORY SYSTEM,c12N(c3c(Sc1cccc2)ccc(c3)SCC)CCC[N@@H+]1CC[N@@H+](CC1)C,401.63199999999995,5.4079999999999995,131.555,62.72,34,2,2,XCTYLCDETUVOIP-UHFFFAOYSA-P,C22H31N3S2++,CCSc1ccc2c(c1)N(CCC[NH+]1CC[NH+](CC1)C)c1c(S2)cccc1,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3/p+2",-6.0504,-6.0155,-4.5881,-4.5825,-4.5791,-4.5513,1.6130000000000002,1.6313,2.3527,2.3739,2.634,D02610_R06AD03,2002010000a00011100006010082000880000000100820020001000000400000190008022100802000000038000010e00002000202002008000000200010040402000000400102200021040002000000208000600440600060490000002000000000000010100000002002000000042000061006000012000006c00002500000,0100000000f121,030058022500000000000000000000000000000000000000000000000000000000004600c02204,000000000800218400c4b3169a41ae8345a35dad17,0,12,49,0,0,6,58,61,-11.835999999999999,-8.392000000000001,0,,2.30065e-05,-,1.4829,-,1.4829,https://www.genome.jp/dbget-bin/www_bget?dr:D02610
5172,D04979, Methdilazine (INN), Phenothiazine derivatives,R06AD04,RESPIRATORY SYSTEM,c1ccc2c(c1)Sc1c(N2C[C@@H]2C[N@@H+](CC2)C)cccc1,297.438,4.4581,97.6397,32.98,23,1,1,HTMIBDQKFHUPSX-AWEZNQCLSA-O,C18H21N2S+,C[NH+]1CCC(C1)CN1c2ccccc2Sc2c1cccc2,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3/p+1/t14-/m0/s1",-6.0331,-4.6489,-4.5927,-4.5781,-2.0441,-1.3559999999999999,1.4471,1.4908,1.5782,1.5816,1.5934,D04979_R06AD04,2002010000a00000100006010082000080000010100020020001000000400000190008000000802000000018000010e001020002020020080000002000100404020000004000022000000000020000000080026004402000e0090000002020000000000010000000102000000000042000061000000012000006800002400000,0100000000f121,060050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040084b7969a49ac8341a34dad17,0,12,33,0,0,2,42,45,-10.4,-3.903,2,,0.016335806,+,1.1199,-,1.1199,https://www.genome.jp/dbget-bin/www_bget?dr:D04979
5173,D04980, Methdilazine hydrochloride (USP), Phenothiazine derivatives,R06AD04,RESPIRATORY SYSTEM,c1ccc2c(c1)Sc1c(N2C[C@@H]2C[N@@H+](CC2)C)cccc1,297.438,4.4581,97.6397,32.98,23,1,1,HTMIBDQKFHUPSX-AWEZNQCLSA-O,C18H21N2S+,C[NH+]1CCC(C1)CN1c2ccccc2Sc2c1cccc2,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3/p+1/t14-/m0/s1",-6.0274,-4.6494,-4.5939,-4.5827,-2.0418,-1.3617,1.4486,1.4924,1.5776,1.5823,1.5942,D04980_R06AD04,2002010000a00000100006010082000080000010100020020001000000400000190008000000802000000018000010e001020002020020080000002000100404020000004000022000000000020000000080026004402000e0090000002020000000000010000000102000000000042000061000000012000006800002400000,0100000000f121,060050020500000000000000000000000000000000000000000000000000000000004600c02204,00000000080001040084b7969a49ac8341a34dad17,0,12,33,0,0,2,42,45,-10.398,-3.903,2,,0.016335117,+,1.1199,-,1.1199,https://www.genome.jp/dbget-bin/www_bget?dr:D04980
5174,D06107, Thiazinamium chloride (USAN), Phenothiazine derivatives,R06AD06,RESPIRATORY SYSTEM,N1(c2c(Sc3c1cccc3)cccc2)C[C@@H]([N+](C)(C)C)C,299.454,4.449,94.3544,28.54,25,0,1,CDXCCYNINPIWGE-AWEZNQCLSA-N,C18H23N2S+,CC([N+](C)(C)C)CN1c2ccccc2Sc2c1cccc2,"InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1/t14-/m0/s1",-4.8199,-4.819,-4.7714,-4.5874,-2.0383,-1.9832,1.4191,1.4603,1.4826,1.5094,1.6858,D06107_R06AD06,2002010000a000000000060100820008800000001000200200030000004000001b0008000000802000000038000010c000000002020020080000002000100404020000004000022000200000000000000080006004402000400a0000002000000000000010000000002000000000042000061000200012000002800002400000,0100000000f121,010050040500000000000000000000000000000000000000000000000000000000004600c02204,00000020080001040046b1101ac18c0340b119ad17,0,12,34,0,0,3,44,46,-10.530999999999999,-4.008,1,0.0,0.024593933,+,0.7806,-,0.7806,https://www.genome.jp/dbget-bin/www_bget?dr:D06107
5175,D01324, Mequitazine (JP17/INN), Phenothiazine derivatives,R06AD07,RESPIRATORY SYSTEM,C1[N@H+]2CC[C@@H]([C@@H]1CN1c3ccccc3Sc3c1cccc3)CC2,323.475,4.8482,105.14,32.98,25,1,1,HOKDBMAJZXIPGC-INIZCTEOSA-O,C20H23N2S+,c1ccc2c(c1)N(CC1C[NH+]3CCC1CC3)c1c(S2)cccc1,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/p+1/t16-/m0/s1",-6.0365,-4.593,-4.5914,-4.5636,-2.0431,-1.3652,1.4613,1.4655,1.5657,1.5663,1.5666,D01324_R06AD07,2022010000a00000100006010082000080000010100020020001000000400000190018000000802020000018000010e001020002020020080000002000100404020000004000022000000000020000000080017004402000e0090000002000000000002010000000002000000000042000061000000012000006800102400000,0100000000f121,06005002050000000000000000000000000000000000000000000000000000000000c600c02204,00000000080001040084b3069a41a08341a34d2d17,0,12,38,0,0,2,46,50,-10.559000000000001,-3.719,1,,0.055234201,+,1.3914,-,1.3914,https://www.genome.jp/dbget-bin/www_bget?dr:D01324
5176,D07401, Oxomemazine (INN), Phenothiazine derivatives,R06AD08,RESPIRATORY SYSTEM,c1ccc2c(c1)S(=O)(=O)c1c(N2C[C@H](C[NH+](C)C)C)cccc1,331.452,2.8973,97.5067,50.2,26,1,2,QTQPVLDZQVPLGV-AWEZNQCLSA-O,C18H23N2O2S+,C[NH+](CC(CN1c2ccccc2S(=O)(=O)c2c1cccc2)C)C,"InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/p+1/t14-/m0/s1",-8.5243,-8.4769,-6.02,-4.718,-4.6157,-4.6157,2.1303,2.3935,2.4,2.5442,2.8934,D07401_R06AD08,2002010000a00000900006010082000080000000100020020001000008400000190008080000802000000018000010e00020000202002008000000200011040402000000400022a00000000000000000008008600460200060090000002000000000000010000000002000000000042000069000000012000002800002400000,0100000000f121,050040020500000000000000000000000000000000000000800000000000000000004640c02204,000000000800451e0487b3123b89844bc2f359ed1f,0,12,34,2,0,4,46,48,-12.082,-3.885,1,0.0,0.003943185,+,0.6113,-,0.6113,https://www.genome.jp/dbget-bin/www_bget?dr:D07401
5177,D07547, Buclizine (INN), Piperazine derivatives,R06AE01,RESPIRATORY SYSTEM,[C@@H]([N@H+]1CC[N@H+](CC1)Cc1ccc(cc1)C(C)(C)C)(c1ccc(cc1)Cl)c1ccccc1,435.04400000000004,6.8489,142.13,8.88,35,2,0,MOYGZHXDRJNJEP-MHZLTWQESA-P,C28H35ClN2++,Clc1ccc(cc1)C([NH+]1CC[NH+](CC1)Cc1ccc(cc1)C(C)(C)C)c1ccccc1,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3/p+2/t27-/m0/s1",-6.9257,-6.0347,-6.0164,-5.8376,-4.5709,-4.5674,2.2086,2.2375,2.3469,2.3607,2.4702,D07547_R06AE01,00060200000004000200060080010008000000c000000400000000e000200000100040022000000000810028000000000000000000000000000000020000000000000000000400000020000066080082008800400000200840080900000100000010000300000000000000000000000000060104000100000000000000800000,0100000000f001,090040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210002467204cac4a08325335dad17,0,18,51,0,0,6,66,69,-15.095,-7.567,1,1.0,0.000947377,+,1.3864,-,1.3864,https://www.genome.jp/dbget-bin/www_bget?dr:D07547
5178,D02089, Buclizine hydrochloride (USAN), Piperazine derivatives,R06AE01,RESPIRATORY SYSTEM,[C@@H]([N@H+]1CC[N@H+](CC1)Cc1ccc(cc1)C(C)(C)C)(c1ccc(cc1)Cl)c1ccccc1,435.04400000000004,6.8489,142.13,8.88,35,2,0,MOYGZHXDRJNJEP-MHZLTWQESA-P,C28H35ClN2++,Clc1ccc(cc1)C([NH+]1CC[NH+](CC1)Cc1ccc(cc1)C(C)(C)C)c1ccccc1,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3/p+2/t27-/m0/s1",-6.9809,-6.0436,-6.0163,-5.8565,-4.5702,-4.562,2.2276,2.2455,2.3475,2.3553,2.4769,D02089_R06AE01,00060200000004000200060080010008000000c000000400000000e000200000100040022000000000810028000000000000000000000000000000020000000000000000000400000020000066080082008800400000200840080900000100000010000300000000000000000000000000060104000100000000000000800000,0100000000f001,090040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210002467204cac4a08325335dad17,0,18,51,0,0,6,66,69,-15.094000000000001,-7.566,1,,0.0009363010000000001,+,1.3864,-,1.3864,https://www.genome.jp/dbget-bin/www_bget?dr:D02089
5179,D03621, Cyclizine (INN), Piperazine derivatives,R06AE03,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)C,268.397,3.3276,93.3634,8.88,24,2,0,UVKZSORBKUEBAZ-UHFFFAOYSA-P,C18H24N2++,C[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/p+2",-7.0348,-6.0359,-6.013,-4.5715,-4.5476,-4.5424,2.2041,2.2051,2.3523,2.3551,2.4984,D03621_R06AE03,00060000000004000200060080010008000000c000000000000000e000000000100040022000000000800028000000000000000000000000000000020000000000000000000400000020000002080000008000400000200840080900000000000010000300000000000000000000000000060104000100000000000000000000,0100000000f001,000040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000002100004432148a40ac8305234da917,0,12,34,0,0,3,44,46,-15.571,-8.253,0,0.0,2.67546e-09,+,0.6539,-,0.6539,https://www.genome.jp/dbget-bin/www_bget?dr:D03621
5180,D02090, Cyclizine lactate (BAN), Piperazine derivatives,R06AE03,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)C,268.397,3.3276,93.3634,8.88,24,2,0,UVKZSORBKUEBAZ-UHFFFAOYSA-P,C18H24N2++,C[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/p+2",-7.0256,-6.037999999999999,-6.0139,-4.5756,-4.5446,-4.5413,2.1972,2.2044,2.3512,2.3547,2.5008,D02090_R06AE03,00060000000004000200060080010008000000c000000000000000e000000000100040022000000000800028000000000000000000000000000000020000000000000000000400000020000002080000008000400000200840080900000000000010000300000000000000000000000000060104000100000000000000000000,0100000000f001,000040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000002100004432148a40ac8305234da917,0,12,34,0,0,3,44,46,-15.572000000000001,-8.253,0,0.0,2.67592e-09,+,0.6539,-,0.6539,https://www.genome.jp/dbget-bin/www_bget?dr:D02090
5181,D03622, Cyclizine hydrochloride (USP), Piperazine derivatives,R06AE03,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)C,268.397,3.3276,93.3634,8.88,24,2,0,UVKZSORBKUEBAZ-UHFFFAOYSA-P,C18H24N2++,C[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/p+2",-7.0277,-6.0364,-6.0127,-4.5729,-4.5432,-4.5389,2.1982,2.2057,2.3501,2.3549,2.4984,D03622_R06AE03,00060000000004000200060080010008000000c000000000000000e000000000100040022000000000800028000000000000000000000000000000020000000000000000000400000020000002080000008000400000200840080900000000000010000300000000000000000000000000060104000100000000000000000000,0100000000f001,000040020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000002100004432148a40ac8305234da917,0,12,34,0,0,3,44,46,-15.573,-8.253,0,0.0,2.67852e-09,+,0.6539,-,0.6539,https://www.genome.jp/dbget-bin/www_bget?dr:D03622
5182,D08163, Meclozine (BAN), Piperazine derivatives,R06AE05,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)Cc1cc(ccc1)C)Cl,392.964,5.8598,127.82600000000001,8.88,29,2,0,OCJYIGYOJCODJL-VWLOTQADSA-P,C25H29ClN2++,Clc1ccc(cc1)C([NH+]1CC[NH+](CC1)Cc1cccc(c1)C)c1ccccc1,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3/p+2/t25-/m0/s1",-7.0136,-6.0401,-6.0274,-5.8224,-4.5559,-4.5457,2.1868,2.2007,2.3523,2.3581,2.5006,D08163_R06AE05,00060200000004000200060080010008000000c000000408000000e000200000100040022000000000810028000000000000000000000000000000020000000008000000000400000020000066080002008800400000200840080900000000000010000300000010000000000100000000060104000100000000000000800000,0100000000f001,010040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210000447204ca4ca08325234dad17,0,18,42,0,0,5,57,60,-15.003,-7.682,1,1.0,0.00025606,+,0.9837,-,0.9837,https://www.genome.jp/dbget-bin/www_bget?dr:D08163
5183,D01317, Meclizine hydrochloride (JAN/USP), Piperazine derivatives,R06AE05,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)Cc1cc(ccc1)C)Cl,392.964,5.8598,127.82600000000001,8.88,29,2,0,OCJYIGYOJCODJL-VWLOTQADSA-P,C25H29ClN2++,Clc1ccc(cc1)C([NH+]1CC[NH+](CC1)Cc1cccc(c1)C)c1ccccc1,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3/p+2/t25-/m0/s1",-7.0325,-6.0382,-6.027,-5.8157,-4.5516,-4.5448,2.2012,2.2061,2.3555,2.3558,2.4962,D01317_R06AE05,00060200000004000200060080010008000000c000000408000000e000200000100040022000000000810028000000000000000000000000000000020000000008000000000400000020000066080002008800400000200840080900000000000010000300000010000000000100000000060104000100000000000000800000,0100000000f001,010040020400000000000000000000000000000000040000000000000000000000000600c02204,000000000000210000447204ca4ca08325234dad17,0,18,42,0,0,5,57,60,-15.045,-7.7589999999999995,1,-1.0,0.000239185,+,0.9837,-,0.9837,https://www.genome.jp/dbget-bin/www_bget?dr:D01317
5184,D01773, Oxatomide (JAN/USAN/INN), Piperazine derivatives,R06AE06,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCCn1c(=O)[nH]c2c1cccc2,428.569,4.4311,139.877,46.67,33,3,2,BAINIUMDFURPJM-UHFFFAOYSA-P,C27H32N4O++,O=c1[nH]c2c(n1CCC[NH+]1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)cccc2,"InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)/p+2",-6.9851,-6.0529,-6.0209,-4.6661,-4.5635,-4.5577,2.1853,2.1918,2.3585,2.3623,2.5003,D01773_R06AE06,8006000000000c401200460080010008000000c000000000000000e000000000100060022100802130800038000000c00002000000006000000000020000100004000c00c00430000020c40102980000008001400c80200de00909800001200400100003000000008040000040000c0000060104000110000004000002000000,0100000000f001,020040020400000000000000000000000040040000008d00000000000000000000004640c02a04,000000001000210001d436869a63b1c305e36d2f1f,0,22,45,1,0,7,64,68,-13.155999999999999,-7.888,0,1.0,0.000151067,+,1.756,-,1.756,https://www.genome.jp/dbget-bin/www_bget?dr:D01773
5185,D07662, Cetirizine (INN), Piperazine derivatives,R06AE07,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCC(=O)O)Cl,390.904,3.4524,115.65100000000001,55.41,29,3,3,ZKLPARSLTMPFCP-NRFANRHFSA-P,C21H27ClN2O3++,OC(=O)COCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+2/t21-/m0/s1",-6.9569,-6.0437,-5.9774,-4.5886,-4.5721,-4.5643,2.3675,2.3677,2.3791,2.5059,2.5612,D07662_R06AE07,00060200000004000200060080030008210000c000000400000000e0002400001400400a20000016008b002800000000000000000000000000000082000000100800091008141000002000006688000200c800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0500000c30f003,008040020400000000008800000000000000000000040000000000000000000000000600c02a04,000000000000210080447244ca54a0a72d274f7f1f,0,12,43,1,0,8,54,56,-9.369,-5.609,1,0.0,0.001525997,+,0.7653,-,0.7653,https://www.genome.jp/dbget-bin/www_bget?dr:D07662
5186,D00664, Cetirizine hydrochloride (JP17/USAN), Piperazine derivatives,R06AE07,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCC(=O)O)Cl,390.904,3.4524,115.65100000000001,55.41,29,3,3,ZKLPARSLTMPFCP-NRFANRHFSA-P,C21H27ClN2O3++,OC(=O)COCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+2/t21-/m0/s1",-7.0338,-6.0394,-6.0163,-4.5695,-4.5605,-4.551,2.3578,2.36,2.4719,2.4957,2.5668,D00664_R06AE07,00060200000004000200060080030008210000c000000400000000e0002400001400400a20000016008b002800000000000000000000000000000082000000100800091008141000002000006688000200c800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0500000c30f003,008040020400000000008800000000000000000000040000000000000000000000000600c02a04,000000000000210080447244ca54a0a72d274f7f1f,0,12,43,1,0,8,54,56,-9.368,-5.609,1,1.0,0.001523686,+,0.7653,-,0.7653,https://www.genome.jp/dbget-bin/www_bget?dr:D00664
5187,D07402, Levocetirizine (USAN/INN), Piperazine derivatives,R06AE09,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCC(=O)O)Cl,390.904,3.4524,115.65100000000001,55.41,29,3,3,ZKLPARSLTMPFCP-OAQYLSRUSA-P,C21H27ClN2O3++,OC(=O)COCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+2/t21-/m1/s1",-7.0086,-6.0491,-5.9926,-4.5632,-4.5546,-4.546,2.3727,2.3742,2.3743,2.4909,2.6343,D07402_R06AE09,00060200000004000200060080030008210000c000000400000000e0002400001400400a20000016008b002800000000000000000000000000000082000000100800091008141000002000006688000200c800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0500000c30f003,008040020400000000008800000000000000000000040000000000000000000000000600c02a04,000000000000210080447244ca54a0a72d274f7f1f,0,12,43,1,0,8,54,56,-9.371,-5.609,1,1.0,0.00152386,+,0.7653,-,0.7653,https://www.genome.jp/dbget-bin/www_bget?dr:D07402
5188,D08118, Levocetirizine hydrochloride (JAN/USAN), Piperazine derivatives,R06AE09,RESPIRATORY SYSTEM,c1c(ccc(c1)[C@@H](c1ccccc1)[N@@H+]1CC[N@@H+](CC1)CCOCC(=O)O)Cl,390.904,3.4524,115.65100000000001,55.41,29,3,3,ZKLPARSLTMPFCP-OAQYLSRUSA-P,C21H27ClN2O3++,OC(=O)COCC[NH+]1CC[NH+](CC1)C(c1ccc(cc1)Cl)c1ccccc1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+2/t21-/m1/s1",-7.0245,-6.0441,-5.9864,-4.5644,-4.5502,-4.5498,2.3602,2.3637,2.38,2.4894,2.7097,D08118_R06AE09,00060200000004000200060080030008210000c000000400000000e0002400001400400a20000016008b002800000000000000000000000000000082000000100800091008141000002000006688000200c800400000200840080900000000000010000300000000000000008000000000060184000100000000000000800000,0500000c30f003,008040020400000000008800000000000000000000040000000000000000000000000600c02a04,000000000000210080447244ca54a0a72d274f7f1f,0,12,43,1,0,8,54,56,-9.37,-5.607,1,1.0,0.001523904,+,0.7653,-,0.7653,https://www.genome.jp/dbget-bin/www_bget?dr:D08118
5189,D07765, Cyproheptadine (INN), Other antihistamines for systemic use,R06AX02,RESPIRATORY SYSTEM,C1=Cc2c(/C(=C/3\CC[N@@H+](CC3)C)/c3c1cccc3)cccc2,288.406,4.85,99.6427,4.44,22,1,0,JJCFRYNCJDLXIK-UHFFFAOYSA-O,C21H22N+,C[NH+]1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3/p+1",-6.0432,-4.6243,-4.5657,-4.5654,-0.8017,-0.8014,1.4419,1.4593,1.4594,1.5724,1.5728,D07765_R06AX02,0006000000000004020c0600800040020000005000204000000000a0000000011000500000c00000000000180000100001020000000000004000000200040004020000000300000000002000020000000880015000012008c8081800000000040004000180040880000000000000002200060100000310000001000900020800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004640c30204,0000040000000320000c32149e412c8301834da117,0,12,33,2,0,0,44,47,-11.113,-3.7739999999999996,0,0.0,0.089329906,+,0.8816,-,0.8816,https://www.genome.jp/dbget-bin/www_bget?dr:D07765
5190,D02234, Cyproheptadine hydrochloride (JP17/USP), Other antihistamines for systemic use,R06AX02,RESPIRATORY SYSTEM,C1=Cc2c(/C(=C/3\CC[N@@H+](CC3)C)/c3c1cccc3)cccc2,288.406,4.85,99.6427,4.44,22,1,0,JJCFRYNCJDLXIK-UHFFFAOYSA-O,C21H22N+,C[NH+]1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3/p+1",-6.0432,-4.6243,-4.5657,-4.5654,-0.8017,-0.8014,1.4419,1.4593,1.4594,1.5724,1.5728,D02234_R06AX02,0006000000000004020c0600800040020000005000204000000000a0000000011000500000c00000000000180000100001020000000000004000000200040004020000000300000000002000020000000880015000012008c8081800000000040004000180040880000000000000002200060100000310000001000900020800,0100000000f001,120040020400000000000000000000000000000000000000000000000000000000004640c30204,0000040000000320000c32149e412c8301834da117,0,12,33,2,0,0,44,47,-11.113,-3.775,0,2.0,0.089341566,+,0.8816,-,0.8816,https://www.genome.jp/dbget-bin/www_bget?dr:D02234
5191,D08353, Phenindamine (INN), Other antihistamines for systemic use,R06AX04,RESPIRATORY SYSTEM,[C@@H]1(C2=C(c3c1cccc3)CC[N@H+](C2)C)c1ccccc1,262.369,4.0733,88.7597,4.44,20,1,0,ISFHAYSTHMVOJR-LJQANCHMSA-O,C19H20N+,C[NH+]1CCC2=C(C1)C(c1ccccc1)c1c2cccc1,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3/p+1/t19-/m1/s1",-6.0508,-5.8136,-4.6252,-4.5599,-1.7228,-1.4957,1.5328,1.5781,1.5961,1.8432,1.8435,D08353_R06AX04,00260000000000040a040600800040020000015000204800010000a0000000011000400000c000000000001800011000010a8000020030004001100200040020020004020300000000002100020100000080004100003008c008f820000800000304002181041880020080000000002000060100010310000082000810000800,0100000000f001,160040020400000000000000000000000000000000000000000000000000000000004640c02204,0000000200000320000c32949e412c8301834da117,0,12,30,1,0,1,40,43,-12.118,-3.898,2,0.0,0.020883073999999998,+,0.9735,-,0.9735,https://www.genome.jp/dbget-bin/www_bget?dr:D08353
5192,D02148, Phenindamine tartrate (USAN), Other antihistamines for systemic use,R06AX04,RESPIRATORY SYSTEM,[C@@H]1(C2=C(c3c1cccc3)CC[N@H+](C2)C)c1ccccc1,262.369,4.0733,88.7597,4.44,20,1,0,ISFHAYSTHMVOJR-LJQANCHMSA-O,C19H20N+,C[NH+]1CCC2=C(C1)C(c1ccccc1)c1c2cccc1,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3/p+1/t19-/m1/s1",-6.0508,-5.8136,-4.6252,-4.5599,-1.7228,-1.4957,1.5328,1.5781,1.5961,1.8432,1.8435,D02148_R06AX04,00260000000000040a040600800040020000015000204800010000a0000000011000400000c000000000001800011000010a8000020030004001100200040020020004020300000000002100020100000080004100003008c008f820000800000304002181041880020080000000002000060100010310000082000810000800,0100000000f001,160040020400000000000000000000000000000000000000000000000000000000004640c02204,0000000200000320000c32949e412c8301834da117,0,12,30,1,0,1,40,43,-12.113,-3.8960000000000004,2,1.0,0.020881321,+,0.9735,-,0.9735,https://www.genome.jp/dbget-bin/www_bget?dr:D02148
5193,D08648, Triprolidine (INN), Other antihistamines for systemic use,R06AX07,RESPIRATORY SYSTEM,C(=C(\c1ccc(cc1)C)/c1ccccn1)\C[NH+]1CCCC1,279.399,4.0696,93.4757,17.33,24,1,1,CBEQULMOCCWAQT-WOJGMQOQSA-O,C19H23N2+,Cc1ccc(cc1)C(=CC[NH+]1CCCC1)c1ccccn1,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/p+1/b18-11+",-6.1118,-5.9588,-4.6081,-4.5693,-2.2379,-1.7695,1.5939,1.6072,1.6263,1.8162,1.8267,D08648_R06AX07,000600220000000402000600840040000002015040204800000000a2000000001000410000008020008000180000004101028000000020000101001200040020840004020200020002000100020800000088804004802008c008480000010000081400298000108010000800200004000006011000411000008000000a020000,0100000000f001,130040020400000000000000000000000000000000009000000000000000000000000640c03200,0000000000000300010c36868e40a08301234dad17,0,12,33,1,0,4,44,46,-12.05,-3.582,0,1.0,0.054440796,+,0.6838,-,0.6838,https://www.genome.jp/dbget-bin/www_bget?dr:D08648
5194,D01782, Triprolidine hydrochloride (USP), Other antihistamines for systemic use,R06AX07,RESPIRATORY SYSTEM,C(=C(\c1ccc(cc1)C)/c1ccccn1)\C[NH+]1CCCC1,279.399,4.0696,93.4757,17.33,24,1,1,CBEQULMOCCWAQT-WOJGMQOQSA-O,C19H23N2+,Cc1ccc(cc1)C(=CC[NH+]1CCCC1)c1ccccn1,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/p+1/b18-11+",-6.0243,-5.9173,-4.6767,-4.6215,-2.2386,-1.7526,1.5722,1.5725,1.5879,1.8176,1.819,D01782_R06AX07,000600220000000402000600840040000002015040204800000000a2000000001000410000008020008000180000004101028000000020000101001200040020840004020200020002000100020800000088804004802008c008480000010000081400298000108010000800200004000006011000411000008000000a020000,0100000000f001,130040020400000000000000000000000000000000009000000000000000000000000640c03200,0000000000000300010c36868e40a08301234dad17,0,12,33,1,0,4,44,46,-12.050999999999998,-3.5810000000000004,0,,0.054450374,+,0.6838,-,0.6838,https://www.genome.jp/dbget-bin/www_bget?dr:D01782
5195,D07403, Pyrrobutamine (BAN), Other antihistamines for systemic use,R06AX08,RESPIRATORY SYSTEM,c1ccc(cc1)/C(=C/C[NH+]1CCCC1)/Cc1ccc(cc1)Cl,312.856,5.2139999999999995,100.53200000000001,4.44,23,1,0,WDYYVNNRTDZKAZ-XDHOZWIPSA-O,C20H23ClN+,Clc1ccc(cc1)CC(=CC[NH+]1CCCC1)c1ccccc1,"InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2/p+1/b19-12+",-6.0416,-5.8832,-4.5824,-4.5805,-1.7821,-0.9783,1.5701,1.5863,1.6031,1.8246,1.8307,D07403_R06AX08,000702020000000402000600000040000000015000204c00000000800020000010004000008000000001101800010000010a8000000000000001100200040020000000000200000000000100260100020088004000003008c008d800000800000004002081001080100080000000000000060100000110010080000010800000,0100000000f001,120040020400000000000000000000000000000000040000000000000000000000000640c02200,0000000000000300000c7686cc44208321034d2517,0,12,34,1,0,5,45,47,-12.609000000000002,-3.753,0,1.0,0.268815994,+,3.7655,-,3.7655,https://www.genome.jp/dbget-bin/www_bget?dr:D07403
5196,D07482, Azatadine (INN), Other antihistamines for systemic use,R06AX09,RESPIRATORY SYSTEM,C1c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccn3)cccc2,291.41,3.8598,96.3277,17.33,24,1,1,SEBMTIQKRHYNIT-UHFFFAOYSA-O,C20H23N2+,C[NH+]1CCC(=C2c3ccccc3CCc3c2nccc3)CC1,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3/p+1",-6.0454,-4.6222,-4.5591,-4.5426,-2.224,-1.2409,1.4575,1.4595,1.5702,1.5724,1.5829,D07482_R06AX09,0007012000000004020c0600840040020082005040204008010000a2000004011008510800c0c020008010180001104001020000000430004500000a00040000860004020200020200082000020800000080815004803008c808180000084004091400098024088002200800201004221006811000431000004000090a000800,0100000000f001,120040020400000000000000000000000000000000009000000000000000000000004640c01204,0000040000000320010c32149e41ac8301a34da917,0,12,35,1,0,0,45,48,-12.161,-3.685,0,0.0,0.061572354,+,0.9484,-,0.9484,https://www.genome.jp/dbget-bin/www_bget?dr:D07482
5197,D00662, Azatadine maleate (USP), Other antihistamines for systemic use,R06AX09,RESPIRATORY SYSTEM,C1c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccn3)cccc2,291.41,3.8598,96.3277,17.33,24,1,1,SEBMTIQKRHYNIT-UHFFFAOYSA-O,C20H23N2+,C[NH+]1CCC(=C2c3ccccc3CCc3c2nccc3)CC1,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3/p+1",-6.0454,-4.6222,-4.5591,-4.5426,-2.224,-1.2409,1.4575,1.4595,1.5702,1.5724,1.5829,D00662_R06AX09,0007012000000004020c0600840040020082005040204008010000a2000004011008510800c0c020008010180001104001020000000430004500000a00040000860004020200020200082000020800000080815004803008c808180000084004091400098024088002200800201004221006811000431000004000090a000800,0100000000f001,120040020400000000000000000000000000000000009000000000000000000000004640c01204,0000040000000320010c32149e41ac8301a34da917,0,12,35,1,0,0,45,48,-12.162,-3.685,0,0.0,0.061569045999999995,+,0.9484,-,0.9484,https://www.genome.jp/dbget-bin/www_bget?dr:D00662
5198,D00234, Astemizole (JAN/USP/INN), Other antihistamines for systemic use,R06AX11,RESPIRATORY SYSTEM,n1(c2c(nc1N[C@H]1CC[N@H+](CC1)CCc1ccc(cc1)OC)cccc2)Cc1ccc(cc1)F,459.57800000000003,5.5764,140.226,43.52,35,2,4,GXDALQBWZGODGZ-UHFFFAOYSA-O,C28H32FN4O+,COc1ccc(cc1)CC[NH+]1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)/p+1",-6.0253,-4.7404,-4.5937,-4.5826,-4.5595,-3.1223,1.4537,1.589,1.5995,1.6111,2.7523,D00234_R06AX11,8026000000100c401a984600180200050100001000801202000000800000000010007081410880213080205c000000c00102b2000000600000410002000000000c000c00c10020010010400002180000008001500c802009e00908209001100000101020008004021240000040100c0000060102080110200806800106000000,0100000050f021,020042020400000000000000000000000000000000089800000000000000000000004600c03a04,000000010002110001d476969a47a1e375e3edbd1f,1,22,48,0,0,8,66,70,-10.782,-3.804,0,0.0,0.8068002459999999,+,2.574,-,2.574,https://www.genome.jp/dbget-bin/www_bget?dr:D00234
5199,D00521, Terfenadine (JAN/USAN/INN), Other antihistamines for systemic use,R06AX12,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H]1CC[N@@H+](CC1)CCC[C@H](c1ccc(cc1)C(C)(C)C)O)O,472.681,6.5979,150.781,44.9,44,3,2,GUGOEEXESWIERI-SSEXGKCCSA-O,C32H42NO2+,OC(c1ccc(cc1)C(C)(C)C)CCC[NH+]1CCC(CC1)C(c1ccccc1)(c1ccccc1)O,"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/p+1/t30-/m1/s1",-6.0651,-4.9061,-4.652,-4.4752,-3.8703,-2.9691,1.5736,1.6507,1.6697,1.8905,2.7183,D00521_R06AX12,002e00000000004002000600800000000000005000000000000000a0000000001000500000000001200000180001000001020000000040000000000200000000080008000000000000002000020000000088015000003008c0080800000910000000002100000000004000000000100000060500020110000000000100000000,0100006c00f001,0f6840020400000000000000000000000000000000000000000000000000000000000600c02204,0000000000000100020632068ac020830d17ddf51f,0,18,62,0,0,9,77,80,-11.818,-3.798,1,2.0,0.9338140490000001,+,2.0492,-,2.0492,https://www.genome.jp/dbget-bin/www_bget?dr:D00521
5200,D00364, Loratadine (JAN/USAN/INN), Other antihistamines for systemic use,R06AX13,RESPIRATORY SYSTEM,C1c2c(C(=C3CCN(CC3)C(=O)OCC)c3c(C1)cccn3)ccc(c2)Cl,382.88300000000004,4.8257,111.663,42.43,27,0,4,JCCNYMKQOSZNPW-UHFFFAOYSA-N,C22H23ClN2O2,CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",-5.3446,-5.236000000000001,-3.5469,-2.2314,-1.9480000000000002,-1.9477,1.3233,1.3559,1.3788,1.5477,1.7934,D00364_R06AX13,0007032000000084030c0600840240020082205040204408030000a2002004011808550800c0c020508d14180001104001020000000c34404500080a000402008e001e020200028200082000268800020088815004803008c8081a00000a4004091400098024088402a008002010042210068110004310000050400d0a800800,0000000030b001,130000000000000000000000000000000040000100049000000000000000000000004640403000,0000440000000220010c70005e77b2a721a30dff1f,0,12,39,2,0,3,50,53,-9.062999999999999,-0.622,0,1.0,0.952535212,+,1.0619,-,1.0619,https://www.genome.jp/dbget-bin/www_bget?dr:D00364
5201,D08161, Mebhydrolin (INN), Other antihistamines for systemic use,R06AX15,RESPIRATORY SYSTEM,c1ccc2c(c1)c1c(n2Cc2ccccc2)CC[N@@H+](C1)C,277.383,3.8296,92.8927,9.37,21,1,1,FQQIIPAOSKSOJM-UHFFFAOYSA-O,C19H21N2+,C[NH+]1CCc2c(C1)c1ccccc1n2Cc1ccccc1,"InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1",-6.1886,-6.0606,-4.6242,-4.5446,-1.296,-1.2015,1.5721,1.5926,1.6154,1.9651,1.9704,D08161_R06AX15,200600a000820c204a000600040100040000009000000018000000c0005004001004508301408020188820180000024000020100000028002400808a08020200040004024004020100806000a21800000080814004802009c00a081000001080001000020040000000000000201004001006011020011000005a00000a000014,0100000000f001,020040020400000000000000000000000000000000008800000000000000000000004600c02204,0000000000000100018436949a41ac8301a34dad17,0,16,29,0,0,2,42,45,-11.677999999999999,-3.827,1,-1.0,0.015806437,+,0.9061,-,0.9061,https://www.genome.jp/dbget-bin/www_bget?dr:D08161
5202,D01786, Mebhydrolin napadisilate (JAN), Other antihistamines for systemic use,R06AX15,RESPIRATORY SYSTEM,c1ccc2c(c1)c1c(n2Cc2ccccc2)CC[N@@H+](C1)C,277.383,3.8296,92.8927,9.37,21,1,1,FQQIIPAOSKSOJM-UHFFFAOYSA-O,C19H21N2+,C[NH+]1CCc2c(C1)c1ccccc1n2Cc1ccccc1,"InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1",-6.1875,-6.0613,-4.6234,-4.5446,-1.2957,-1.2013,1.5719,1.5922,1.6156,1.9655,1.97,D01786_R06AX15,200600a000820c204a000600040100040000009000000018000000c0005004001004508301408020188820180000024000020100000028002400808a08020200040004024004020100806000a21800000080814004802009c00a081000001080001000020040000000000000201004001006011020011000005a00000a000014,0100000000f001,020040020400000000000000000000000000000000008800000000000000000000004600c02204,0000000000000100018436949a41ac8301a34dad17,0,16,29,0,0,2,42,45,-11.677999999999999,-3.827,1,0.0,0.015801756,+,0.9061,-,0.9061,https://www.genome.jp/dbget-bin/www_bget?dr:D01786
5203,D07404, Deptropine (INN), Other antihistamines for systemic use,R06AX16,RESPIRATORY SYSTEM,c12C(c3c(CCc1cccc2)cccc3)O[C@H]1C[C@@H]2CC[C@@H]([N@H+]2C)C1,334.475,4.6685,106.8,13.67,29,1,1,ZWPODSUQWXAZNC-ACDBMABISA-O,C23H28NO+,C[NH+]1C2CCC1CC(C2)OC1c2ccccc2CCc2c1cccc2,"InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/p+1/t18-,19+,20-",-5.9924,-4.6483,-4.6069,-4.5754,-3.1233,-2.06,1.4352,1.5563,1.5593,1.5616,1.5949,D07404_R06AX16,002700020000024002000600810200020010005000000800012200a00104000010085000804040013000101820050000010200000020d000000000020000a00008100802000000000000a900020000000088015000003008c0080800000900040100002100041000124400001000080000070100000110000000000100000000,0100000030f001,02804002040000000000000000000000000000000000000000000000000000000000c600c02204,000004000000010000041496934928e309c1cdb81f,0,12,45,0,0,2,53,57,-11.605,-3.716,2,1.0,0.008589663,+,1.4495,-,1.4495,https://www.genome.jp/dbget-bin/www_bget?dr:D07404
5204,D07790, Deptropine citrate, Other antihistamines for systemic use,R06AX16,RESPIRATORY SYSTEM,c12C(c3c(CCc1cccc2)cccc3)O[C@H]1C[C@@H]2CC[C@@H]([N@H+]2C)C1,334.475,4.6685,106.8,13.67,29,1,1,ZWPODSUQWXAZNC-ACDBMABISA-O,C23H28NO+,C[NH+]1C2CCC1CC(C2)OC1c2ccccc2CCc2c1cccc2,"InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/p+1/t18-,19+,20-",-5.9986,-4.6241,-4.6116,-4.5714,-3.0938,-1.8423,1.4389,1.5476,1.5602,1.5626,1.5878,D07790_R06AX16,002700020000024002000600810200020010005000000800012200a00104000010085000804040013000101820050000010200000020d000000000020000a00008100802000000000000a900020000000088015000003008c0080800000900040100002100041000124400001000080000070100000110000000000100000000,0100000030f001,02804002040000000000000000000000000000000000000000000000000000000000c600c02204,000004000000010000041496934928e309c1cdb81f,0,12,45,0,0,2,53,57,-11.607999999999999,-3.727,2,0.0,0.008572609,+,1.4495,-,1.4495,https://www.genome.jp/dbget-bin/www_bget?dr:D07790
5205,D08105, Ketotifen (INN), Other antihistamines for systemic use,R06AX17,RESPIRATORY SYSTEM,C1(=O)c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccc3)ccs2,310.433,4.1665,96.8312,49.75,21,1,2,ZCVMWBYGMWKGHF-UHFFFAOYSA-O,C19H20NOS+,C[NH+]1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1",-6.0386,-4.6194,-4.579,-4.5754,-3.9622,-1.3027,1.443,1.4609,1.4621,1.5734,1.5744,D08105_R06AX17,104fc1002020008c020c06008000c0020400005000304100010100a4005000031408501000c04000c00a985c00091000054200000020140048000082000403050200000002300041010020001a800101809001d000023008c84858000008000401040001c004088002a000000400102200060180020b50000008000940000914,1500000000f001,12004002040001000000000000000000000100000000c000000000000000000000004640c00a05,0000040008000320000cb7949e41acc309c3cda31f,0,11,32,2,0,0,42,45,-11.925999999999998,-3.9010000000000002,0,2.0,0.0666513,-,1.2830000000000001,-,1.2830000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D08105
5206,D08105, Ketotifen (INN), Other antiallergics,S01GX08,SENSORY ORGANS,C1(=O)c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccc3)ccs2,310.433,4.1665,96.8312,49.75,21,1,2,ZCVMWBYGMWKGHF-UHFFFAOYSA-O,C19H20NOS+,C[NH+]1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1",-6.0386,-4.6194,-4.579,-4.5754,-3.9622,-1.3027,1.443,1.4609,1.4621,1.5734,1.5744,D08105_S01GX08,104fc1002020008c020c06008000c0020400005000304100010100a4005000031408501000c04000c00a985c00091000054200000020140048000082000403050200000002300041010020001a800101809001d000023008c84858000008000401040001c004088002a000000400102200060180020b50000008000940000914,1500000000f001,12004002040001000000000000000000000100000000c000000000000000000000004640c00a05,0000040008000320000cb7949e41acc309c3cda31f,0,11,32,2,0,0,42,45,-11.925999999999998,-3.9010000000000002,0,2.0,0.0666513,-,1.2830000000000001,-,1.2830000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D08105
5207,D01332, Ketotifen fumarate (JP17/USAN), Other antihistamines for systemic use,R06AX17,RESPIRATORY SYSTEM,C1(=O)c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccc3)ccs2,310.433,4.1665,96.8312,49.75,21,1,2,ZCVMWBYGMWKGHF-UHFFFAOYSA-O,C19H20NOS+,C[NH+]1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1",-6.0386,-4.6194,-4.579,-4.5754,-3.9622,-1.3027,1.443,1.4609,1.4621,1.5734,1.5744,D01332_R06AX17,104fc1002020008c020c06008000c0020400005000304100010100a4005000031408501000c04000c00a985c00091000054200000020140048000082000403050200000002300041010020001a800101809001d000023008c84858000008000401040001c004088002a000000400102200060180020b50000008000940000914,1500000000f001,12004002040001000000000000000000000100000000c000000000000000000000004640c00a05,0000040008000320000cb7949e41acc309c3cda31f,0,11,32,2,0,0,42,45,-11.925999999999998,-3.9,0,,0.066653073,-,1.2830000000000001,-,1.2830000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01332
5208,D01332, Ketotifen fumarate (JP17/USAN), Other antiallergics,S01GX08,SENSORY ORGANS,C1(=O)c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3c(C1)cccc3)ccs2,310.433,4.1665,96.8312,49.75,21,1,2,ZCVMWBYGMWKGHF-UHFFFAOYSA-O,C19H20NOS+,C[NH+]1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1",-6.0386,-4.6194,-4.579,-4.5754,-3.9622,-1.3027,1.443,1.4609,1.4621,1.5734,1.5744,D01332_S01GX08,104fc1002020008c020c06008000c0020400005000304100010100a4005000031408501000c04000c00a985c00091000054200000020140048000082000403050200000002300041010020001a800101809001d000023008c84858000008000401040001c004088002a000000400102200060180020b50000008000940000914,1500000000f001,12004002040001000000000000000000000100000000c000000000000000000000004640c00a05,0000040008000320000cb7949e41acc309c3cda31f,0,11,32,2,0,0,42,45,-11.925999999999998,-3.9,0,,0.066653073,-,1.2830000000000001,-,1.2830000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01332
5209,D02760, Acrivastine (USAN/INN), Other antihistamines for systemic use,R06AX18,RESPIRATORY SYSTEM,C(=C(\c1cccc(n1)/C=C/C(=O)O)/c1ccc(cc1)C)/C[NH+]1CCCC1,349.44599999999997,4.1674,110.146,54.63,27,2,3,PWACSDKDOHSSQD-IUTFFREVSA-O,C22H25N2O2+,OC(=O)C=Cc1cccc(n1)C(=CC[NH+]1CCCC1)c1ccc(cc1)C,"InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/p+1/b12-11+,20-13+",-6.0476,-5.8732,-4.9412,-4.7258,-4.5858,-4.5698,1.7722,1.8274,1.8471,2.0194,2.3643,D02760_R06AX18,000600220000000402000600840040800012015040204800000000a2001800001000450000008020008a001800000041010280001880210001010012008400208c000c0202000200020001000288000c0088804004802008c008480800018001081400298000108010001804210004000006011000411000008000000a020000,0500000c00f003,130040020400000000008800000000000001000000009000000000000000000000000640c37a00,0000000000000300010c36868e40a08705274dff1f,0,12,38,3,0,6,51,53,-6.579,-1.8130000000000002,0,,0.006262177,+,0.7788,-,0.7788,https://www.genome.jp/dbget-bin/www_bget?dr:D02760
5210,D07405, Tritoqualine (INN), Other antihistamines for systemic use,R06AX21,RESPIRATORY SYSTEM,c12c(cc3c(c1OC)[C@@H]([N@H+](CC3)C)[C@H]1c3c(C(=O)O1)c(c(c(c3OCC)OCC)OCC)N)OCO2,501.54900000000004,4.3762,136.157,112.14,42,2,9,IRGJVQIJENCTQF-TZIWHRDSSA-O,C26H33N2O8+,CCOc1c2c(C(=O)OC2C2[NH+](C)CCc3c2c(OC)c2c(c3)OCO2)c(c(c1OCC)OCC)N,"InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3/p+1/t19-,21-/m1/s1",-6.02,-5.7345,-5.0923,-5.0877,-4.5679,-4.5581,1.8176,1.8726,1.9962,2.0394,2.3229,D07405_R06AX21,00270102004004e40a0c060000834505010000a000007e00012200c0002404401485448100404033608b3238200fc740010e02800000090424820002000a06d808e028224d540e018018212882c88002c0998040041034484818180080096000499e00020000044202c101ccf11100800006a19009071120080800ce0b000004,0500000070f025,0300420a040080400000a000000000004003000000000000000000000000000000004640c03204,000000080000012180043ed59b51af6754fbffff1f,0,12,60,1,0,8,69,73,-11.333,-3.742,3,0.0,0.42938718200000003,+,3.5507,-,3.5507,https://www.genome.jp/dbget-bin/www_bget?dr:D07405
5211,D01478, Ebastine (JP17/USAN/INN), Other antihistamines for systemic use,R06AX22,RESPIRATORY SYSTEM,c1(ccc(cc1)C(C)(C)C)C(=O)CCC[N@H+]1CC[C@@H](OC(c2ccccc2)c2ccccc2)CC1,470.666,7.3697,150.08100000000002,30.74,42,1,2,MJJALKDDGIKVBE-UHFFFAOYSA-O,C32H40NO2+,O=C(c1ccc(cc1)C(C)(C)C)CCC[NH+]1CCC(CC1)OC(c1ccccc1)c1ccccc1,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3/p+1",-6.0261,-4.5932,-4.5357,-4.526,-3.1408,-2.762,1.4583,1.5796,1.5874,1.5893,2.0735,D01478_R06AX22,00268002000000c002000600800200000000005000000800002000a0010400001400500080000001200202182001000001020000000080000000000200002000080008020000000000002900028000040098015000003008c0080800000910000000002100000000004000001000000000060140020110000008000100000200,1500000030f001,0b8040020400010000000000000000000001000000000000000000000000000000000640c02a05,0000000000000100020632068bc020e30953ddf71f,0,18,59,1,0,10,75,78,-11.83,-3.844,0,0.0,0.944690347,+,1.9406,-,1.9406,https://www.genome.jp/dbget-bin/www_bget?dr:D01478
5212,D07406, Pimethixene (INN), Other antihistamines for systemic use,R06AX23,RESPIRATORY SYSTEM,c1ccc2c(c1)C(=C1CC[NH+](CC1)C)c1c(S2)cccc1,294.434,4.8308,94.8377,29.74,21,1,1,NZLVRVYNQYGMAB-UHFFFAOYSA-O,C19H20NS+,C[NH+]1CCC(=C2c3ccccc3Sc3c2cccc3)CC1,"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3/p+1",-6.0373,-4.6186,-4.5982,-4.5943,-0.7808,-0.7781,1.4593,1.4605,1.4624,1.5739,1.5768,D07406_R06AX23,2006010000000004020c0700800240000010005000204000000000a4002000011900500000808000000000180000008001020000000020004400000200140004000000000200000001000000020000080080017000042008c8081800800000000244000180000880200010080020060000061100000312000002800900000000,0100000000f101,120050020400000000000000000000000000000000000000000000000000000000004640c00200,0000000008000324000cb3149e41ac8301834da117,0,12,31,1,0,0,41,44,-10.7,-3.832,0,1.0,0.11930947,+,0.8881,-,0.8881,https://www.genome.jp/dbget-bin/www_bget?dr:D07406
5213,D07900, Epinastine (INN), Other antihistamines for systemic use,R06AX24,RESPIRATORY SYSTEM,[C@H]12c3c(Cc4c(N1C(=[NH]C2)N)cccc4)cccc3,250.31799999999998,2.8819,84.4561,53.11,19,2,2,OLPPMJZHNMZOSV-HNNXBMFYSA-N,C16H16N3,NC1=[NH]CC2N1c1ccccc1Cc1c2cccc1,"InChI=1S/C16H16N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15,18H,9-10,17H2/t15-/m0/s1",-10.0249,-8.4652,-6.1878,-6.1824,-6.0541,-5.4089,3.0161,3.0810000000000004,3.1455,3.2649,3.5823,D07900_R06AX24,004601a420000600020006009081280e801000d000000040000000a080001000100154811040012000800138002032404000040000001008030000020088240080001000400002000c0020008328000000c0804014002019520e08000000000001300003000403004200080020000000000e011020010040100000004a400000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600400804,000004010004000000701e861843c08354a1492917,0,12,25,1,0,0,35,38,-12.817,-5.19,1,0.0,0.006364862,+,0.8789,-,0.8789,https://www.genome.jp/dbget-bin/www_bget?dr:D07900
5214,D07900, Epinastine (INN), Other antiallergics,S01GX10,SENSORY ORGANS,[C@H]12c3c(Cc4c(N1C(=[NH]C2)N)cccc4)cccc3,250.31799999999998,2.8819,84.4561,53.11,19,2,2,OLPPMJZHNMZOSV-HNNXBMFYSA-N,C16H16N3,NC1=[NH]CC2N1c1ccccc1Cc1c2cccc1,"InChI=1S/C16H16N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15,18H,9-10,17H2/t15-/m0/s1",-10.0249,-8.4652,-6.1878,-6.1824,-6.0541,-5.4089,3.0161,3.0810000000000004,3.1455,3.2649,3.5823,D07900_S01GX10,004601a420000600020006009081280e801000d000000040000000a080001000100154811040012000800138002032404000040000001008030000020088240080001000400002000c0020008328000000c0804014002019520e08000000000001300003000403004200080020000000000e011020010040100000004a400000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600400804,000004010004000000701e861843c08354a1492917,0,12,25,1,0,0,35,38,-12.817,-5.19,1,0.0,0.006364862,+,0.8789,-,0.8789,https://www.genome.jp/dbget-bin/www_bget?dr:D07900
5215,D01713, Epinastine hydrochloride (JAN), Other antihistamines for systemic use,R06AX24,RESPIRATORY SYSTEM,[C@H]12c3c(Cc4c(N1C(=[NH]C2)N)cccc4)cccc3,250.31799999999998,2.8819,84.4561,53.11,19,2,2,OLPPMJZHNMZOSV-HNNXBMFYSA-N,C16H16N3,NC1=[NH]CC2N1c1ccccc1Cc1c2cccc1,"InChI=1S/C16H16N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15,18H,9-10,17H2/t15-/m0/s1",-10.0249,-8.4652,-6.1878,-6.1824,-6.0541,-5.4089,3.0161,3.0810000000000004,3.1455,3.2649,3.5823,D01713_R06AX24,004601a420000600020006009081280e801000d000000040000000a080001000100154811040012000800138002032404000040000001008030000020088240080001000400002000c0020008328000000c0804014002019520e08000000000001300003000403004200080020000000000e011020010040100000004a400000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600400804,000004010004000000701e861843c08354a1492917,0,12,25,1,0,0,35,38,-12.817,-5.19,1,0.0,0.006365675,+,0.8789,-,0.8789,https://www.genome.jp/dbget-bin/www_bget?dr:D01713
5216,D01713, Epinastine hydrochloride (JAN), Other antiallergics,S01GX10,SENSORY ORGANS,[C@H]12c3c(Cc4c(N1C(=[NH]C2)N)cccc4)cccc3,250.31799999999998,2.8819,84.4561,53.11,19,2,2,OLPPMJZHNMZOSV-HNNXBMFYSA-N,C16H16N3,NC1=[NH]CC2N1c1ccccc1Cc1c2cccc1,"InChI=1S/C16H16N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15,18H,9-10,17H2/t15-/m0/s1",-10.0249,-8.4652,-6.1878,-6.1824,-6.0541,-5.4089,3.0161,3.0810000000000004,3.1455,3.2649,3.5823,D01713_S01GX10,004601a420000600020006009081280e801000d000000040000000a080001000100154811040012000800138002032404000040000001008030000020088240080001000400002000c0020008328000000c0804014002019520e08000000000001300003000403004200080020000000000e011020010040100000004a400000,0000000000b001,020040010000000000000000000000000040000000000000000000000000000000004600400804,000004010004000000701e861843c08354a1492917,0,12,25,1,0,0,35,38,-12.817,-5.19,1,0.0,0.006365675,+,0.8789,-,0.8789,https://www.genome.jp/dbget-bin/www_bget?dr:D01713
5217,D01117, Mizolastine (JAN/INN), Other antihistamines for systemic use,R06AX25,RESPIRATORY SYSTEM,C(c1ccc(cc1)F)n1c2ccccc2nc1N1CCC(CC1)N(c1[nH]ccc(=O)[nH]1)C,433.501,3.6914,127.995,72.95,30,2,5,LAJAVQIVSGSEHS-UHFFFAOYSA-N,C24H26FN6O,Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1[nH]ccc(=O)[nH]1)C,"InChI=1S/C24H26FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19,26H,11-12,14-16H2,1H3,(H,28,32)",-7.8441,-7.6189,-6.8386,-6.2874,-5.7631,-5.0337,2.9927,3.0179,3.0328,3.0719,3.6515,D01117_R06AX25,8006000000101c4019984600180000050100001000800002000000800020010010007081410880213086015c000100c00102b00050006000004100020000000004000c00c00020000010400002980009009001500c802009e00900201001100000301000048000001240000040000c00000e0102000110000006800106000000,0400000000b021,020000000000000000008000200000000000000000089800000000000000000000004600403804,000000010006102001d4769e9b6fb8c37de36daf1f,1,16,48,1,0,5,61,65,-10.927,-5.184,0,,0.077678941,-,2.5183,-,2.5183,https://www.genome.jp/dbget-bin/www_bget?dr:D01117
5218,D07958, Fexofenadine (INN), Other antihistamines for systemic use,R06AX26,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H]1CC[N@@H+](CC1)CCC[C@H](c1ccc(cc1)C(C(=O)O)(C)C)O)O,502.664,5.6626,152.553,82.2,43,4,4,RWTNPBWLLIMQHL-GDLZYMKVSA-O,C32H40NO4+,OC(=O)C(c1ccc(cc1)C(CCC[NH+]1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)/p+1/t29-/m1/s1",-6.0635,-4.5421,-4.5385,-4.5256,-4.5193,-4.519,1.6131,1.6592,1.9461,2.1918,2.376,D07958_R06AX26,002e00000020004002000600800000000000005000000000000000a0000000001000500000000001200a00180001000001020000000040000000000200000008080008000000044000002000028000010098015000003008c0080800000910000000002100000000004000004000100000060500020110000000000100000000,0500006c00f003,0f6840020400000000008800000000000000000000000000000000000000000000000600c02a04,0000000000000100020632068ac020870d0fdff71f,0,18,61,1,0,10,77,80,-6.032,-2.339,1,0.0,0.729873419,+,2.032,-,2.032,https://www.genome.jp/dbget-bin/www_bget?dr:D07958
5219,D00671, Fexofenadine hydrochloride (JP17/USAN), Other antihistamines for systemic use,R06AX26,RESPIRATORY SYSTEM,c1cccc(c1)C(c1ccccc1)([C@@H]1CC[N@@H+](CC1)CCC[C@H](c1ccc(cc1)C(C(=O)O)(C)C)O)O,502.664,5.6626,152.553,82.2,43,4,4,RWTNPBWLLIMQHL-GDLZYMKVSA-O,C32H40NO4+,OC(=O)C(c1ccc(cc1)C(CCC[NH+]1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)/p+1/t29-/m1/s1",-6.0405,-4.6134,-4.6125,-4.5747,-4.4086,-4.2881,1.6224,1.6528,1.9157,1.9451,2.3831,D00671_R06AX26,002e00000020004002000600800000000000005000000000000000a0000000001000500000000001200a00180001000001020000000040000000000200000008080008000000044000002000028000010098015000003008c0080800000910000000002100000000004000004000100000060500020110000000000100000000,0500006c00f003,0f6840020400000000008800000000000000000000000000000000000000000000000600c02a04,0000000000000100020632068ac020870d0fdff71f,0,18,61,1,0,10,77,80,-6.0329999999999995,-2.339,1,0.0,0.5532963870000001,+,2.032,-,2.032,https://www.genome.jp/dbget-bin/www_bget?dr:D00671
5220,D03693, Desloratadine (JAN/USAN/INN), Other antihistamines for systemic use,R06AX27,RESPIRATORY SYSTEM,C1c2c(C(=C3CC[NH2+]CC3)c3c(C1)cccn3)ccc(c2)Cl,311.829,4.5619,96.4364,29.5,21,1,1,JAUOIFJMECXRGI-UHFFFAOYSA-O,C19H20ClN2+,Clc1ccc2c(c1)CCc1c(C2=C2CC[NH2+]CC2)nccc1,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2/p+1",-5.7092,-5.7085,-4.3635,-4.3539,-2.2267,-1.1847,1.5635,1.5636,1.5645,1.5653,1.6173,D03693_R06AX27,0007032000000004020c0600840040020082005040204408010000a2002004011008450800c0c020008110180001104001020000000430004500000a00040000860004020200028200082000260800020088815004803008c8081a00000840040914000980240884022008002010042210068110004310000040000d0a800800,0100000000f001,120040010400000000000000000000000000000000049000000000000000000000004640c01200,000004000000032001086a04de45a08121a3452917,0,12,32,1,0,0,42,45,-12.106,-3.812,0,2.0,0.041151751,+,0.799,-,0.799,https://www.genome.jp/dbget-bin/www_bget?dr:D03693
5221,D07407, Rupatadine (INN), Other antihistamines for systemic use,R06AX28,RESPIRATORY SYSTEM,c12/C(=C/3\CC[N@@H+](CC3)Cc3cc(cnc3)C)/c3c(CCc1cc(cc2)Cl)cccn3,416.966,5.787000000000001,128.586,30.22,29,1,2,WUZYKBABMWJHDL-UHFFFAOYSA-O,C26H27ClN3+,Cc1cncc(c1)C[NH+]1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1,"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3/p+1",-6.0506,-5.8923,-4.5423,-4.5405,-2.2106,-1.5309,1.5714,1.8274,1.8493,1.8511,1.8738,D07407_R06AX28,000703a000000024020c060084014002008200d040204408010000e2002004011008550800c0c020008910180001104001020000000430004500000a000402008e0004020204028200082000260800020088815004803009c8081a00000840040914002b806408940220080020100422100681100043100000c0000d0a800810,0100000000f001,130040020400000000000000000000000000000000049000000000000000000000004640c03204,0000040000000320018c7204de4da08321a34dad17,0,18,42,1,0,2,57,61,-11.571,-3.82,0,-1.0,0.86160773,+,1.5058,-,1.5058,https://www.genome.jp/dbget-bin/www_bget?dr:D07407
5222,D08497, Rupatadine fumarate (JAN), Other antihistamines for systemic use,R06AX28,RESPIRATORY SYSTEM,c12/C(=C/3\CC[N@@H+](CC3)Cc3cc(cnc3)C)/c3c(CCc1cc(cc2)Cl)cccn3,416.966,5.787000000000001,128.586,30.22,29,1,2,WUZYKBABMWJHDL-UHFFFAOYSA-O,C26H27ClN3+,Cc1cncc(c1)C[NH+]1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1,"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3/p+1",-6.0546,-5.8893,-4.5493,-4.5304,-2.2119999999999997,-1.5316,1.5727,1.8107,1.815,1.8456,1.8735,D08497_R06AX28,000703a000000024020c060084014002008200d040204408010000e2002004011008550800c0c020008910180001104001020000000430004500000a000402008e0004020204028200082000260800020088815004803009c8081a00000840040914002b806408940220080020100422100681100043100000c0000d0a800810,0100000000f001,130040020400000000000000000000000000000000049000000000000000000000004640c03204,0000040000000320018c7204de4da08321a34dad17,0,18,42,1,0,2,57,61,-11.59,-3.818,0,2.0,0.861890852,+,1.5058,-,1.5058,https://www.genome.jp/dbget-bin/www_bget?dr:D08497
5223,D09570, Bilastine (JAN/INN), Other antihistamines for systemic use,R06AX29,RESPIRATORY SYSTEM,c1ccc2c(c1)n(c(n2)[C@H]1CC[N@@H+](CC1)CCc1ccc(cc1)C(C(=O)O)(C)C)CCOCC,464.62,5.0092,141.498,68.79,41,2,5,ACCMWZWAEFYUGZ-UHFFFAOYSA-O,C28H38N3O3+,CCOCCn1c(nc2c1cccc2)C1CC[NH+](CC1)CCc1ccc(cc1)C(C(=O)O)(C)C,"InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)/p+1",-6.0248,-4.5923,-4.5769,-4.5447,-4.5208,-4.4091,1.5637,1.5718,1.5761,1.6217,2.3762,D09570_R06AX29,80260020002008400208c600040200043001001000020000000000c0000400001004508501008023300a2018000000e0010200000800601000000006000020080cc00c02c01007400000480002900001009881500c802009c0180a108001000000000020200000000040000060000c004006019000151080000400010a000000,0500000c30f003,0f8040020400000000008800000000000000000000009800000000000000000000004600c03a04,0000000020000120035636c49ad9aaa70db77fff1f,0,16,58,1,0,10,72,75,-6.276,-1.9240000000000002,0,1.0,0.106858425,+,1.8719999999999999,-,1.8719999999999999,https://www.genome.jp/dbget-bin/www_bget?dr:D09570
5224,D03585, Colfosceril palmitate (USAN/INN), Lung surfactants,R07AA01,RESPIRATORY SYSTEM,O([P@](=O)(OCC[N+](C)(C)C)O)C[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,735.047,11.2438,211.334,118.17,88,1,8,KILNVBDSWZSGLL-KXQOOQHDSA-O,C40H81NO8P+,CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O,"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1",-10.7341,-9.5961,-7.6634,-7.6092,-4.9027,-4.836,2.3942,2.8821,3.3833,3.3855,4.2535,D03585_R07AA01,00820100000002111800040000020000200001000000000600000000000400001000000800010027000a000420000000037000000020402100008000a0008e00089e080000000000200082000880000400900040000020000000000100600000402000004040000000000800c4000800000f0101180500000000000140000100,0500000030e004,030040040400000000009000000000000000000000000000000000000020200000000000c02a05,00000030008001009002305728da2eae8b1e9ef709,0,0,127,3,0,40,131,130,-8.449,-1.4669999999999999,1,1.0,,-,15.185,-,15.185,https://www.genome.jp/dbget-bin/www_bget?dr:D03585
5225,D07873, Doxapram (INN), Respiratory stimulants,R07AB01,RESPIRATORY SYSTEM,c1cccc(c1)C1(c2ccccc2)[C@@H](CN(C1=O)CC)CC[NH+]1CCOCC1,379.515,3.2633,120.29700000000001,33.98,34,1,3,XFDJYSQDBULQSI-JOCHJYFZSA-O,C24H31N2O2+,CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3/p+1/t22-/m1/s1",-6.0369,-4.5752,-4.5372,-4.5195,-3.8858,-3.7838,1.5619,1.5658,1.5676,1.8227,2.336,D07873_R07AB01,00268000002000000b000600800200040100005000000000000000a000040000180050810000001220062418000100000102000000000000000000020000001008010c000810084000002000128000050090034000003008c0080800800830000000002100000000100000008000000000060180020110000012000100000300,0500000030f001,0f8040020400000000008000200000000000000000000000000000000000000000000600c02204,0000000000000121020436cc8af0bac309636dff1f,0,12,49,1,0,6,59,62,-12.069,-4.164,1,0.0,0.13319023,+,1.3867,-,1.3867,https://www.genome.jp/dbget-bin/www_bget?dr:D07873
5226,D01872, Doxapram hydrochloride (USP), Respiratory stimulants,R07AB01,RESPIRATORY SYSTEM,c1cccc(c1)C1(c2ccccc2)[C@@H](CN(C1=O)CC)CC[NH+]1CCOCC1,379.515,3.2633,120.29700000000001,33.98,34,1,3,XFDJYSQDBULQSI-JOCHJYFZSA-O,C24H31N2O2+,CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3/p+1/t22-/m1/s1",-6.0374,-4.5759,-4.5432,-4.5141,-3.8937,-3.7562,1.5631,1.5671,1.5707,1.8263,2.3333,D01872_R07AB01,00268000002000000b000600800200040100005000000000000000a000040000180050810000001220062418000100000102000000000000000000020000001008010c000810084000002000128000050090034000003008c0080800800830000000002100000000100000008000000000060180020110000012000100000300,0500000030f001,0f8040020400000000008000200000000000000000000000000000000000000000000600c02204,0000000000000121020436cc8af0bac309636dff1f,0,12,49,1,0,6,59,62,-12.067,-4.162,1,1.0,0.133066267,+,1.3867,-,1.3867,https://www.genome.jp/dbget-bin/www_bget?dr:D01872
5227,D07408, Nikethamide (INN), Respiratory stimulants,R07AB02,RESPIRATORY SYSTEM,c1ccc(cn1)C(=O)N(CC)CC,178.231,1.5636,51.7485,33.2,17,0,3,NCYVXEGFNDZQCU-UHFFFAOYSA-N,C10H14N2O,CCN(C(=O)c1cccnc1)CC,"InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3",-3.6394,-3.6343,-1.9447,-1.9438,-1.2776,-1.0594,0.5598,0.9032,0.9464,1.182,1.2316,D07408_R07AB02,00020080000000800100060000014000000000800000000800000040000004000c00400000008020008e0408000000c00000000000002000040000020000020004000400000400000000000002880000000000400400200140000000000000000010000200400000000000000010040010060000004100000088800002000010,0400000000b001,010000000000000000008000120000004001000000009000000000000000000000000640402000,0000000000000000018030080b201a03002318af1f,0,6,20,1,0,4,27,27,-9.726,-0.27899999999999997,0,1.0,0.033213746,+,0.1891,-,0.1891,https://www.genome.jp/dbget-bin/www_bget?dr:D07408
5228,D07409, Pentetrazol (INN), Respiratory stimulants,R07AB03,RESPIRATORY SYSTEM,C1CCc2n(CC1)nnn2,138.17,0.3995,36.352,43.6,13,0,4,CWRVKFFCRWGWCS-UHFFFAOYSA-N,C6H10N4,C1CCn2c(CC1)nnn2,InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2,-1.4082,-0.7054,-0.6369,-0.3501,-0.3473,-0.2963,0.0113,0.0215,0.2086,0.3195,0.8001,D07409_R07AB03,000000080000008000400400040000008000001000000000000000400000040010041000000000011000001000001600010084000020400000080004000000000c20080000020140002080008400000040000140008000008000001000000000000b082000000004080000000000081000040000001030401800000102000000,00000000001001,020000000000000000000000000000000000000000009800000000000000000000004600401000,000004002000080021d004a01841a08b03a10c2913,0,5,16,0,0,0,20,21,-10.839,0.376,0,0.0,0.004973158,+,0.6538,-,0.6538,https://www.genome.jp/dbget-bin/www_bget?dr:D07409
5229,D04080, Ethamivan (USAN/INN), Respiratory stimulants,R07AB04,RESPIRATORY SYSTEM,c1c(cc(c(c1)OC)O)C(=O)N(CC)CC,223.268,1.8828,62.4685,49.77,21,1,4,FFLBZJBCSKGBBK-UHFFFAOYSA-N,C12H17NO3,CCN(C(=O)c1ccc(c(c1)O)OC)CC,"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-11(16-3)10(14)8-9/h6-8,14H,4-5H2,1-3H3",-3.6433,-3.6068,-1.9626,-1.9439,-1.0305,-0.9043,0.8194,0.902,0.9269,0.9344,0.9508,D04080_R07AB04,000200000000048001000600000300000000008000002200000000c0000000000c0044000000000000860208000000000002020000000000000000020000000008800020010400010000000002c80000008000400000200040080000000000000010000200000402000000000010000000060100090100200808004400000000,0400000452b001,010002000000000000008000120000000001000000010000000000000000000000000240402000,00000000000000008000301808201b6200d6baff1f,0,6,26,1,0,5,33,33,-9.083,0.019,0,,0.023826733,-,0.1887,-,0.1887,https://www.genome.jp/dbget-bin/www_bget?dr:D04080
5230,D01957, Bemegride (JAN/INN), Respiratory stimulants,R07AB05,RESPIRATORY SYSTEM,N1C(=O)CC(CC1=O)(C)CC,155.194,1.1681,45.3127,46.17,16,1,3,ORRZGUBHBVWWOP-UHFFFAOYSA-N,C8H13NO2,CCC1(C)CC(=O)NC(=O)C1,"InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)",-3.8042,-3.8035,-2.9304,-2.9302,-2.5834,-1.3145,1.0348,1.4946,1.4951,1.7767,1.7775,D01957_R07AB05,0002000000000000010004000000000000000010000000000000000000000000180010000000000000060410000002000102000000000000000000000000000000000000000000000000000012800004001001500000200080000200000000000000002000000000000000000000000000040000000010000010000100000100,0400000000a001,0b0000000000000000008000000100000000000000000000000000000000000000000400402800,00000000000000000200000d82e01ec1884150ee1d,0,0,22,2,0,1,24,24,-11.095999999999998,0.136,0,,0.022852501,+,0.4279,-,0.4279,https://www.genome.jp/dbget-bin/www_bget?dr:D01957
5231,D07126, Almitrine (INN), Respiratory stimulants,R07AB07,RESPIRATORY SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)[NH+]1CCN(CC1)c1nc(nc(n1)NCC=C)NCC=C)F,478.56,4.6203,142.83100000000002,70.41,36,3,6,OBDOVFRMEYHSQB-UHFFFAOYSA-O,C26H30F2N7+,C=CCNc1nc(nc(n1)NCC=C)N1CC[NH+](CC1)C(c1ccc(cc1)F)c1ccc(cc1)F,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)/p+1",-6.7215,-6.5904,-6.4895,-6.1896,-6.0575,-4.9425,3.3313,3.3403,3.4075,3.4127,3.4642,D07126_R07AB07,00060000001004840280460098010008410000c000000000008000e00000000014004002204000600080002a00000000000030000000000080410002001000000400181000040000003001000208000400900040000020084008090000010000801c000300000000100000000000000201060106000110000100000000000100,0100000000f021,100040020400000000000000000000000000000000089000000000000000000000000600c03a00,000000010202112001d472048e46a08375234d2d17,2,18,48,2,0,10,65,68,-11.446,-3.9330000000000003,0,-1.0,0.8000567559999999,-,2.3252,-,2.3252,https://www.genome.jp/dbget-bin/www_bget?dr:D07126
5232,D02822, Almitrine mesylate (USAN), Respiratory stimulants,R07AB07,RESPIRATORY SYSTEM,c1c(ccc(c1)C(c1ccc(cc1)F)[NH+]1CCN(CC1)c1nc(nc(n1)NCC=C)NCC=C)F,478.56,4.6203,142.83100000000002,70.41,36,3,6,OBDOVFRMEYHSQB-UHFFFAOYSA-O,C26H30F2N7+,C=CCNc1nc(nc(n1)NCC=C)N1CC[NH+](CC1)C(c1ccc(cc1)F)c1ccc(cc1)F,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)/p+1",-6.9324,-6.5295,-6.4406,-6.2028,-6.0581,-4.9434,3.3182,3.3205,3.3247,3.3264,3.359,D02822_R07AB07,00060000001004840280460098010008410000c000000000008000e00000000014004002204000600080002a00000000000030000000000080410002001000000400181000040000003001000208000400900040000020084008090000010000801c000300000000100000000000000201060106000110000100000000000100,0100000000f021,100040020400000000000000000000000000000000089000000000000000000000000600c03a00,000000010202112001d472048e46a08375234d2d17,2,18,48,2,0,10,65,68,-11.434000000000001,-3.957,0,,0.7988260979999999,-,2.3252,-,2.3252,https://www.genome.jp/dbget-bin/www_bget?dr:D02822
5233,D07847, Dimefline (INN), Respiratory stimulants,R07AB08,RESPIRATORY SYSTEM,c1(ccc2c(c1C[NH+](C)C)oc(c(c2=O)C)c1ccccc1)OC,324.394,2.4215,98.1117,43.88,24,1,3,ZXFQRFXLFWWKLX-UHFFFAOYSA-O,C20H22NO3+,COc1ccc2c(c1C[NH+](C)C)oc(c(c2=O)C)c1ccccc1,"InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3/p+1",-6.024,-5.8697,-4.6309,-4.6269,-3.1246,-1.2131,1.5807,1.5818,1.6976,1.8601,1.8709,D07847_R07AB08,000200004000044400088601006300004000908834000004024000800400000800005800004020102a80100a00002400000082000002000e4008010200400600082200202140002188002000028c0040008000413100200840080040004108020016804300000002204100800312000000460100080108200900200040204000,0100000050f001,01004202040000000000000000000000400100000000a100000000000000000000004640c02200,0000000000000121000232111b09056200d1fbf71f,0,17,30,1,0,4,46,48,-12.187999999999999,-3.75,0,1.0,0.003341417,+,0.7359,-,0.7359,https://www.genome.jp/dbget-bin/www_bget?dr:D07847
5234,D01288, Dimefline hydrochloride (JAN/USAN), Respiratory stimulants,R07AB08,RESPIRATORY SYSTEM,c1(ccc2c(c1C[NH+](C)C)oc(c(c2=O)C)c1ccccc1)OC,324.394,2.4215,98.1117,43.88,24,1,3,ZXFQRFXLFWWKLX-UHFFFAOYSA-O,C20H22NO3+,COc1ccc2c(c1C[NH+](C)C)oc(c(c2=O)C)c1ccccc1,"InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3/p+1",-6.0235,-5.8798,-4.6312,-4.6296,-3.14,-1.2174,1.5783,1.5829,1.7069999999999999,1.8554,1.8783,D01288_R07AB08,000200004000044400088601006300004000908834000004024000800400000800005800004020102a80100a00002400000082000002000e4008010200400600082200202140002188002000028c0040008000413100200840080040004108020016804300000002204100800312000000460100080108200900200040204000,0100000050f001,01004202040000000000000000000000400100000000a100000000000000000000004640c02200,0000000000000121000232111b09056200d1fbf71f,0,17,30,1,0,4,46,48,-12.179,-3.753,0,0.0,0.0033398909999999998,+,0.7359,-,0.7359,https://www.genome.jp/dbget-bin/www_bget?dr:D01288
5235,D07410, Mepixanox (INN), Respiratory stimulants,R07AB09,RESPIRATORY SYSTEM,c1(ccc2c(c1C[NH+]1CCCCC1)oc1c(c2=O)cccc1)OC,324.394,4.0928,101.14299999999999,43.88,24,1,3,PYSOHOOUXFWCFF-UHFFFAOYSA-O,C20H22NO3+,COc1ccc2c(c1C[NH+]1CCCCC1)oc1c(c2=O)cccc1,"InChI=1S/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3/p+1",-6.02,-5.8502,-4.6014,-4.5985,-2.6593,-1.2184,1.5664,1.5742,1.723,1.8439,1.8648,D07410_R07AB09,000200000000042400088601002300000000909810000000024000c00400000810005800004020000a8000180000000001028200000000084000010200000000082000200144000188002000028c00400080015000002008c0081040004008021016006200000002200100800112000000060100080118200800200140000000,0100000050f001,02004202040000000000000000000000400100000000a100000000000000000000004640c02200,0000000000000101000432179b49a1e301c3eff71f,0,16,32,1,0,3,46,49,-12.300999999999998,-3.7060000000000004,0,1.0,0.20011068899999998,+,0.8862,-,0.8862,https://www.genome.jp/dbget-bin/www_bget?dr:D07410
5236,D00074, Nitric oxide (JAN), Other respiratory system products,R07AX01,RESPIRATORY SYSTEM,O=N,31.014,0.4313,6.7577,40.92,3,1,2,ODUCDPQEXGNKDN-UHFFFAOYSA-N,HNO,N=O,InChI=1S/HNO/c1-2/h1H,-0.6194,0.6135,-4.6014,-4.5985,-2.6593,-1.2184,0.0,0.0,0.0,0.0,-0.6194,D00074_R07AX01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000000000000000000000000,000000000000004050000020200040080000400009,0,0,1,1,0,0,3,2,-11.157,-0.59,0,1.0,1.19802e-05,-,1.6596,-,1.6596,https://www.genome.jp/dbget-bin/www_bget?dr:D00074
5237,D09916, Ivacaftor (USAN/INN), Other respiratory system products,R07AX02,RESPIRATORY SYSTEM,c1ccc2c(c1)[nH]cc(c2=O)C(=O)Nc1cc(c(cc1C(C)(C)C)C(C)(C)C)O,392.491,5.154,119.346,82.19,32,3,4,PURKAOJPTOLRMP-UHFFFAOYSA-N,C24H28N2O3,O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)",-4.073,-3.4856,-3.4084,-3.1437,-2.8993,-1.713,1.1887,1.2194,1.5869,1.6071,1.6447,D09916_R07AX02,000600a0000004c0030006000081480080108c801000920800000080000004001c00548000208120088e0608000010c0002402000000200804400002808004000c200c0040000200008070000288000000c0004024002809400808400000000200120002004000026000000003100410100601400241002008c8808002400010,0400000402b001,0900000000000000000080000a0000004003000000018500000000000000000000004640403800,00000000000010000382000913a11141d4f5f3fa1f,0,17,40,2,0,5,57,59,-8.847000000000001,-0.555,0,0.0,0.874374449,+,1.776,-,1.776,https://www.genome.jp/dbget-bin/www_bget?dr:D09916
5238,D07840, Dihydrostreptomycin (INN), Antibiotics,S01AA15,SENSORY ORGANS,[C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1O[C@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2NC(=[NH2])N)O)NC(=[NH2])N)O)O)O[C@H]([C@@]1(CO)O)C)CO)O)O)[NH2+]C,586.614,-6.1643,134.576,343.51,62,15,16,MZVUXYRXENNMQP-HZYVHMACSA-O,C21H44N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)CO)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H43N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26-36H,3-4,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.5121,-12.4483,-12.3646,-12.2617,-11.2903,-10.8352,4.9782,5.0202,5.0428,5.1588,5.8211,D07840_S01AA15,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730200110200010000100000000a0c013000000004000802008903b000810080000008003001200000080014000002000a201000100222000402000080038000000000000c0003880000da180020010000000000140000000,0100007c30e001,0178c0010401804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed78392c8641c6ff3fd1d,0,0,84,2,0,11,84,86,-17.587,-8.999,15,1.0,8.11949e-18,+,3.0876,-,3.0876,https://www.genome.jp/dbget-bin/www_bget?dr:D07840
5239,D02512, Dihydrostreptomycin sulfate (USP), Antibiotics,S01AA15,SENSORY ORGANS,[C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1O[C@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2NC(=[NH2])N)O)NC(=[NH2])N)O)O)O[C@H]([C@@]1(CO)O)C)CO)O)O)[NH2+]C,586.614,-6.1643,134.576,343.51,62,15,16,MZVUXYRXENNMQP-HZYVHMACSA-O,C21H44N7O12+,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3NC(=[NH2])N)O)NC(=[NH2])N)OC(C2(O)CO)C)C(C(C1O)O)[NH2+]C,"InChI=1S/C21H43N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26-36H,3-4,22-25H2,1-2H3/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",-12.7494,-12.4947,-12.4915,-12.1958,-11.1578,-11.0448,5.0004,5.0614,5.0968,5.2214,5.8125,D02512_S01AA15,000a00000000b880110004001202000020000034000200400000000002040010100010088000001730200110200010000100000000a0c013000000004000802008903b000810080000008003001200000080014000002000a201000100222000402000080038000000000000c0003880000da180020010000000000140000000,0100007c30e001,0178c0010401804000000000000000000040000000000000000000000000000000000437c02a04,000000010004310182b00ed78392c8641c6ff3fd1d,0,0,84,2,0,11,84,86,-17.593,-8.991,15,,8.348839999999999e-18,+,3.0876,-,3.0876,https://www.genome.jp/dbget-bin/www_bget?dr:D02512
5240,D08219, Micronomicin (DCF), Antibiotics,S01AA22,SENSORY ORGANS,[C@H]1(CC[C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])[NH3+])O[C@H]1OC[C@]([C@@H]([C@H]1O)[NH2+]C)(C)O)O)[NH3+])C[NH2+]C,468.60900000000004,-7.9188,119.789,213.75,53,8,7,DNYGXMICFMACRA-XHEDQWPISA-S,C20H46N5O7+++++,C[NH2+]CC1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+],"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/p+5/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1",-5.7897,-5.6879,-5.6697,-5.6295,-5.4245,-5.3628,2.1296,2.1718,2.5697,3.0015,3.0067,D08219_S01AA22,000200000000e000000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,000000000000310182802a578bd8a4641d7ff7fd1d,0,0,80,0,0,7,78,80,-21.686,-13.413,12,1.0,1.01178e-29,+,1.933,-,1.933,https://www.genome.jp/dbget-bin/www_bget?dr:D08219
5241,D01821, Micronomicin sulfate (JP17), Antibiotics,S01AA22,SENSORY ORGANS,[C@H]1(CC[C@H]([C@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1[NH3+])[NH3+])O[C@H]1OC[C@]([C@@H]([C@H]1O)[NH2+]C)(C)O)O)[NH3+])C[NH2+]C,468.60900000000004,-7.9188,119.789,213.75,53,8,7,DNYGXMICFMACRA-XHEDQWPISA-S,C20H46N5O7+++++,C[NH2+]CC1CCC(C(O1)OC1C([NH3+])CC(C(C1O)OC1OCC(C(C1O)[NH2+]C)(C)O)[NH3+])[NH3+],"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/p+5/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1",-5.8108,-5.6802,-5.6447,-5.6225,-5.3799,-5.3485,2.8444,2.8674,2.8731,2.9521,3.0081,D01821_S01AA22,000200000000e000000004000202000020000034000200000000000000040030100010088000001730000010200010000100000000a0c013000000004000a00008902b000810000000008803000000000080014000002000a001000100002000000000080038000000000000c000388000050180000110000000000140000000,0100006c30e001,0368c0010400804000000000000000000000000000000000000000000000000000000432c02204,000000000000310182802a578bd8a4641d7ff7fd1d,0,0,80,0,0,7,78,80,-21.680999999999997,-13.415,12,,1.00969e-29,+,1.933,-,1.933,https://www.genome.jp/dbget-bin/www_bget?dr:D01821
5242,D07411, Azidamfenicol (INN/BAN/DCF), Antibiotics,S01AA25,SENSORY ORGANS,c1c(ccc(c1)[C@H]([C@H](NC(=O)CN=[N]=N)CO)O)[N](=O)O,297.267,0.5609,70.0985,155.43,23,5,6,FDSWNOUESQZTGK-MWLCHTKSSA-N,C11H15N5O5,OCC(C(c1ccc(cc1)[N](=O)O)O)NC(=O)CN=[N]=N,"InChI=1S/C11H15N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11-12,17,19H,5-6H2,(H,14,18)(H,20,21)/t9-,11-/m1/s1",-5.3155,-5.2976,-4.3074,-4.2938,-4.159,-4.0344,2.0536,2.3526,2.3602,2.3998,2.4434,D07411_S01AA25,0006000400000040030006000000100d1000000800000090000000c00200000018004083410000232006203800010240010200000000400100000002000000101800080041011020000000000280010000a000600400300c60080800800900140400000000000000104001008001000000060940002110001078000002000000,0500003c00f001,0038000000000000000080000a0000000000000000000000000000000000000000000240c02a04,000080000000b94070d0026ba970508ade2eca7f1f,0,6,26,4,0,8,36,36,-13.356,-12.405999999999999,2,1.0,6.415610000000001e-06,+,0.6665,-,0.6665,https://www.genome.jp/dbget-bin/www_bget?dr:D07411
5243,D07412, Sulfadicramide (INN), Sulfonamides,S01AB03,SENSORY ORGANS,c1(S(=O)(=O)NC(=O)C=C(C)C)ccc(cc1)N,254.305,3.0928,65.6961,97.64,19,2,5,XRVJPLDTMUSSDE-UHFFFAOYSA-N,C11H14N2O3S,O=C(NS(=O)(=O)c1ccc(cc1)N)C=C(C)C,"InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)",-9.9755,-9.3828,-9.3514,-6.4706,-5.3241,-5.1052,2.4132,2.8662,2.9445,2.9863,3.8599,D07412_S01AB03,600201000000000400000620000400004c000000000040000400000000000002180040080000002000060008001001c0006100000002410000010000002040220000000040002080010000000080000000800060042000004028000000000001001400000000800000000000100008000006b001000000010020800012000000,0400000000b021,110040080000000000008000000000000001000000000000000020000000000000000240407800,000000800100469e140b892924a21008d6205aea1f,0,6,21,4,0,4,31,31,-9.238999999999999,-1.036,0,-1.0,0.024615928999999998,-,0.3458,-,0.3458,https://www.genome.jp/dbget-bin/www_bget?dr:D07412
5244,D00391, Trifluridine (JAN/USP/INN), Antivirals,S01AD02,SENSORY ORGANS,[C@@H]1(C[C@@H](O[C@@H]1CO)n1c(=O)[nH]c(=O)c(c1)C(F)(F)F)O,296.2,-0.8039,58.1093,104.55,16,3,6,VSQQQLOSPVPRAZ-RRKCRQDMSA-N,C10H11F3N2O5,OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",-4.6178,-4.194,-4.1664,-4.1643,-4.1474,-3.553,1.9122,1.9464,2.3553,2.4985,2.6656,D00391_S01AD02,800200000400284000004601004200006000049000020020020000c00404041010043008410080251000001020000884011000400000c00900800082200120000c801c008010a8001001c80b00900000008001400c00000cb00080810001000600000000000c0000404100006200180010060192000010000000400102000008,0000003c30b001,023900000000000000008000200000004042040000008d00000000000000000000000641603804,00000000100210218194168f83f691c3bdedea7f1f,3,6,24,2,0,3,31,32,-10.535,-0.79,3,,0.016550025,-,1.0268,-,1.0268,https://www.genome.jp/dbget-bin/www_bget?dr:D00391
5245,D08872, Besifloxacin hydrochloride (USAN), Fluoroquinolones,S01AE08,SENSORY ORGANS,c1(c(c(c2c(c1)c(=O)c(cn2C1CC1)C(=O)O)Cl)N1C[C@@H](CCCC1)[NH3+])F,394.848,2.4929,107.118,90.18,25,2,5,QFFGVLORLPOAEC-SNVBAGLBSA-O,C19H22ClFN3O3+,Fc1cc2c(c(c1N1CCCCC(C1)[NH3+])Cl)n(cc(c2=O)C(=O)O)C1CC1,"InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/p+1/t10-/m1/s1",-5.3909,-5.3851,-5.3225,-4.8878,-4.7623,-4.1291,1.7726,1.8269,2.045,2.3662,2.5669,D08872_S01AE08,40220200000004c04080070000804008810004108080000800060080006804001c00518205008060788b0638000010c001024080082020080440009a000404000d000c00c0000200041060010e8800060088015004002000c00a00c000010002000040280080002470e000000210042010060102204310000098800102c00100,0500000c00f023,0200c00005000000000088000000000040030000000c8900000000000000000000004640c02a04,000024000002012001c47007db45a1c7f5e7ef7b1f,1,11,39,2,0,3,49,52,-6.296,-2.6060000000000003,1,1.0,5.68389e-05,-,1.9031,-,1.9031,https://www.genome.jp/dbget-bin/www_bget?dr:D08872
5246,D08440, Sodium propionate, Other antiinfectives,S01AX10,SENSORY ORGANS,C(=O)(CC)O,74.0785,0.48100000000000004,18.3068,37.3,7,1,2,XBDQKXXYIPTUBI-UHFFFAOYSA-N,C3H6O2,CCC(=O)O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",-4.5637,-4.4303,-1.3338,-0.239,-0.2075,0.0,0.0,0.0,0.1835,0.3843,2.3634,D08440_S01AX10,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000000000000000000000000000000000008000800000000000000000000800000001000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,030000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000080000204080400d608,0,0,9,1,0,1,11,10,-4.03,8.091000000000001,0,1.0,,+,0.7854,+,0.7854,https://www.genome.jp/dbget-bin/www_bget?dr:D08440
5247,D05872, Sodium propionate (NF), Other antiinfectives,S01AX10,SENSORY ORGANS,C(C(=O)O)C,74.0785,0.48100000000000004,18.3068,37.3,7,1,2,XBDQKXXYIPTUBI-UHFFFAOYSA-N,C3H6O2,CCC(=O)O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",-4.5638,-4.4304,-1.3338,-0.239,-0.2076,0.0,0.0,0.0,0.1835,0.3843,2.3635,D05872_S01AX10,00000000000000000000000000000000000000000000000000000000000000001000000000000001000a0000000000000000000000000000000000000000000008000800000000000000000000800000001000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,030000000000000000008800000000000000000000000000000000000000000000000000402800,00000000000000000000000080000204080400d608,0,0,9,1,0,1,11,10,-4.032,8.086,0,1.0,,+,0.8954,+,0.8954,https://www.genome.jp/dbget-bin/www_bget?dr:D05872
5248,D07415, Picloxydine (INN), Other antiinfectives,S01AX16,SENSORY ORGANS,C1N(CCN(C1)C(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl)C(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl,479.409,5.1126,143.56799999999998,158.68,38,8,6,APCPMQSQPOZRQS-UHFFFAOYSA-N,C20H28Cl2N10,[NH2]=C(N1CCN(CC1)C(=[NH2])NC(=[NH2])Nc1ccc(cc1)Cl)NC(=[NH2])Nc1ccc(cc1)Cl,"InChI=1S/C20H28Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8,27-30H,9-12,23-26H2",-12.4653,-12.2894,-12.2599,-12.2427,-11.7908,-11.7396,5.5226,5.535,5.5628,5.6026,8.1908,D07415_S01AX16,00420206010000000000060010900009800000200000084000000000002010000000000220000220000103280001024000000000000000080000000010000500000030004000000000200000062000020288004006002002620802000004000001200000040000000000000000000000000e0004000000001000000006800000,0000000000b001,0000c0000000000000000000000000000040000000040000000000000000000000000600402800,000000010004100000f478064a46e08375234d2917,0,12,46,4,0,10,60,62,-18.223,-13.299000000000001,0,0.0,2.23364e-11,+,2.9699,-,2.9699,https://www.genome.jp/dbget-bin/www_bget?dr:D07415
5249,D02289, Medrysone (USAN)," Corticosteroids, plain",S01BA08,SENSORY ORGANS,C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](C[C@@H]2C)[C@H]2[C@](C[C@@H]1O)([C@H](CC2)C(=O)C)C)C,344.48800000000006,3.9403,99.9798,54.37,35,1,3,GZENKSODFLBBHQ-ILSZZQPISA-N,C22H32O3,O=C1CCC2(C(=C1)C(C)CC1C2C(O)CC2(C1CCC2C(=O)C)C)C,"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1",-3.3023,-2.9876,-1.9149,-0.8414,-0.7939,-0.7277,0.4938,0.5403,0.6358,0.7084,0.8137,D02289_S01BA08,0000000000000224000000010000000000000080004040000000000000002000100000000080000180020000000000000120000000204102200000000000000008000800000400000000800028800204001000400000000000801000000000010204000080000000000000000000080000000000000000000000008100000100,1400002c00a001,1f2800000000010000000000000000000001000000000000000000000000000000004040407805,00000002000002000208008494892cc08954b7d21c,0,0,57,3,0,1,57,60,-10.157,-0.035,8,,0.40906363700000004,-,1.9765,-,1.9765,https://www.genome.jp/dbget-bin/www_bget?dr:D02289
5250,D04244, Formocortal (USAN/INN)," Corticosteroids, plain",S01BA12,SENSORY ORGANS,C1C(=CC2=C(C[C@@H]3[C@@]([C@]2(C1)C)([C@H](C[C@]1([C@H]3C[C@@H]2[C@@]1(C(=O)COC(=O)C)OC(O2)(C)C)C)O)F)C=O)OCCCl,569.059,3.9628,140.542,108.36,46,1,8,QNXUUBBKHBYRFW-QWAPGEGQSA-N,C29H38ClFO8,ClCCOC1=CC2=C(C=O)CC3C(C2(CC1)C)(F)C(O)CC1(C3CC2C1(OC(O2)(C)C)C(=O)COC(=O)C)C,"InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1",-4.3672,-3.3243,-3.0726,-3.048,-3.0139,-2.9779,1.3683,1.4119,1.4297,1.4780000000000002,1.5324,D04244_S01BA12,000202020008a2240a00000300420000600000b42042400022000088000424001600520800800005800b0010200000000120000080e0491320000080000082000c10290000040002000080a22880029400d0004005000008680010010800600102040008800800000500200041347c4201130100000110000100448100000900,1c00042c30a005,9f2900000080814000029000000000000001000000000000000000000000000000004440407805,0000000200020201820a4485d49dace4a95fb7d71c,1,0,76,5,0,8,77,81,-8.826,-0.695,8,2.0,0.739847183,-,4.8273,-,4.8273,https://www.genome.jp/dbget-bin/www_bget?dr:D04244
5251,D08147, Loteprednol (INN)," Corticosteroids, plain",S01BA14,SENSORY ORGANS,[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)(C(=O)OCCl)O,394.889,2.7357,101.78,83.83,32,2,5,YPZVAYHNBBHPTO-MXRBDKCISA-N,C21H27ClO5,ClCOC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C,"InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1",-4.433,-3.6304,-2.978,-2.7075,-2.4776,-2.3109,1.5667,1.6209,1.6369,1.7928,2.0864,D08147_S01BA14,00000200000002240000000100020000000000800040400000000020000020001008000840800005800b000001000000012012000020410200000000400082000800080000040000000080022880020400d000400000000000001000000000010204000280500000000040000000280000010900000000000000008102000100,1400006c30a005,9f6800000000018002009000000000000001000000000000000000000000000000004040437804,0000000a0000020082080086d4992ce4ad4cb7d71c,0,0,53,4,0,3,54,57,-10.154,-0.401,7,0.0,0.336328715,-,2.0381,-,2.0381,https://www.genome.jp/dbget-bin/www_bget?dr:D08147
5252,D01689, Loteprednol etabonate (JAN/USAN)," Corticosteroids, plain",S01BA14,SENSORY ORGANS,[C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)(C(=O)OCCl)OC(=O)OCC,466.952,3.9165,117.79799999999999,99.13,38,1,7,DMKSVUSAATWOCU-HROMYWEYSA-N,C24H31ClO7,ClCOC(=O)C1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)OC(=O)OCC,"InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1",-5.6872,-4.4194,-4.041,-4.0026,-3.6254,-3.0222,1.5691,1.7022,1.7708,2.0821,2.256,D01689_S01BA14,00000202000022240200000100020000000000a40040400000000020000020001008000840800005800b0000010010000120120000a0411200000080400082000800280000040000000080022880020400d000400000000020001000002020010204000a80780000000040000000280000038900080500000000008102000100,1400002c30a005,9f2800000000018002009000000000000049000000000000000000000000000000004040437804,0040000a0000020082080084d49b2ee4a95eb7d71c,0,0,61,5,0,7,63,66,-10.360999999999999,-0.6509999999999999,7,,0.481592894,-,2.7713,-,2.7713,https://www.genome.jp/dbget-bin/www_bget?dr:D01689
5253,D01578, Pranoprofen (JP17/INN)," Antiinflammatory agents, non-steroids",S01BC09,SENSORY ORGANS,c1ccc2c(n1)Oc1c(C2)cc(cc1)[C@@H](C)C(=O)O,255.269,2.9662,70.1158,59.42,16,1,4,TVQZAMVBTVNYLA-SECBINFHSA-N,C15H13NO3,OC(=O)C(c1ccc2c(c1)Cc1c(O2)nccc1)C,"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)/t9-/m1/s1",-4.553,-4.4198,-2.5904,-1.3335,-1.0588,-0.7859,0.6447,0.6455,0.7249,1.2690000000000001,2.3776,D01578_S01BC09,000400040024020202000200a00340000440a05020001208000000e0000004001000500600008021008e000800004241000002000024200004000002000001180c201c00010104610000000002880001009200400400000850081800040040000002400100240406000100004110048010820100084100203840000002000008,0400000c90b003,070004000000000000008800000004000000000000009000000000000000000000004600402804,00000000000000010100000812219105008583da1f,0,12,21,1,0,2,32,34,-4.591,2.064,1,0.0,0.000106375,+,0.6351,-,0.6351,https://www.genome.jp/dbget-bin/www_bget?dr:D01578
5254,D05143, Nepafenac (JAN/USAN/INN)," Antiinflammatory agents, non-steroids",S01BC10,SENSORY ORGANS,c1cccc(c1)C(=O)c1cccc(c1N)CC(=O)N,254.28400000000002,2.8091,73.4013,86.18,18,2,4,QEFAQIPZVLVERP-UHFFFAOYSA-N,C15H14N2O2,NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",-5.0545,-5.038,-4.7939,-4.2227,-4.2104,-3.818,1.4443,1.4921,2.2892,2.6243,2.6997,D05143_S01BC10,000400200020008002000600800000040040804000000000000200a0000000001400408100000020000602180000004000000000100000000100000200000000080008084000024000000000008000010092004004000008400a0800000000000000000100000000000009000110000000060100000100000008000002000000,1400000000b021,020040080000010000008000060000004003000000000000000000000000000000000240403800,00000000000000000000080a81601000dca0e16e1f,0,12,20,2,0,4,33,34,-8.679,-0.382,0,0.0,0.277162492,+,0.5547,-,0.5547,https://www.genome.jp/dbget-bin/www_bget?dr:D05143
5255,D07541, Bromfenac (INN)," Antiinflammatory agents, non-steroids",S01BC11,SENSORY ORGANS,c1c(ccc(c1)C(=O)c1cccc(c1N)CC(=O)O)Br,334.165,3.4706,79.9657,80.39,15,2,4,ZBPLOVFIXSTCRZ-UHFFFAOYSA-N,C15H12BrNO3,OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",-5.0652,-5.0134,-4.556,-4.376,-2.9619999999999997,-2.6502,1.401,1.5463,2.3512,2.4225,2.6925,D07541_S01BC11,000400280820008002100600800000000440804000001200000200a0000000001400400000000021000a02080000004000000000000000000104000200000008080008084000064100000000108000010092004004000008400a0800000000000000000100000000000009004100000000020100000100000088000002400000,1400000c00b023,020040080000010000008800000000004003000000100000000000000000000000000240403800,00000000002000000000480281040004fc84e37e1f,0,12,19,2,0,4,32,33,-4.537,1.3090000000000002,0,1.0,0.00020666,+,0.3855,-,0.3855,https://www.genome.jp/dbget-bin/www_bget?dr:D07541
5256,D03163, Bromfenac sodium (USAN)," Antiinflammatory agents, non-steroids",S01BC11,SENSORY ORGANS,c1(cccc(c1N)CC(=O)O)C(=O)c1ccc(cc1)Br,334.165,3.4706,79.9657,80.39,15,2,4,ZBPLOVFIXSTCRZ-UHFFFAOYSA-N,C15H12BrNO3,OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",-5.0813,-5.0306,-4.5786,-4.3759,-3.3264,-2.6525,1.3747,1.6005,2.3617,2.4192,2.6424,D03163_S01BC11,000400280820008002100600800000000440804000001200000200a0000000001400400000000021000a02080000004000000000000000000104000200000008080008084000064100000000108000010092004004000008400a0800000000000000000100000000000009004100000000020100000100000088000002400000,1400000c00b023,020040080000010000008800000000004003000000100000000000000000000000000240403800,00000000002000000000480281040004fc84e37e1f,0,12,19,2,0,4,32,33,-4.537,1.311,0,-4.0,0.000208864,+,0.3682,-,0.3682,https://www.genome.jp/dbget-bin/www_bget?dr:D03163
5257,D02349, Dipivefrin (USAN), Sympathomimetics in glaucoma therapy,S01EA02,SENSORY ORGANS,c1(c(ccc(c1)[C@@H](C[NH2+]C)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C,352.445,1.8162,97.5632,89.44,35,2,5,OCUJLLGVOUDECM-CYBMUJFWSA-O,C19H30NO5+,C[NH2+]CC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3/p+1/t13-/m1/s1",-5.6931,-5.682,-4.4542,-4.4027,-4.3683,-4.3491,1.5782,1.6031,1.7874,1.9816,2.182,D02349_S01EA02,40060010000000400a00060000020004040000000000520000000080000000021000408100000013200a2018000000000002020000000800000000020000020008a00802050001018000002002c28000009000400000200840080800000100000000000000000402004000828010000000062100080110200800004a00000004,0500002c50f005,092840010400000000009000000000000000000000000000000000000000000000000200c02204,000000000000210082022a50888005648cdcf2f71f,0,6,47,2,0,9,55,55,-12.700999999999999,-4.244,1,0.0,6.0171400000000005e-05,+,1.2574,-,1.2574,https://www.genome.jp/dbget-bin/www_bget?dr:D02349
5258,D01017, Dipivefrin hydrochloride (JAN/USP), Sympathomimetics in glaucoma therapy,S01EA02,SENSORY ORGANS,c1(c(ccc(c1)[C@@H](C[NH2+]C)O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C,352.445,1.8162,97.5632,89.44,35,2,5,OCUJLLGVOUDECM-CYBMUJFWSA-O,C19H30NO5+,C[NH2+]CC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3/p+1/t13-/m1/s1",-5.6875,-5.684,-4.4449,-4.4319,-4.4271,-4.3615,1.5668,1.5975,1.7704,1.9772,2.2327,D01017_S01EA02,40060010000000400a00060000020004040000000000520000000080000000021000408100000013200a2018000000000002020000000800000000020000020008a00802050001018000002002c28000009000400000200840080800000100000000000000000402004000828010000000062100080110200800004a00000004,0500002c50f005,092840010400000000009000000000000000000000000000000000000000000000000200c02204,000000000000210082022a50888005648cdcf2f71f,0,6,47,2,0,9,55,55,-12.732000000000001,-4.218999999999999,1,,6.1001599999999995e-05,+,1.2574,-,1.2574,https://www.genome.jp/dbget-bin/www_bget?dr:D01017
5259,D07461, Apraclonidine (INN), Sympathomimetics in glaucoma therapy,S01EA03,SENSORY ORGANS,c1(c(cc(cc1Cl)N)Cl)NC1=[NH]CCN1,246.11599999999999,2.5795,72.3625,73.93,15,4,3,NSQVTCACSVTSMJ-UHFFFAOYSA-N,C9H11Cl2N4,Nc1cc(Cl)c(c(c1)Cl)NC1=[NH]CCN1,"InChI=1S/C9H11Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4,13-15H,1-2,12H2",-8.5489,-8.4739,-6.5375,-5.416,-5.3999,-5.098,2.7444,2.9422,2.9805,3.2573,3.3137,D07461_S01EA03,0042020400010000000006009080000a800000000000004000040000802010000000020000000220000105280001226000000000000000080000400000080400000010004000000009040000042000020088004014002010460802000000000001200009040402082000000000000000001e0000000000001010000006800000,0000000000b021,000040090000000000000000000000000040000000040000000000000000000000000600402800,000000010004200000704e86c846e00174a3642917,0,6,20,1,0,2,26,27,-12.106,-5.485,0,0.0,0.000893353,+,0.4202,-,0.4202,https://www.genome.jp/dbget-bin/www_bget?dr:D07461
5260,D01008, Apraclonidine hydrochloride (JAN/USP), Sympathomimetics in glaucoma therapy,S01EA03,SENSORY ORGANS,c1(c(cc(cc1Cl)N)Cl)NC1=[NH]CCN1,246.11599999999999,2.5795,72.3625,73.93,15,4,3,NSQVTCACSVTSMJ-UHFFFAOYSA-N,C9H11Cl2N4,Nc1cc(Cl)c(c(c1)Cl)NC1=[NH]CCN1,"InChI=1S/C9H11Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4,13-15H,1-2,12H2",-8.5496,-8.4735,-6.5378,-5.4163,-5.3993,-5.0981,2.7444,2.9421,2.9806,3.2573,3.3138,D01008_S01EA03,0042020400010000000006009080000a800000000000004000040000802010000000020000000220000105280001226000000000000000080000400000080400000010004000000009040000042000020088004014002010460802000000000001200009040402082000000000000000001e0000000000001010000006800000,0000000000b021,000040090000000000000000000000000040000000040000000000000000000000000600402800,000000010004200000704e86c846e00174a3642917,0,6,20,1,0,2,26,27,-12.133,-5.452000000000001,0,0.0,0.000893263,+,0.4202,-,0.4202,https://www.genome.jp/dbget-bin/www_bget?dr:D01008
5261,D02193, Echothiophate iodide (USP), Parasympathomimetics,S01EB03,SENSORY ORGANS,O(P(=O)(SCC[N+](C)(C)C)OCC)CC,256.323,2.6069,66.1759,70.64,27,0,4,BJOLKYGKSZKIGU-UHFFFAOYSA-N,C9H23NO3PS+,CCOP(=O)(SCC[N+](C)(C)C)OCC,"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1",-9.9763,-7.3833,-7.3408,-4.9097,-4.8201,-4.8117,2.1542,2.1679,2.305,2.3068,2.3747,D02193_S01EB03,00820102000000000000040000200000000001200080000204000400000448000000000000000000000a0006200000000204000200000020010080002000000068000800000000002404060000000000100000400000200020000002000000000000000000400000000008000400000000041420000000000000000000000000,0100000000e000,010040040400000000000000000000000000000000000000000000800000200000000000c02200,00000030008001000402b11028d22eaa02121ef509,0,0,36,1,0,8,38,37,-13.185,-4.393,0,0.0,,-,0.5613,-,0.5613,https://www.genome.jp/dbget-bin/www_bget?dr:D02193
5262,D00667, Demecarium bromide (USP/INN), Parasympathomimetics,S01EB04,SENSORY ORGANS,c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(CCCCCCCCCCN(C(=O)Oc1cc(ccc1)[N+](C)(C)C)C)C,556.78,6.7622,167.18,59.08,58,0,6,RWZVPVOZTJJMNU-UHFFFAOYSA-N,C32H52N4O4++,O=C(N(CCCCCCCCCCN(C(=O)Oc1cccc(c1)[N+](C)(C)C)C)C)Oc1cccc(c1)[N+](C)(C)C,"InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2",-5.3674,-5.3513,-5.2291,-5.2123,-4.1633,-4.1573,1.4639,1.4823,1.486,1.5298,2.3541,D00667_S01EB04,00020210000002800100060000820000800000100000000022000100000000001820100000000030500c04180000004001260200002000080000080000000600080012004100010100000008028400000080014004002000c0080000000200040000000000000002008000080010000000060000080010600810008102000000,0000000050b021,020000000000000000000000000000000040000100000000000000000000000000000200402000,00004020000000000002301009ea3de6d17a9fff1f,0,12,79,2,0,19,92,93,-12.802999999999999,-4.532,0,,0.005768995,+,3.5484,-,3.5484,https://www.genome.jp/dbget-bin/www_bget?dr:D00667
5263,D00196, Physostigmine (USP), Parasympathomimetics,S01EB05,SENSORY ORGANS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1896,-7.2839,-6.0536,-6.0091,-5.2247,-4.6846,2.0341,2.5105,2.6207,2.6884,2.8233,D00196_S01EB05,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-12.029000000000002,-3.6889999999999996,3,,7.337109999999999e-05,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D00196
5264,D00196, Physostigmine (USP), Antidotes,V03AB19,VARIOUS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1863,-7.2792,-6.0536,-5.9886,-5.2432,-4.6831,2.0431,2.5096,2.6096,2.6873,2.82,D00196_V03AB19,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-12.029000000000002,-3.6889999999999996,3,,7.337109999999999e-05,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D00196
5265,D02418, Physostigmine salicylate (JAN/USP), Parasympathomimetics,S01EB05,SENSORY ORGANS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1945,-7.2917,-6.0537,-6.0019,-5.2099,-4.6811,2.0375,2.5148,2.6085,2.6865,2.8289999999999997,D02418_S01EB05,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-12.033,-3.693,3,,7.360569999999999e-05,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D02418
5266,D02418, Physostigmine salicylate (JAN/USP), Antidotes,V03AB19,VARIOUS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1924,-7.2859,-6.0542,-6.0106,-5.2316,-4.6866,2.0673,2.5078,2.6628,2.6906,2.8277,D02418_V03AB19,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-12.033,-3.693,3,,7.360569999999999e-05,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D02418
5267,D03826, Physostigmine sulfate (USP), Parasympathomimetics,S01EB05,SENSORY ORGANS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1891,-7.2838,-6.0532,-5.9885,-5.2449,-4.6827,2.0407,2.5094,2.6129,2.6898,2.8202,D03826_S01EB05,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-11.892000000000001,-3.742,3,,0.002336408,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D03826
5268,D03826, Physostigmine sulfate (USP), Antidotes,V03AB19,VARIOUS,[C@@]12(c3c(N([C@H]1[N@@H+](CC2)C)C)ccc(c3)OC(=O)NC)C,276.35400000000004,2.3819,85.8964,46.01,26,2,4,PIJVFDBKTWXHHD-HIFRSBDPSA-O,C15H22N3O2+,CNC(=O)Oc1ccc2c(c1)C1(C)CC[NH+](C1N2C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1",-8.1949,-7.313,-6.0515,-6.0009,-5.2199,-4.6808,2.039,2.5087,2.6097,2.6936,2.8307,D03826_V03AB19,00460030800008000b08060000820004801000100000040002000180001011001120408100000230100c21180001104041020200180008082000400200800600080014004101030100000020229200000080024004003008c0080800800a20040920000004000002122000c000100020000e0100080110600802004206400000,0100000050f021,0b0000000000000000000000000000000040000100000000000000000000000000004600c02a04,00004000200001000214369698ebbd6744f1dcfb1f,0,6,37,1,0,3,42,44,-11.892000000000001,-3.742,3,,0.002336408,-,0.7786,-,0.7786,https://www.genome.jp/dbget-bin/www_bget?dr:D03826
5269,D00043, Isoflurophate (USP), Parasympathomimetics,S01EB07,SENSORY ORGANS,P(=O)(OC(C)C)(OC(C)C)F,184.146,2.9139999999999997,41.8405,45.34,17,0,3,MUCZHBLJLSDCSD-UHFFFAOYSA-N,C6H14FO3P,CC(OP(=O)(OC(C)C)F)C,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",-10.3593,-7.5693,-7.2096,-4.5394,-1.5641,-1.5591,1.5002,1.8388,2.1191,2.3617,2.3655,D00043_S01EB07,0082000000000000008000000000010000000100000000020000000000000000100000000000000000080004000000000200000000000020000080006000000008000800000000002000020000000000000000400000000000000000000000000000000000400040000008000400000000000000000000000000000001000000,00000000002000,010000000000000000000000000000000000000000000000000000000000200000000000482000,0000005000820000000200002086002822109ad008,1,0,23,1,0,4,25,24,-11.011,0.449,0,-2.0,,+,0.3615,-,0.3615,https://www.genome.jp/dbget-bin/www_bget?dr:D00043
5270,D02750, Aceclidine (USAN/INN), Parasympathomimetics,S01EB08,SENSORY ORGANS,O(C(=O)C)[C@H]1C[N@@H+]2CC[C@H]1CC2,170.229,0.7958,50.2077,30.74,18,1,2,WRJPSSPFHGNBMG-VIFPVBQESA-O,C9H16NO2+,CC(=O)OC1C[NH+]2CCC1CC2,"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m0/s1",-6.0363,-4.5864,-4.5822,-4.544,-4.4149,-2.9914,1.5590000000000002,1.5624,1.5643,1.5777,1.6948,D02750_S01EB08,000a0000000000000200040000020000010000100002000000000000000400001000100000000013000a0010200000000102000000004000000000000000061008100800081008000000000002800000008001500000200080000000000000000000002000000000000000008000100000070180000310000000000100000000,0500000030e005,070040020400000000009000000000000000000000000000000000000000000000008400c02a05,0000000000000100000032448a4920e70943cdf31d,0,0,28,1,0,2,28,29,-14.508,-4.0489999999999995,1,2.0,4.95055e-05,+,0.4262,-,0.4262,https://www.genome.jp/dbget-bin/www_bget?dr:D02750
5271,D00999, Acetylcholine chloride (JP17/USP/INN), Parasympathomimetics,S01EB09,SENSORY ORGANS,[N+](CCOC(=O)C)(C)(C)C,146.207,0.2557,39.4224,26.3,18,0,2,OIPILFWXSMYKGL-UHFFFAOYSA-N,C7H16NO2+,CC(=O)OCC[N+](C)(C)C,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",-4.8171,-4.812,-4.7822,-4.7089,-4.4138,-3.0,1.4703,1.4774,1.5351,1.5451,1.9923,D00999_S01EB09,00020000000000000000040000020000000000000000000000000000000400000000000000000012000a0000000000000000000000000000000000000000060008000800081000000000000000800000008000400000200000000000000000000000000000000000000000008000000000060080000200000000000000000000,0500000030e004,010040040400000000009000000000000000000000000000000000000000000000000000c02a01,00000020000001000002305008d82c2608121cf709,0,0,24,1,0,4,26,25,-14.333,-4.38,0,0.0,,+,0.4672,-,0.4672,https://www.genome.jp/dbget-bin/www_bget?dr:D00999
5272,D00218, Acetazolamide (JP17/USP/INN), Carbonic anhydrase inhibitors,S01EC01,SENSORY ORGANS,c1(sc(nn1)NC(=O)C)S(=O)(=O)N,222.245,0.998,45.2161,151.66,13,2,8,BZKPWHYZMXOIDC-UHFFFAOYSA-N,C4H6N4O3S2,CC(=O)Nc1nnc(s1)S(=O)(=O)N,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",-12.4693,-9.8096,-9.6863,-5.7979,-5.7888,-3.7908,2.3995,3.6202,3.6319,3.8851,3.9801,D00218_S01EC01,680201000002040009000500080000104c040100040000240000002c0000002000800000000040209016300080000000004020002000020000420000000000400d400000002004800100060004840090800400400020300002808010000100001000001000810200010480000000000000043800400000000900040000004400,0400000000b001,0100000000000000000080000a000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18de821a29009d6214aea1b,0,5,11,3,0,3,19,19,-10.347000000000001,-1.548,0,,0.007184431999999999,+,0.8955,-,0.8955,https://www.genome.jp/dbget-bin/www_bget?dr:D00218
5273,D01196, Acetazolamide sodium (JAN), Carbonic anhydrase inhibitors,S01EC01,SENSORY ORGANS,n1c(sc(n1)S(=O)(=O)N)NC(=O)C,222.245,0.998,45.2161,151.66,12,2,8,BZKPWHYZMXOIDC-UHFFFAOYSA-N,C4H6N4O3S2,CC(=O)Nc1nnc(s1)S(=O)(=O)N,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",-12.5392,-9.7257,-9.6988,-5.8038,-5.8032,-3.8117,2.3988,3.6406,3.6435,3.8737,3.9735,D01196_S01EC01,680201000002040009000500080000104c040100040000240000002c0000002000800000000040209016300080000000004020002000020000420000000000400d400000002004800100060004840090800400400020300002808010000100001000001000810200010480000000000000043800400000000900040000004400,0400000000b001,0100000000000000000080000a000000000000000000d000000024000000000000000640403800,0000008009404c9e15d18de821a29009d6214aea1b,0,5,11,3,0,3,19,19,-10.583,-8.03,0,,0.0006730239999999999,+,0.8958,-,0.8958,https://www.genome.jp/dbget-bin/www_bget?dr:D01196
5274,D00518, Dichlorphenamide (USP), Carbonic anhydrase inhibitors,S01EC02,SENSORY ORGANS,c1(cc(c(c(c1)S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,305.159,3.8504,58.4508,137.08,12,2,6,GJQPMPFPNINLKP-UHFFFAOYSA-N,C6H6Cl2N2O4S2,Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",-12.158,-12.1517,-9.3921,-9.3897,-9.3872,-9.37,3.6957,3.9002,3.9006,3.903,3.9081,D00518_S01EC02,200003000000000000000260000000000800000080000010000018000020000008005008000000000201000800000080002000000000000000000000000000000000000000002280010200000600000200880020002000004048000000000000000000000000000010000014000000002002b000000000010002800010c00000,0000000000b001,000000000000000000000000000000000000000000040000000024000000000000000240402800,000000800100449e1401c92060861008a6a86a481f,0,6,12,4,0,2,22,22,-10.956,-1.633,0,1.0,0.158802852,-,0.8791,-,0.8791,https://www.genome.jp/dbget-bin/www_bget?dr:D00518
5275,D07871, Dorzolamide (INN), Carbonic anhydrase inhibitors,S01EC03,SENSORY ORGANS,c12c([C@H](C[C@@H](S1(=O)=O)C)[NH2+]CC)cc(s2)S(=O)(=O)N,325.448,2.4477,74.5468,155.91,22,2,6,IAVUPMFITXYVAF-XPUUQOCRSA-O,C10H17N2O4S3+,CC[NH2+]C1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/p+1/t6-,8-/m0/s1",-12.6229,-9.7331,-9.7303,-8.1682,-8.1248,-5.9032,3.6275,3.6512,3.8186,4.0489,4.056,D07871_S01EC03,614ac1010080001032000720000160000c000190000800000020007400f0000c1902041840038000839084580000006001e2000030000100002002028100000c0041001000140082011326041e02011be0c018e401227000c0c00a0040088805001000240000421820002100020114004006b881066b10010012400510000110,0100000000f101,03004001040000000000000000000000000000000000c000800024000000000000004640c03a05,000000800900459e14018fa0bacb964897e97aed1f,0,5,28,4,0,3,36,37,-13.630999999999998,-4.938,2,0.0,0.00011033600000000001,+,1.5268,-,1.5268,https://www.genome.jp/dbget-bin/www_bget?dr:D07871
5276,D00653, Dorzolamide hydrochloride (JP17/USP), Carbonic anhydrase inhibitors,S01EC03,SENSORY ORGANS,c12c([C@H](C[C@@H](S1(=O)=O)C)[NH2+]CC)cc(s2)S(=O)(=O)N,325.448,2.4477,74.5468,155.91,22,2,6,IAVUPMFITXYVAF-XPUUQOCRSA-O,C10H17N2O4S3+,CC[NH2+]C1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/p+1/t6-,8-/m0/s1",-12.6181,-9.7385,-9.7285,-8.1602,-8.1318,-5.8943,3.6313,3.6511,3.7817,4.0502,4.0571,D00653_S01EC03,614ac1010080001032000720000160000c000190000800000020007400f0000c1902041840038000839084580000006001e2000030000100002002028100000c0041001000140082011326041e02011be0c018e401227000c0c00a0040088805001000240000421820002100020114004006b881066b10010012400510000110,0100000000f101,03004001040000000000000000000000000000000000c000800024000000000000004640c03a05,000000800900459e14018fa0bacb964897e97aed1f,0,5,28,4,0,3,36,37,-13.63,-4.937,2,,0.00011012600000000001,+,1.5268,-,1.5268,https://www.genome.jp/dbget-bin/www_bget?dr:D00653
5277,D00652, Brinzolamide (JAN/USP/INN), Carbonic anhydrase inhibitors,S01EC04,SENSORY ORGANS,c12c([C@H](CN(S1(=O)=O)CCCOC)[NH2+]CC)cc(s2)S(=O)(=O)N,384.515,1.8605,92.0568,168.38,29,2,8,HCRKCZRJWPKOAR-JTQLQIEISA-O,C12H22N3O5S3+,COCCCN1CC([NH2+]CC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/p+1/t10-/m0/s1",-12.609000000000002,-10.5129,-9.7773,-9.7395,-9.7321,-9.725,3.6469,3.9085,4.0564,4.0606,4.5824,D00652_S01EC04,616ac10002000100024006240007000c0c000180000800000420006401e000023802003b810118018090a0780000000005e600006000e10000204002812020080881282000141081012202081f02001ac0c018e00122600000a0c800c010880108100404000003340800610002011c000006b987046b100100004020d0000100,0100000030f001,03804001040000000000000000000000000000000000c000000024000000000000004640c03a04,000000800900459e1445afb4bbdbbeeb9feb7efd1f,0,5,37,4,0,7,45,46,-12.712,-4.867,1,2.0,0.000550214,-,1.7279,-,1.7279,https://www.genome.jp/dbget-bin/www_bget?dr:D00652
5278,D00655, Methazolamide (JAN/USP/INN), Carbonic anhydrase inhibitors,S01EC05,SENSORY ORGANS,c\1(=[NH]\C(=O)C)/sc(nn1C)S(=O)(=O)N,237.28,0.5715,49.7571,155.52,15,2,7,RVWGAAWOMKYXBJ-QPJJXVBHSA-N,C5H9N4O3S2,CC(=O)[NH]=c1sc(nn1C)S(=O)(=O)N,"InChI=1S/C5H9N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h7H,1-2H3,(H2,6,11,12)/b7-4+",-11.8049,-9.1718,-9.1688,-6.2851,-6.2,-6.0094,3.6545,3.8012,3.8038,4.0643,4.3199,D00655_S01EC05,6800010100000c0008000500001000104c0021000210004000c00028000000001040800040021022901620a0000000000040a0002000820001020000000c02000c2a080000680080050004004c944084800000600020000002800000000000001400000000100200010010000010000000067800651200220800004004000700,0400000000b001,01000000000000000000800000000000004000000000d800000024000000000000000640402800,0000008009404c9e15f58df821a2d00bd6a17aea1b,0,5,14,4,0,2,23,23,-15.014000000000001,-6.392,0,,2.385e-06,-,0.9276,-,0.9276,https://www.genome.jp/dbget-bin/www_bget?dr:D00655
5279,D08115, Levobunolol (INN), Beta blocking agents,S01ED03,SENSORY ORGANS,c12c(cccc1OC[C@H](C[NH2+]C(C)(C)C)O)C(=O)CCC2,292.393,1.3072,84.8887,63.14,29,2,3,IXHBTMCLRNMKHZ-LBPRGKRZSA-O,C17H26NO3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCCC2=O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/p+1/t12-/m0/s1",-5.678,-5.6735,-4.3495,-4.3468,-2.8437,-2.0558,1.5523,1.5717,1.5935,1.7721,1.8013,D08115_S01ED03,400640000000008002400600020300000000800000000000010000c001000000140440088040000740020218000140000102020000208800008000220002201008200820014020018000202002808004409000400000300840080800100800000102000000000002008000c280100000000601000a0110200808004300000104,1500002c50f001,032842010400010000000000000000000001000000000000000000000000000000004240c03a05,000000000000210082020a42999129e00cd6d7ff1f,0,6,41,1,0,6,47,48,-11.739,-4.044,1,0.0,5.0919e-05,-,0.4802,-,0.4802,https://www.genome.jp/dbget-bin/www_bget?dr:D08115
5280,D01025, Levobunolol hydrochloride (JAN/USP), Beta blocking agents,S01ED03,SENSORY ORGANS,c12c(cccc1OC[C@H](C[NH2+]C(C)(C)C)O)C(=O)CCC2,292.393,1.3072,84.8887,63.14,29,2,3,IXHBTMCLRNMKHZ-LBPRGKRZSA-O,C17H26NO3+,OC(C[NH2+]C(C)(C)C)COc1cccc2c1CCCC2=O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/p+1/t12-/m0/s1",-5.6751,-5.6689,-4.3517,-4.3461,-2.8427,-2.0591,1.5526,1.5747,1.5932,1.7523,1.8021,D01025_S01ED03,400640000000008002400600020300000000800000000000010000c001000000140440088040000740020218000140000102020000208800008000220002201008200820014020018000202002808004409000400000300840080800100800000102000000000002008000c280100000000601000a0110200808004300000104,1500002c50f001,032842010400010000000000000000000001000000000000000000000000000000004240c03a05,000000000000210082020a42999129e00cd6d7ff1f,0,6,41,1,0,6,47,48,-11.747,-4.064,1,-1.0,5.09124e-05,-,0.4802,-,0.4802,https://www.genome.jp/dbget-bin/www_bget?dr:D01025
5281,D02374, Metipranolol (USAN/INN), Beta blocking agents,S01ED04,SENSORY ORGANS,c1(c(c(c(cc1C)OC[C@H](C[NH2+]C(C)C)O)C)C)OC(=O)C,310.409,1.2486,88.5872,72.37,32,2,4,BQIPXWYNLPYNHW-HNNXBMFYSA-O,C17H28NO4+,CC([NH2+]CC(COc1cc(C)c(c(c1C)C)OC(=O)C)O)C,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3/p+1/t15-/m0/s1",-5.6821,-5.6591,-4.4162,-4.3909,-4.3684,-2.0613,1.5546,1.5731,1.6051,1.7137,1.7984,D02374_S01ED04,40020012000000000000060000030000010080000000080000000080010000001000400880000017000a0018000000000002020000008800008000220000221008200800010021018000200002828000008000400000200040080000100100000000000000000002000000028110000000060100080110200800004000000004,0500002c50f005,012842010400000000009000000000000000000000000000000000000000000000000200c02a05,000000000000210080020a42891809640cdef2ff1f,0,6,43,1,0,8,50,50,-11.294,-4.043,1,,5.5669300000000006e-05,-,0.4487,-,0.4487,https://www.genome.jp/dbget-bin/www_bget?dr:D02374
5282,D02081, Metipranolol hydrochloride, Beta blocking agents,S01ED04,SENSORY ORGANS,c1(c(c(c(cc1C)OC[C@H](C[NH2+]C(C)C)O)C)C)OC(=O)C,310.409,1.2486,88.5872,72.37,32,2,4,BQIPXWYNLPYNHW-HNNXBMFYSA-O,C17H28NO4+,CC([NH2+]CC(COc1cc(C)c(c(c1C)C)OC(=O)C)O)C,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3/p+1/t15-/m0/s1",-5.7102,-5.6711,-4.3551,-4.331,-4.2917,-2.0486,1.5445,1.5549,1.561,1.5726,1.7833,D02081_S01ED04,40020012000000000000060000030000010080000000080000000080010000001000400880000017000a0018000000000002020000008800008000220000221008200800010021018000200002828000008000400000200040080000100100000000000000000002000000028110000000060100080110200800004000000004,0500002c50f005,012842010400000000009000000000000000000000000000000000000000000000000200c02a05,000000000000210080020a42891809640cdef2ff1f,0,6,43,1,0,8,50,50,-11.293,-4.043,1,0.0,5.57379e-05,-,0.4487,-,0.4487,https://www.genome.jp/dbget-bin/www_bget?dr:D02081
5283,D07496, Befunolol (INN), Beta blocking agents,S01ED06,SENSORY ORGANS,c1(cccc2c1oc(c2)C(=O)C)OC[C@H](C[NH2+]C(C)C)O,292.35,1.3469,82.1567,76.28,25,2,4,ZPQPDBIHYCBNIG-ZDUSSCGKSA-O,C16H22NO4+,OC(COc1cccc2c1oc(c2)C(=O)C)C[NH2+]C(C)C,"InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3/p+1/t13-/m0/s1",-5.7063,-5.6713,-4.3441,-4.3436,-3.928,-2.0527,1.5508,1.5527,1.5601,1.58,1.7893,D07496_S01ED06,400600000000408113000601803200000000800814000004000000a011004008140248088000000708060618000000000212020000008008010000020040201008200800210020018000000002848840008800402000200840080800004102020002204000000002000000038412010000060100080118a0080820000000400c,1500002c50f001,01284201040001000000000000000000000100000000a000000000000000000000004640c02a05,000000000000210180020ec2991109600c5fd2ff1f,0,10,33,1,0,7,43,44,-11.275,-4.091,1,0.0,3.1519499999999995e-05,+,0.4233,-,0.4233,https://www.genome.jp/dbget-bin/www_bget?dr:D07496
5284,D01512, Befunolol hydrochloride (JAN), Beta blocking agents,S01ED06,SENSORY ORGANS,c1(cccc2c1oc(c2)C(=O)C)OC[C@H](C[NH2+]C(C)C)O,292.35,1.3469,82.1567,76.28,25,2,4,ZPQPDBIHYCBNIG-ZDUSSCGKSA-O,C16H22NO4+,OC(COc1cccc2c1oc(c2)C(=O)C)C[NH2+]C(C)C,"InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3/p+1/t13-/m0/s1",-5.728,-5.6443,-4.3933,-4.3551,-3.967,-2.0628,1.5649,1.5812,1.5977,1.8213,2.4152,D01512_S01ED06,400600000000408113000601803200000000800814000004000000a011004008140248088000000708060618000000000212020000008008010000020040201008200800210020018000000002848840008800402000200840080800004102020002204000000002000000038412010000060100080118a0080820000000400c,1500002c50f001,01284201040001000000000000000000000100000000a000000000000000000000004640c02a05,000000000000210180020ec2991109600c5fd2ff1f,0,10,33,1,0,7,43,44,-11.274000000000001,-4.09,1,,3.15064e-05,+,0.4308,-,0.4308,https://www.genome.jp/dbget-bin/www_bget?dr:D01512
5285,D00356, Latanoprost (JAN/USAN/INN), Prostaglandin analogues,S01EE01,SENSORY ORGANS,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)CC[C@H](CCc1ccccc1)O)C/C=C/CCCC(=O)OC(C)C,432.593,4.1864,124.92299999999999,86.99,45,3,5,GGXICVAJURFBLW-RDSJPUOVSA-N,C26H40O5,OC(CCc1ccccc1)CCC1C(O)CC(C1CC=CCCCC(=O)OC(C)C)O,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1",-4.3641,-2.9958,-1.9371,-1.929,-1.9168,-1.2117,0.8904,0.91,1.1217,1.2582,1.4808,D00356_S01EE01,00040000000002240200020102020000000000800040400000000080000420001000400040800001000a0008200100000120000000204001000000020000820008100800000400000000a00200800204009000400000100848881800000800000204000000000000000000000000280000030100020100000000008100000100,0400002c30b005,172800000000000000009000000000000000000000000000000000000000000000000200432805,000000000000100000020087840820e40d4cb6d61e,0,6,64,2,0,14,71,72,-9.427,1.03,5,1.0,0.834600627,-,1.4973,-,1.4973,https://www.genome.jp/dbget-bin/www_bget?dr:D00356
5286,D08661, Unoprostone (INN), Prostaglandin analogues,S01EE02,SENSORY ORGANS,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)CCC(=O)CCCCCCC)C/C=C\CCCC(=O)O,382.534,4.2553,109.575,94.83,42,3,5,TVHAZVBUYQMHBC-SNHXEXRGSA-N,C22H38O5,CCCCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)O)O,"InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1",-4.581,-4.4029,-2.9866,-1.9391,-1.9216,-1.3312,0.9101,1.0971,1.4472,1.5717,2.3664,D08661_S01EE02,00000000000002240000000100000000000000800040400000000000000020001000000000800001000a0000000000000120000000204001000000000000000008000800000400000000800028800204001000400000000008801000000000000204000000000000000000000000280000000000000000000000008100000100,1400002c00a003,172800000000010000008800000000000000000000000000000000000000000000000000432805,00000000000010000000008784082ec48d4ca6d618,0,0,62,3,0,15,65,65,-4.47,3.117,4,0.0,0.001625846,-,1.9175,-,1.9175,https://www.genome.jp/dbget-bin/www_bget?dr:D08661
5287,D01452, Isopropyl unoprostone (JAN), Prostaglandin analogues,S01EE02,SENSORY ORGANS,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)CCC(=O)CCCCCCC)C/C=C/CCCC(=O)OC(C)C,424.61400000000003,5.1223,123.51,83.83,49,2,5,XXUPXHKCPIKWLR-IZYGNDRDSA-N,C25H44O5,CCCCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)OC(C)C)O,"InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8+/t21-,22-,23+,24-/m1/s1",-4.3443,-3.0,-2.9828,-1.9402,-1.9176,-1.1975,0.845,0.8653,0.8888,1.1144,1.5266,D01452_S01EE02,00000000000002240000000100020000000000800040400000000000000420001000000000800001000a0000200000000120000000204001000000000000820008100800000400000000800028800204009000400000000008801000000000000204000000000000000000000000280000030100000000000000008100000100,1400002c30a005,172800000000010000009000000000000000000000000000000000000000000000000000432805,00000000000010000002008784082ee48d5cb6d618,0,0,71,3,0,17,74,74,-9.922,0.898,4,-1.0,0.803072393,-,2.2031,-,2.2031,https://www.genome.jp/dbget-bin/www_bget?dr:D01452
5288,D02724, Bimatoprost (JAN/USAN/INN), Prostaglandin analogues,S01EE03,SENSORY ORGANS,[C@H]1([C@H]([C@H](C[C@H]1O)O)C/C=C/CCCC(=O)NCC)/C=C/[C@H](CCc1ccccc1)O,415.566,3.5378,121.359,89.79,42,4,5,AQOKCDNYWBIDND-ABRBVVEGSA-N,C25H37NO4,CCNC(=O)CCCC=CCC1C(O)CC(C1C=CC(CCc1ccccc1)O)O,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3+,17-16+/t20-,21+,22+,23-,24+/m0/s1",-4.3257,-3.8446,-3.8408,-2.8795,-2.1733,-1.9382,1.0999,1.1786,1.2363,1.4665,1.5252,D02724_S01EE03,0006000000000224030006010000000000000090004240000024008000102000180050004080000100060018000100000122000010204101000000020000000008000800040400000000a000028002040090014000023008c8881800000800000204002800000000000000000000280000060100020910000000008100000100,0400002c00b001,1728000000000000000080000a0000000000000000000000000000000000000000000200432804,00000000000010000000028f8c6832c00d4ce6ff1f,0,6,59,3,0,13,67,68,-9.26,1.208,5,0.0,0.826582313,-,1.2344,-,1.2344,https://www.genome.jp/dbget-bin/www_bget?dr:D02724
5289,D01964, Travoprost (JAN/USAN/INN), Prostaglandin analogues,S01EE04,SENSORY ORGANS,[C@H]1([C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@H](COc1cc(ccc1)C(F)(F)F)O)C/C=C/CCCC(=O)OC(C)C,500.548,4.4274,126.17,96.22,41,3,6,MKPLKVHSHYCHOC-JPVYXPJZSA-N,C26H35F3O6,CC(OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O)C,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19-,21-,22-,23+,24-/m1/s1",-4.4574,-4.1849,-4.1806,-4.1802,-2.9901,-2.8699,1.1246,1.1996,1.2395,1.2433,1.4862,D01964_S01EE04,00020000000012240000020100020000000080900042400000040080001420001000400800a00005000a00082000000001a202001020480100000002000082000830080005042001800080010280820408900040000300005888100000000000020400280004200200000002001028000003010008091020080000c100000104,0400002c70b005,172902000000000000009000000000000000000000000000000000000000000000000200632805,000000000002100080020087849e21e42d4cb6d71e,3,6,62,3,0,14,70,71,-9.779,0.23600000000000002,5,0.0,0.825720549,-,2.039,-,2.039,https://www.genome.jp/dbget-bin/www_bget?dr:D01964
5290,D06274, Tafluprost (JAN/USAN/INN), Prostaglandin analogues,S01EE05,SENSORY ORGANS,C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C/CCCC(=O)OC(C)C)/C=C/C(OCc1ccccc1)(F)F)O,452.531,4.7783,119.706,75.99,39,2,5,WYJMKIVCGFEHPM-WGBHBAPNSA-N,C25H34F2O5,CC(OC(=O)CCCC=CCC1C(O)CC(C1C=CC(OCc1ccccc1)(F)F)O)C,"InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)31-17-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3+,15-14+/t20-,21-,22+,23-/m1/s1",-6.2478,-4.4681,-3.9681,-3.9629,-3.0374,-2.9891,1.2167,1.2176,1.261,1.537,2.3749,D06274_S01EE05,1002000000000a640000020100020002200000d00042480000240080001420001000400000800001200a0008200000000120000010205021020000020000820008100802040400000000810000800204009000400002004048881000000100000204002800000002004800001000280000030100000110000020008100000100,0400002c30b005,17a900000000006000009000000000000000000000000000000000000000000000000200432805,000000000002100000020087849e20e42d4cb6d71e,2,6,58,3,0,13,66,67,-9.696,0.78,4,1.0,0.817244112,-,1.7116,-,1.7116,https://www.genome.jp/dbget-bin/www_bget?dr:D06274
5291,D07775, Dapiprazole (INN), Other antiglaucoma preparations,S01EX02,SENSORY ORGANS,C1CCc2n(C1)c(nn2)CC[NH+]1CCN(CC1)c1ccccc1C,326.459,2.5046,105.23299999999999,38.39,31,1,4,RFWZESUMWJKKRN-UHFFFAOYSA-O,C19H28N5+,Cc1ccccc1N1CC[NH+](CC1)CCc1nnc2n1CCCC2,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3/p+1",-5.9689,-4.567,-4.5475,-4.5454,-3.0162,-2.9944,1.5697,1.5777,1.6707,1.7196,1.7339,D07775_S01EX02,000200208000008000400600048008088010011000000010000200c00010000012045002210000251020403a000c304001022400080040080000000e008024800c200800400002010020800006000000c088014204812000c01a0410000100000002002000008005440000000000080100060104201110400800000102400004,0100000000f021,030040020500000000000000000000000000000000009800000000000000000000004600c03200,000000002000092001d436a49a49a08b51a36dad17,0,11,44,0,0,4,52,55,-11.782,-3.612,0,1.0,0.019183526,+,2.26,-,2.26,https://www.genome.jp/dbget-bin/www_bget?dr:D07775
5292,D03648, Dapiprazole hydrochloride (USAN), Other antiglaucoma preparations,S01EX02,SENSORY ORGANS,C1CCc2n(C1)c(nn2)CC[NH+]1CCN(CC1)c1ccccc1C,326.459,2.5046,105.23299999999999,38.39,31,1,4,RFWZESUMWJKKRN-UHFFFAOYSA-O,C19H28N5+,Cc1ccccc1N1CC[NH+](CC1)CCc1nnc2n1CCCC2,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3/p+1",-5.9817,-4.5629,-4.5464,-4.5423,-3.0142,-3.0101,1.5591,1.5744,1.5968,1.7289,1.7309999999999999,D03648_S01EX02,000200208000008000400600048008088010011000000010000200c00010000012045002210000251020403a000c304001022400080040080000000e008024800c200800400002010020800006000000c088014204812000c01a0410000100000002002000008005440000000000080100060104201110400800000102400004,0100000000f021,030040020500000000000000000000000000000000009800000000000000000000004600c03200,000000002000092001d436a49a49a08b51a36dad17,0,11,44,0,0,4,52,55,-11.783,-3.613,0,-3.0,0.019183526,+,2.26,-,2.26,https://www.genome.jp/dbget-bin/www_bget?dr:D03648
5293,D07759, Cyclopentolate (INN), Anticholinergics,S01FA04,SENSORY ORGANS,c1cccc(c1)[C@@H](C(=O)OCC[NH+](C)C)C1(CCCC1)O,292.393,0.763,84.0025,50.97,29,2,3,SKYSRIRYMSLOIN-HNNXBMFYSA-O,C17H26NO3+,O=C(C(C1(O)CCCC1)c1ccccc1)OCC[NH+](C)C,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3/p+1/t15-/m0/s1",-6.0267,-4.6142,-4.6138,-4.5507,-4.4178,-2.9704,1.5838,1.5853,1.6088,1.8647,1.955,D07759_S01FA04,00060000002002000200060102020000000000000000000000000080000400101000400000000013000a0008200101000100000000204005000000020000860808100800081004400000a0000880001500900040000030084008080100080000400000000000000000000000c000080000070180020300000000000100000100,0500004c30f005,064840020400000000009000000000000000000000000000000000000000000000000200c02a05,0000000000000100020232d788d02c660d46def71f,0,6,41,1,0,7,47,48,-12.088,-4.42,1,2.0,0.003113697,-,0.5153,-,0.5153,https://www.genome.jp/dbget-bin/www_bget?dr:D07759
5294,D01002, Cyclopentolate hydrochloride (JP17/USP), Anticholinergics,S01FA04,SENSORY ORGANS,c1cccc(c1)[C@@H](C(=O)OCC[NH+](C)C)C1(CCCC1)O,292.393,0.763,84.0025,50.97,29,2,3,SKYSRIRYMSLOIN-HNNXBMFYSA-O,C17H26NO3+,O=C(C(C1(O)CCCC1)c1ccccc1)OCC[NH+](C)C,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3/p+1/t15-/m0/s1",-6.056,-4.6388,-4.6118,-4.588,-4.3782,-2.9606,1.5994,1.6126,1.7739,2.039,2.5875,D01002_S01FA04,00060000002002000200060102020000000000000000000000000080000400101000400000000013000a0008200101000100000000204005000000020000860808100800081004400000a0000880001500900040000030084008080100080000400000000000000000000000c000080000070180020300000000000100000100,0500004c30f005,064840020400000000009000000000000000000000000000000000000000000000000200c02a05,0000000000000100020232d788d02c660d46def71f,0,6,41,1,0,7,47,48,-12.091,-4.418,1,,0.0031131640000000003,-,0.5153,-,0.5153,https://www.genome.jp/dbget-bin/www_bget?dr:D01002
5295,D01004, Homatropine hydrobromide (JP17/USP), Anticholinergics,S01FA05,SENSORY ORGANS,C1C[C@H]2[N@H+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)O)C,276.351,2.0405,80.6635,50.97,25,2,3,ZTVIKZXZYLEVOL-CBBWQLFWSA-O,C16H22NO3+,OC(c1ccccc1)C(=O)OC1CC2CCC(C1)[NH+]2C,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/p+1/t12-,13+,14+,15-/m1/s1",-6.0333,-4.6261,-4.5928,-4.5893,-4.4125,-3.3169,1.5489,1.5517,1.5535,1.6048,1.9621,D01004_S01FA05,00260000002002400600060000020000201000100000000000000080010400001000500880000005300a001820000100010200000020c004000000020000a2080890080000000440000088000280000100d0015000002008c0080800000100004000002000000000104000004000080000070100000110000000000140000000,0500002c30f005,022840020400000000009000000000000000000000000000000000000000000000008600c02a04,000004000000010080041496834928e70d45cffa1f,0,6,37,1,0,4,42,44,-11.960999999999999,-4.003,3,1.0,0.001211856,-,0.7816,-,0.7816,https://www.genome.jp/dbget-bin/www_bget?dr:D01004
5296,D02070, Homatropine methylbromide (USP), Anticholinergics,S01FA05,SENSORY ORGANS,C1C[C@H]2[N+]([C@@H]1C[C@H](C2)OC(=O)[C@@H](c1ccccc1)O)(C)C,290.377,1.9918,85.5648,46.53,27,1,3,WKWOJBUWWZTUQV-FXUDXRNXSA-N,C17H24NO3+,OC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C17H24NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12/h3-7,13-16,19H,8-11H2,1-2H3/q+1/t13-,14+,15+,16-/m1/s1",-4.8535,-4.85,-4.704,-4.7024,-4.4732,-3.3468,1.4946,1.5343,1.5505,1.5911,1.9113,D02070_S01FA05,00260000002002400600060000020000201000100000000000000080010400001000500880000005300a001820000100010200000020c004000000020000a2080890080000000440000088000280000100d0015000002008c0080800000100004000002000000000104000004000080000070100000110000000000140000000,0500002c30f005,022840040400000000009000000000000000000000000000000000000000000000008600c02a04,00000420000001008006349003c928e709459ffa1f,0,6,40,1,0,4,45,47,-11.931,-4.025,3,1.0,0.000111454,-,0.8993,-,0.8993,https://www.genome.jp/dbget-bin/www_bget?dr:D02070
5297,D00397, Tropicamide (JP17/USP/INN), Anticholinergics,S01FA06,SENSORY ORGANS,[C@H](c1ccccc1)(C(=O)N(Cc1ccncc1)CC)CO,284.353,2.2062,81.9828,53.43,24,1,4,BGDKAVGWHJFAGW-INIZCTEOSA-N,C17H20N2O2,CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3/t16-/m0/s1",-3.8485,-3.8011,-2.8608,-1.9437,-1.9138,-1.4598,1.0746,1.1425,1.2942,1.3438,1.4741,D00397_S01FA06,2006000000a0002003000600000100040000008000000000000000c001400000180040818000802100862018000000c0000200000000a00000000002080000080c000c00000404400000000002880091009000400400200840080800800000000010000000000000000000004000040000060100004110000008800002000000,0400001c00b001,051800000000000000008000120000000000000000009000000000000000000000000600403805,0000000000000000010032090b301a83002709ff1f,0,12,29,1,0,7,41,42,-9.824,0.008,1,,0.237416983,-,0.3574,-,0.3574,https://www.genome.jp/dbget-bin/www_bget?dr:D00397
5298,D02133, Naphazoline hydrochloride - pheniramine, Sympathomimetics used as decongestants,S01GA51,SENSORY ORGANS,c1cccc(n1)[C@@H](c1ccccc1)CC[NH+](C)C,241.351,1.7481,77.0717,17.33,22,1,1,IJHNSHDBIRRJRN-OAHLLOKOSA-O,C16H21N2+,C[NH+](CCC(c1ccccn1)c1ccccc1)C,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1",-6.0438,-4.61,-4.6066,-4.5605,-1.4156,-1.0902,1.4543,1.4726,1.5689,1.5814,1.5852,D02133_S01GA51,00060020000000000a008600840000000001005040000000000000a0000000001000400000008020008000180001006001000000080020000100000600000000840004020000020000000000000800000080804004803008c008080000080000001000012000000000000800200004000006011000411000000200000a000000,0100000000f001,060040020400000000000000000000000000000000009000000000000000000000000600c02204,0000000000000100010232108a402c0300215dad17,0,12,28,0,0,5,39,40,-12.264000000000001,-4.006,1,,0.004426755,+,0.7313,-,0.7313,https://www.genome.jp/dbget-bin/www_bget?dr:D02133
5299,D08139, Lodoxamide (INN), Other antiallergics,S01GX05,SENSORY ORGANS,c1c(c(c(cc1C#N)NC(=O)C(=O)O)Cl)NC(=O)C(=O)O,311.635,0.40388,68.336,156.59,13,4,9,RVGLGHVJXCETIO-UHFFFAOYSA-N,C11H6ClN3O6,N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl,"InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",-5.0138,-5.0022,-4.8595,-4.8579,-4.234,-4.2223,2.3402,2.3419,2.6818,2.6957,4.2013,D08139_S01GX05,0002020000500000010406000080c00080000000000404088004108000200c000000410000240022000f000800001040000000000000c00800000022000044000800080040000000000210000480000200e80040040028005008800000000004000000080008004000000000a000080c00060100001100400000000002c00000,0400000c00b013,0000000000000000000088000a00000010000000000400000000000000000000000002c0402800,00000000000130008080404840241004f4ac627a1f,0,6,16,4,1,6,27,27,-3.552,4.225,0,2.0,3.4379599999999996e-10,-,1.13,-,1.13,https://www.genome.jp/dbget-bin/www_bget?dr:D08139
5300,D04760, Lodoxamide ethyl (USAN), Other antiallergics,S01GX05,SENSORY ORGANS,c1c(c(c(cc1C#N)NC(=O)C(=O)OCC)Cl)NC(=O)C(=O)OCC,367.741,1.3608799999999999,86.5904,134.59,23,2,9,BNTAPIYHWPPFBW-UHFFFAOYSA-N,C15H14ClN3O6,CCOC(=O)C(=O)Nc1cc(C#N)cc(c1Cl)NC(=O)C(=O)OCC,"InChI=1S/C15H14ClN3O6/c1-3-24-14(22)12(20)18-9-5-8(7-17)6-10(11(9)16)19-13(21)15(23)25-4-2/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21)",-4.8671,-4.8473,-4.2298,-4.2178,-3.5798,-3.5655,1.6355,1.6372,1.9196,1.9226,4.2474,D04760_S01GX05,0002020000500000010406000082c00080000000000404088004108000240c000400410000240032000f000800001040000000000000c008000000a2000046000800080048100000000210000480000200e8004004002c005008800000000004000000080008004000000000a000080c00060180001100400000000002c00000,0400000030b015,0100000000000000000090000a00000010000000000400000000000000000000000002c0402800,00000000000110008080404c40341224f4aa72ff1f,0,6,28,4,1,10,39,39,-10.004,-1.003,0,,0.143771186,-,1.2848,-,1.2848,https://www.genome.jp/dbget-bin/www_bget?dr:D04760
5301,D04762, Lodoxamide tromethamine (USAN), Other antiallergics,S01GX05,SENSORY ORGANS,c1c(c(c(cc1C#N)NC(=O)C(=O)O)Cl)NC(=O)C(=O)O,311.635,0.40388,68.336,156.59,13,4,9,RVGLGHVJXCETIO-UHFFFAOYSA-N,C11H6ClN3O6,N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl,"InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",-5.0098,-5.0009,-4.869,-4.8637,-4.2277,-4.2204,2.3295,2.3392,2.6706,2.6915,4.2586,D04762_S01GX05,0002020000500000010406000080c00080000000000404088004108000200c000000410000240022000f000800001040000000000000c00800000022000044000800080040000000000210000480000200e80040040028005008800000000004000000080008004000000000a000080c00060100001100400000000002c00000,0400000c00b013,0000000000000000000088000a00000010000000000400000000000000000000000002c0402800,00000000000130008080404840241004f4ac627a1f,0,6,16,4,1,6,27,27,-3.551,4.226,0,2.0,3.43054e-10,-,1.13,-,1.13,https://www.genome.jp/dbget-bin/www_bget?dr:D04762
5302,D07890, Emedastine (INN), Other antiallergics,S01GX06,SENSORY ORGANS,C1CCN(CC[N@H+]1C)c1n(c2c(n1)cccc2)CCOCC,303.422,2.4318,98.5307,34.73,30,1,4,KBUZBQVCBVDWKX-UHFFFAOYSA-O,C17H27N4O+,CCOCCn1c(nc2c1cccc2)N1CCC[NH+](CC1)C,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3/p+1",-6.0426,-4.6399,-4.618,-4.5569999999999995,-3.0469,-2.9316,1.6061,1.6155,1.7262,1.8143,2.8406,D07890_S01GX06,800200000010084010184600180200093000000000020002000000000004000010006006010880273000007e000000c80012a0000000601000400000000020000cc01c00c01020000020480002100000008001400c802009e00904201001000000001000000000000040000040000c0000060084400010800004000006000000,0100000030f021,038040020400000000000000000000000000000000009800000000000000000000004600c03204,000004010000012001d436d6985baea359a37cbd1f,0,10,41,0,0,5,49,51,-11.302,-3.928,1,0.0,0.000760377,+,0.8289,-,0.8289,https://www.genome.jp/dbget-bin/www_bget?dr:D07890
5303,D02249, Emedastine difumarate (JP17/USP), Other antiallergics,S01GX06,SENSORY ORGANS,C1CCN(CC[N@H+]1C)c1n(c2c(n1)cccc2)CCOCC,303.422,2.4318,98.5307,34.73,30,1,4,KBUZBQVCBVDWKX-UHFFFAOYSA-O,C17H27N4O+,CCOCCn1c(nc2c1cccc2)N1CCC[NH+](CC1)C,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3/p+1",-6.0428,-4.6363,-4.5893,-4.5663,-2.9635,-2.9499,1.6059,1.6096,1.6171,1.7593,2.7795,D02249_S01GX06,800200000010084010184600180200093000000000020002000000000004000010006006010880273000007e000000c80012a0000000601000400000000020000cc01c00c01020000020480002100000008001400c802009e00904201001000000001000000000000040000040000c0000060084400010800004000006000000,0100000030f021,038040020400000000000000000000000000000000009800000000000000000000004600c03204,000004010000012001d436d6985baea359a37cbd1f,0,10,41,0,0,5,49,51,-11.306,-3.928,1,,0.000759518,+,0.8289,-,0.8289,https://www.genome.jp/dbget-bin/www_bget?dr:D02249
5304,D06552, Alcaftadine (JAN/USAN/INN), Other antiallergics,S01GX11,SENSORY ORGANS,C1c2c(/C(=C\3/CC[N@@H+](CC3)C)/c3n(C1)c(cn3)C=O)cccc2,308.397,2.9313,96.0012,39.33,24,1,3,MWTBKTRZPHJQLH-UHFFFAOYSA-O,C19H22N3O+,O=Cc1cnc2n1CCc1c(C2=C2CC[NH+](CC2)C)cccc1,"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3/p+1",-6.0433,-4.6252,-4.5636,-4.5514,-3.9803,-1.4088,1.4554,1.4569999999999999,1.5390000000000001,1.571,1.5719999999999998,D06552_S01GX11,00060122040008e40b0c4680060040040096005010204000000000c2000004011804558100c00021008214180000108001020040000040004100000a00840000c6000c02820402020000b000829000000088815028802808d81818580401100009140228a002088000000804600008221006011000071010001200290a000800,0d00000000f001,120040020480000000000000000000004000000000009800000000000000000000004640c03204,0000040020000320015c36d49f41ac8301a34dab1f,0,11,35,2,0,1,45,48,-11.923,-3.8280000000000003,0,-1.0,0.009720724,+,1.1436,-,1.1436,https://www.genome.jp/dbget-bin/www_bget?dr:D06552
5305,D08448, Proxymetacaine (INN), Local anesthetics,S01HA04,SENSORY ORGANS,c1(cc(c(cc1)OCCC)N)C(=O)OCC[NH+](CC)CC,295.397,1.7203,86.4206,65.99,31,2,4,KCLANYCVBBTKTO-UHFFFAOYSA-O,C16H27N2O3+,CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3/p+1",-6.0317,-5.1012,-5.0866,-4.5598,-4.5565,-4.524,1.5802,1.5829,1.5973,1.6706,1.9036,D08448_S01HA04,00020000000000c000000600000240000100000000004a0000200080000404001400400000000033200a0208000000400000028000000100000000020000061008600812491000010000010002808000008000400410240040080000000101000000000000000402004000029010008000060180090300200808000002000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,41,1,0,10,48,48,-10.382,-4.112,0,1.0,9.25543e-05,+,0.3942,-,0.3942,https://www.genome.jp/dbget-bin/www_bget?dr:D08448
5306,D02098, Proparacaine hydrochloride (USP), Local anesthetics,S01HA04,SENSORY ORGANS,c1(cc(c(cc1)OCCC)N)C(=O)OCC[NH+](CC)CC,295.397,1.7203,86.4206,65.99,31,2,4,KCLANYCVBBTKTO-UHFFFAOYSA-O,C16H27N2O3+,CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3/p+1",-6.0293,-5.1164,-5.079,-4.5637,-4.5598,-4.5589,1.5604,1.5866,1.587,1.5878,1.7221,D02098_S01HA04,00020000000000c000000600000240000100000000004a0000200080000404001400400000000033200a0208000000400000028000000100000000020000061008600812491000010000010002808000008000400410240040080000000101000000000000000402004000029010008000060180090300200808000002000004,0500000070f025,0300420a0400000000009000000000000001000000000000000000000000000000000240c02200,000000000000010000003a4488582f665df2feff1f,0,6,41,1,0,10,48,48,-10.385,-4.113,0,,9.251459999999999e-05,+,0.3942,-,0.3942,https://www.genome.jp/dbget-bin/www_bget?dr:D02098
5307,D01261, Fluorescein (JAN/USP), Colouring agents,S01JA01,SENSORY ORGANS,C12(OC(=O)c3c2cccc3)c2c(cc(cc2)O)Oc2c1ccc(c2)O,332.306,3.6658,88.7435,75.99,17,2,5,GNBHRKFJIUUOQI-UHFFFAOYSA-N,C20H12O5,Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",-4.2922,-3.0274,-2.8754,-1.6604,-0.9808,-0.9705,0.5531,0.5611,0.7573,0.7577,1.5319999999999998,D01261_S01JA01,00040000005402c202000200808300020000204000005a00002200e0000400001400400708400000600b022800004000000802000020000000020002000802000820080201000001000021000280000000880040000000084008080004010000000a00054004004200c000081010000000820100080100200808000001000000,04000004b2b005,00000400000000000000a000000000000001000000010000000000000000000000006640400000,0000000000000001020004811281814404cd83521e,0,18,22,1,0,0,37,41,-9.482999999999999,-0.525,0,0.0,0.596118689,+,1.3101,-,1.3101,https://www.genome.jp/dbget-bin/www_bget?dr:D01261
5308,D02024, Fluorescein sodium (JP17/USP), Colouring agents,S01JA01,SENSORY ORGANS,c12c(c(c3c(o1)cc(=O)cc3)c1ccccc1C(=O)O)ccc(c2)O,332.306,3.9686,93.5243,87.74,14,2,5,YKGGGCXBWXHKIZ-UHFFFAOYSA-N,C20H12O5,Oc1ccc2c(c1)oc1c(c2c2ccccc2C(=O)O)ccc(=O)c1,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)",-4.4106,-4.2582,-3.6274,-1.3305,-0.8391,-0.7435,0.6447,0.7447,0.7976,0.8386,2.3122,D02024_S01JA01,00000008440008c0040a820140600100400000083400000400000080000000080400580800400050280a020880402400000222400002000c400800020040060008024800200010a0880820000284014200881041a00000044008004002414a02000280400200000220c000800002000001020100000108200908200000a04008,0400000c02b003,00000000000000000000880000000000400100000001a100000000000000000000004640402800,0000000000000021000000011201014484cda3521e,0,21,17,2,0,2,37,40,-1.646,4.867,0,,0.001307641,+,1.3989,-,1.3989,https://www.genome.jp/dbget-bin/www_bget?dr:D02024
5309,D05762, Rose bengal sodium I 125 (USAN), Colouring agents,S01JA02,SENSORY ORGANS,c1(c(c(c2c(c1)c(c1c(o2)c(c(=O)c(c1)I)I)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O)I)O)I,973.673,9.0006,164.43200000000002,87.74,6,2,5,VDNLFJGJEQUWRB-UHFFFAOYSA-N,C20H4Cl4I4O5,Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)O)c1c2cc(I)c(=O)c(c2oc2c1cc(I)c(c2I)O)I,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)",-4.4272,-4.2331,-3.6208,-1.3219999999999998,-0.9533,-0.7412,0.7043,0.8027,0.8324,0.8733,2.2971,D05762_S01JA02,00000209540028c0040a82014060010040000008340044240002308001200008a480580800400050280b0208c051250000222a400003000c600800178048060018024800200018a0880c2002c685014200889041a0000004400808c002414a02000280460200000620c000900112200001028100000138200918201000b04008,0400000c02b003,00000000000000000000880000000000400500000025a100000000000000000000004640402800,00000004000000210000400152050144a4cda3521e,0,21,17,2,0,2,37,40,-2.7289999999999996,2.674,0,1.0,0.9710206990000001,+,2.6899,-,2.6899,https://www.genome.jp/dbget-bin/www_bget?dr:D05762
5310,D05763, Rose bengal sodium I 131 (USP), Colouring agents,S01JA02,SENSORY ORGANS,c1(c(c(c2c(c1)c(c1c(o2)c(c(=O)c(c1)I)I)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O)I)O)I,973.673,9.0006,164.43200000000002,87.74,6,2,5,VDNLFJGJEQUWRB-UHFFFAOYSA-N,C20H4Cl4I4O5,Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)O)c1c2cc(I)c(=O)c(c2oc2c1cc(I)c(c2I)O)I,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)",-4.4173,-4.2567,-3.6193,-1.3212,-0.9601,-0.7344,0.6764,0.8139,0.8407,0.8558,2.295,D05763_S01JA02,00000209540028c0040a82014060010040000008340044240002308001200008a480580800400050280b0208c051250000222a400003000c600800178048060018024800200018a0880c2002c685014200889041a0000004400808c002414a02000280460200000620c000900112200001028100000138200918201000b04008,0400000c02b003,00000000000000000000880000000000400500000025a100000000000000000000004640402800,00000004000000210000400152050144a4cda3521e,0,21,17,2,0,2,37,40,-2.7289999999999996,2.674,0,0.0,0.9710206990000001,+,2.6899,-,2.6899,https://www.genome.jp/dbget-bin/www_bget?dr:D05763
5311,D01162, Verteporfin (JAN/USAN/INN), Antineovascularisation agents,S01LA01,SENSORY ORGANS,C\1/2=C\C3=N/C(=C\c4c(c(c([nH]4)/C=C/4\N=C(/C=C(\N1)/[C@]1(C2=CC=C([C@H]1C(=O)OC)C(=O)OC)C)C(=C4CCC(=O)OC)C)CCC(=O)O)C)/C(=C3C)C=C,718.794,5.122999999999999,212.141,168.74,52,3,11,ZCQHFRFEJXRZDF-YWANUUMDSA-N,C41H42N4O8,COC(=O)CCC1=C(C)C2=NC1=Cc1[nH]c(c(c1CCC(=O)O)C)C=C1N=C(C=C3NC(=C2)C2(C)C(C(=O)OC)C(=CC=C32)C(=O)OC)C(=C1C=C)C,"InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,33-18-,34-17-,35-19-/t38-,41+/m0/s1",-4.8155,-4.5447,-4.4502,-4.4248,-4.3804,-3.3680000000000003,1.5539,1.6583,1.7293,2.0356,2.374,D01162_S01LA01,300a88476012806402842e885642500c019f44f208624848010003a28138a40d120a530261e0c071108e10381160100569a20252982469104443405b004d8322ce043c000604020180a8a3a91a80160c01924140141235429f801928620dc0111a0430386832189115301004200039621027a3d4004330204188048952065f01,0400000c30b007,1f004001000008000008980000000000000100000000840000000000000000000000c640407805,000000020210020003a804969489e8258cbd76fe1f,0,5,80,15,0,12,95,100,-4.587,-0.594,2,1.0,0.029372368,+,16.2072,-,16.2072,https://www.genome.jp/dbget-bin/www_bget?dr:D01162
5312,D01733, Anecortave acetate (JAN/USAN), Antineovascularisation agents,S01LA02,SENSORY ORGANS,C12=CC[C@]3([C@H]([C@@H]1CCC1=CC(=O)CC[C@]21C)CC[C@@]3(C(=O)COC(=O)C)O)C,386.481,3.3017,105.63600000000001,80.67,35,1,5,YUWPMEXLKGOSBF-GACAOOTBSA-N,C23H30O5,CC(=O)OCC(=O)C1(O)CCC2C1(C)CC=C1C2CCC2=CC(=O)CCC12C,"InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1",-4.3928,-3.3079,-3.0168,-2.9703,-2.3204,-1.8172,1.3583,1.3849,1.4121,1.4326,1.5403,D01733_S01LA02,00000002000002240a00000100020000000000800042400000000000000420001408000000800001800a000021000000012002000020410320000080000082000810080000040000000080000880020400d000400000000008801001000000010204000080000000000000004000080000030900000100000000008102000100,1400004c30a005,1f4800000000010000009000000000000001000000000000000000000000000000004040407805,00000002000002008208008794992ce4895cb7d71c,0,0,56,5,0,4,58,61,-9.714,-0.163,5,,0.393223941,-,2.4964,-,2.4964,https://www.genome.jp/dbget-bin/www_bget?dr:D01733
5313,D01037," 1,4-Dimethyl-7-isopropylazulene (JAN)", Other ophthalmologicals,S01XA01,SENSORY ORGANS,c1(c2c(cc(cc1)C(C)C)c(cc2)C)C,198.303,4.5316,67.57600000000001,0.0,18,0,0,FWKQNCXZGNBPFD-UHFFFAOYSA-N,C15H18,CC(c1ccc(c2c(c1)c(C)cc2)C)C,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",-0.3009,-0.3001,-0.2983,-0.2964,-0.2963,-0.1846,0.2035,0.2037,0.2046,0.2203,0.2405,D01037_S01XA01,000400000000000002000200004000004100000000000000800000800000000010004000000000100800000c000000000000201000000004001000020000020008200800000000200000200000000000008800400000000840000800000100000000000000000000000000000100000080020100000100000100000000200000,00000000001001,050000000000000000000000000000000000000000000000000000000000000000004200002000,000004000000000000020080100100000090108012,0,10,24,0,0,1,33,34,-7.892,-0.993,0,,0.08794526,+,1.2354,-,1.2354,https://www.genome.jp/dbget-bin/www_bget?dr:D01037
5314,D02075, Sodium gualenate (INN), Other ophthalmologicals,S01XA01,SENSORY ORGANS,c1(c2c(cc(cc1)C(C)C)c(cc2S(=O)(=O)O)C)C,278.367,4.8591,77.4348,62.75,20,1,3,VIZXMHCBZLGUET-UHFFFAOYSA-N,C15H18O3S,CC(c1ccc(c2c(c1)c(C)cc2S(=O)(=O)O)C)C,"InChI=1S/C15H18O3S/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18/h5-9H,1-4H3,(H,16,17,18)",-9.7427,-9.6832,-9.1111,-2.0247,-1.5156,-1.2127,0.8876,1.0988,2.4130000000000003,2.6073,2.6489,D02075_S01XA01,200401000050000242000200004000026100004000000000800040800420000018004008080000100800000c000000800020201000000004001000028000020008200800000220a0020020000000000200880060002000084000080000090000040210000880000000000100010100008002d100000100004110800000200000,0000000000b001,050000000000000000000000000000000000000000000000000022000000000000004240402800,00000400c080449e140381803083000882941ac01a,0,10,26,2,0,2,37,38,-5.098,1.795,0,1.0,4.03135e-05,-,1.2367,-,1.2367,https://www.genome.jp/dbget-bin/www_bget?dr:D02075
5315,D02706, Sodium gualenate hydrate (JAN), Other ophthalmologicals,S01XA01,SENSORY ORGANS,c1(c2c(cc(cc1)C(C)C)c(cc2S(=O)(=O)O)C)C,278.367,4.8591,77.4348,62.75,20,1,3,VIZXMHCBZLGUET-UHFFFAOYSA-N,C15H18O3S,CC(c1ccc(c2c(c1)c(C)cc2S(=O)(=O)O)C)C,"InChI=1S/C15H18O3S/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18/h5-9H,1-4H3,(H,16,17,18)",-9.7066,-9.6976,-9.141,-2.0282,-1.5490000000000002,-1.2074,0.9034,1.0926,2.4137,2.6081,2.6577,D02706_S01XA01,200401000050000242000200004000026100004000000000800040800420000018004008080000100800000c000000800020201000000004001000028000020008200800000220a0020020000000000200880060002000084000080000090000040210000880000000000100010100008002d100000100004110800000200000,0000000000b001,050000000000000000000000000000000000000000000000000022000000000000004240402800,00000400c080449e140381803083000882941ac01a,0,10,26,2,0,2,37,38,-5.099,1.797,0,,4.03516e-05,-,1.2367,-,1.2367,https://www.genome.jp/dbget-bin/www_bget?dr:D02706
5316,D03945, Disodium edetate, Other ophthalmologicals,S01XA05,SENSORY ORGANS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0063,-5.9931,-5.0256,-5.0249,-5.005,-4.9419,3.2055,3.3247,3.5034,3.5106,3.5235,D03945_S01XA05,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.4030000000000005,4.208,0,,,+,1.7047,-,1.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D03945
5317,D03945, Disodium edetate, Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0081,-5.9874,-5.0418,-5.0363,-5.011,-4.9517,2.7488,3.3095,3.5121,3.5155,3.5194,D03945_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.4030000000000005,4.208,0,,,+,1.7047,-,1.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D03945
5318,D01802, Edetate disodium (USP), Other ophthalmologicals,S01XA05,SENSORY ORGANS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0178,-5.9963,-5.0596,-4.9852,-4.9647,-4.9297,2.7204,3.3193,3.4964,3.4985,3.5193,D01802_S01XA05,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.405,4.212,0,0.0,,+,1.7047,-,1.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D01802
5319,D01802, Edetate disodium (USP), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0229,-6.0063,-5.0296,-4.9848,-4.9594,-4.9079,2.8638,3.31,3.4952,3.5145,3.5193,D01802_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.405,4.212,0,0.0,,+,1.7047,-,1.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D01802
5320,D03946, Edetate sodium (USAN), Other ophthalmologicals,S01XA05,SENSORY ORGANS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.025,-5.996,-5.0382,-4.9682,-4.9262,-4.9143,2.7639,3.3019,3.4912,3.4983,3.5046,D03946_S01XA05,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.4030000000000005,4.208,0,1.0,,-,1.7249,-,1.7249,https://www.genome.jp/dbget-bin/www_bget?dr:D03946
5321,D03946, Edetate sodium (USAN), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0356,-6.0023,-5.0141,-4.9789,-4.9553,-4.9447,2.7106,3.3005,3.5088,3.51,3.5105,D03946_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.4030000000000005,4.208,0,1.0,,-,1.7249,-,1.7249,https://www.genome.jp/dbget-bin/www_bget?dr:D03946
5322,D03947, Edetate trisodium (USAN), Other ophthalmologicals,S01XA05,SENSORY ORGANS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0171,-5.9902,-5.0361,-5.0265,-4.9957,-4.934,2.7357,3.3254,3.4986,3.5067,3.5067,D03947_S01XA05,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.405,4.208,0,,,+,1.7115,-,1.7115,https://www.genome.jp/dbget-bin/www_bget?dr:D03947
5323,D03947, Edetate trisodium (USAN), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0279,-6.022,-5.0049,-4.9955,-4.9751,-4.9245,2.6605,3.2939,3.5045,3.5089,3.5099,D03947_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.405,4.208,0,,,+,1.7115,-,1.7115,https://www.genome.jp/dbget-bin/www_bget?dr:D03947
5324,D01724," Alum, potassium (USP)", Other ophthalmologicals,S01XA07,SENSORY ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.8261,-10.8255,-10.2272,-10.2271,-1.7394,-1.7393,2.6002,2.6003,2.6003,2.6766,5.6506,D01724_S01XA07,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.238,0,1.0,2.3500200000000002e-32,+,1.1578,-,1.1578,https://www.genome.jp/dbget-bin/www_bget?dr:D01724
5325,D02842," Alum, ammonium (USP)", Other ophthalmologicals,S01XA07,SENSORY ORGANS,S(=O)(=O)(O)O,98.0785,0.428,14.2216,82.98,4,2,4,QAOWNCQODCNURD-UHFFFAOYSA-N,H2O4S,OS(=O)(=O)O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",-10.825999999999999,-10.8258,-10.2272,-10.2271,-1.7394,-1.7393,2.6002,2.6003,2.6004,2.6767,5.6504,D02842_S01XA07,2000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000020000000000000000000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000401000000000000000000000800,00000000c084401a1401800020820008860c0a4008,0,0,4,2,0,0,7,6,-0.40700000000000003,13.235,0,,2.34984e-32,+,0.9390000000000001,-,0.9390000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D02842
5326,D08247, Nalorphine (INN), Antidotes,V03AB02,VARIOUS,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)CC=C)O,312.383,1.9064,92.3735,54.13,25,3,3,UIQMVEYFGZJHCZ-SSTWWWIQSA-O,C19H22NO3+,C=CC[NH+]1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)O,"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/p+1/t12-,13+,15-,18-,19-/m0/s1",-6.0492,-5.8562,-4.5933,-4.5007,-2.8574,-1.7819,1.5896,1.5923,1.8109,1.8192,1.8709,D08247_V03AB02,402f0102000002240acc0700020300040000809000425a04012400c0001020001004548940e00005100020180001000001a2020010204904608100220002800818a00c02250424118000a121024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c32204,0000000002000101820436849ec1a1c305c7cf7d1f,0,6,41,2,0,2,45,49,-11.808,-3.565,6,0.0,0.001670424,-,1.569,-,1.569,https://www.genome.jp/dbget-bin/www_bget?dr:D08247
5327,D08248, Nalorphine hydrochloride (USP), Antidotes,V03AB02,VARIOUS,[C@@]123c4c5O[C@H]2[C@H](C=C[C@H]1[C@@H](Cc4ccc5O)[N@H+](CC3)CC=C)O,312.383,1.9064,92.3735,54.13,25,3,3,UIQMVEYFGZJHCZ-SSTWWWIQSA-O,C19H22NO3+,C=CC[NH+]1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)O,"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/p+1/t12-,13+,15-,18-,19-/m0/s1",-6.0488,-5.8561,-4.5905,-4.503,-2.8576,-1.781,1.5893,1.5934,1.8156,1.8194,1.8672,D08248_V03AB02,402f0102000002240acc0700020300040000809000425a04012400c0001020001004548940e00005100020180001000001a2020010204904608100220002800818a00c02250424118000a121024082004080815100033008ca181800900800004306003800100802020000c261101800000731800a0d1020080200cb00100004,0100002c52f001,1e2842020400000000000000000000000000000000010000000000000000000000006600c32204,0000000002000101820436849ec1a1c305c7cf7d1f,0,6,41,2,0,2,45,49,-11.808,-3.565,6,-1.0,0.001670424,-,1.569,-,1.569,https://www.genome.jp/dbget-bin/www_bget?dr:D08248
5328,D00052, Edetic acid (NF/INN), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0164,-5.9902,-4.9976,-4.9577,-4.9169,-4.9068,2.7054,3.2377,3.5115,3.5148,3.5227,D00052_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.406000000000001,4.207,0,0.0,,+,1.7346,-,1.7346,https://www.genome.jp/dbget-bin/www_bget?dr:D00052
5329,D00571, Edetate calcium disodium anhydrous (USP, Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0622,-5.9924,-5.013999999999999,-5.0072,-4.9385,-4.9319999999999995,2.9631,3.2995,3.4501,3.5038,3.5114,D00571_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.406000000000001,4.21,0,-2.0,,-,1.7249,-,1.7249,https://www.genome.jp/dbget-bin/www_bget?dr:D00571
5330,D03943, Edetate calcium disodium (USP), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.016,-6.0004,-5.0529,-4.9801,-4.9732,-4.9282,2.6963,3.3202,3.4944,3.5126,3.5294,D03943_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.4030000000000005,4.21,0,,,-,1.7249,-,1.7249,https://www.genome.jp/dbget-bin/www_bget?dr:D03943
5331,D03944, Edetate dipotassium (USAN), Antidotes,V03AB03,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0341,-6.0161,-5.0938,-4.9498,-4.9349,-4.9017,2.8894,3.3074,3.4734,3.5026,3.5047,D03944_V03AB03,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.405,4.212,0,0.0,,+,1.7047,-,1.7047,https://www.genome.jp/dbget-bin/www_bget?dr:D03944
5332,D00469, Pralidoxime chloride (USP), Antidotes,V03AB04,VARIOUS,c1(n(cccc1)C)/C=N/O,137.159,1.1143,39.4815,37.52,11,1,2,PFPAPEHZEODHOY-SOFGYWHQSA-N,C7H9N2O,ON=Cc1ccccn1C,"InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,10H,1H3/b8-6+",-2.6103,-2.1546,-2.1507,-1.875,-1.5801,-1.5401,0.5262,0.6365,0.8692,1.0305,1.729,D00469_V03AB04,0002000000000800000004000000000000000010000000400000000400000000100010000010008010000110000000000102400000200000000000000000000010000000000000000100000002000000000001500000230081000000c000100000200020400000000000000000000000000c0000000090000000000100000000,0000000000a001,020040020000200000000000000000000000000000000000000000000000000000000400432804,0000800000000000506430342b486c8b01252ca91d,0,0,23,1,0,1,24,24,-14.357000000000001,-5.9510000000000005,0,1.0,2.14998e-05,-,0.3254,-,0.3254,https://www.genome.jp/dbget-bin/www_bget?dr:D00469
5333,D01572, Pralidoxime iodide (JAN/USAN), Antidotes,V03AB04,VARIOUS,c1(n(cccc1)C)/C=N/O,137.159,1.1143,39.4815,37.52,11,1,2,PFPAPEHZEODHOY-SOFGYWHQSA-N,C7H9N2O,ON=Cc1ccccn1C,"InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,10H,1H3/b8-6+",-2.6103,-2.1546,-2.1507,-1.875,-1.5801,-1.5401,0.5262,0.6365,0.8692,1.0305,1.729,D01572_V03AB04,0002000000000800000004000000000000000010000000400000000400000000100010000010008010000110000000000102400000200000000000000000000010000000000000000100000002000000000001500000230081000000c000100000200020400000000000000000000000000c0000000090000000000100000000,0000000000a001,020040020000200000000000000000000000000000000000000000000000000000000400432804,0000800000000000506430342b486c8b01252ca91d,0,0,23,1,0,1,24,24,-14.360999999999999,-5.9510000000000005,0,-1.0,2.14964e-05,-,0.3254,-,0.3254,https://www.genome.jp/dbget-bin/www_bget?dr:D01572
5334,D05590, Pralidoxime mesylate (USAN), Antidotes,V03AB04,VARIOUS,c1(n(cccc1)C)/C=N/O,137.159,1.1143,39.4815,37.52,11,1,2,PFPAPEHZEODHOY-SOFGYWHQSA-N,C7H9N2O,ON=Cc1ccccn1C,"InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,10H,1H3/b8-6+",-2.6103,-2.1546,-2.1507,-1.875,-1.5801,-1.5401,0.5262,0.6365,0.8692,1.0305,1.729,D05590_V03AB04,0002000000000800000004000000000000000010000000400000000400000000100010000010008010000110000000000102400000200000000000000000000010000000000000000100000002000000000001500000230081000000c000100000200020400000000000000000000000000c0000000090000000000100000000,0000000000a001,020040020000200000000000000000000000000000000000000000000000000000000400432804,0000800000000000506430342b486c8b01252ca91d,0,0,23,1,0,1,24,24,-14.363,-5.95,0,1.0,2.15121e-05,-,0.3254,-,0.3254,https://www.genome.jp/dbget-bin/www_bget?dr:D05590
5335,D01091, Sodium thiosulfate (USP), Antidotes,V03AB06,VARIOUS,S(=S)(=O)(O)O,114.14399999999999,1.195,21.1261,98.0,4,2,4,DHCDFWKWKRSZHF-UHFFFAOYSA-N,H2O3S2,OS(=S)(=O)O,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",-7.0793,-7.0791,-6.5588,-6.4769,-1.7734,-1.7734,2.2811,2.4988,2.4988,2.5924,3.8906,D01091_V03AB06,2020010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000010000000000000000000000001000000008000000000000000000000000000000004000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000001000000000000000000000800,00000000c084401a140181002082000806040a4008,0,0,4,2,0,0,7,6,0.461,9.464,0,0.0,2.57919e-29,+,1.337,-,1.337,https://www.genome.jp/dbget-bin/www_bget?dr:D01091
5336,D05865, Sodium nitrite (USP), Antidotes,V03AB08,VARIOUS,N(=O)O,47.0134,0.142,7.5815,49.66,3,1,1,IOVCWXUNBOPUCH-UHFFFAOYSA-N,HNO2,ON=O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)",-0.32,-0.0758,0.0457,0.0539,0.2311,-1.7734,0.0,-0.32,-0.0758,0.0457,0.0539,D05865_V03AB08,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000100000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000001000000000000000000000000000800,000080000000004070000020200040080204004009,0,0,2,1,0,0,4,3,-3.2889999999999997,7.975,0,1.0,1.9251799999999999e-16,-,1.1772,-,1.1772,https://www.genome.jp/dbget-bin/www_bget?dr:D05865
5337,D00167, Dimercaprol (JP17/USP/INN), Antidotes,V03AB09,VARIOUS,[C@H](CO)(CS)S,124.225,0.2069,33.5548,97.83,11,3,3,WQABCVAJNWAXTE-VKHMYHEASA-N,C3H8OS2,OCC(CS)S,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m0/s1",-1.9228,-0.9176,-0.9153,-0.7919,-0.7908,-0.7604,0.5169,0.6038,0.7019,0.8278,0.8546,D00167_V03AB09,0000010504000000000000000000000000000000000000000000000000000000100000000004000100000000000000000000000000000000000000000000000008000800000000000000040000000000000000400000000000000000000000000000000000000000000000000000000000001000000000000000000000000000,0000001c00a000,001800000800000000000000000000000000000000000000000000000000000000000000402004,000000000000300000008302801000000406001508,0,0,13,0,0,2,14,13,-9.189,0.141,1,,,-,1.5431,-,1.5431,https://www.genome.jp/dbget-bin/www_bget?dr:D00167
5338,D05215, Obidoxime chloride (USAN), Antidotes,V03AB13,VARIOUS,c1c(ccn(c1)COCn1ccc(cc1)/C=N/O)/C=N/O,288.302,2.0998,77.934,84.27,21,2,5,YMYKTPKBLKRAHQ-KAVGSWPWSA-N,C14H16N4O3,ON=Cc1ccn(cc1)COCn1ccc(cc1)C=NO,"InChI=1S/C14H16N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10,19-20H,11-12H2/b15-9+,16-10+",-4.3915,-4.3698,-3.1184,-3.1154,-2.1537,-2.1518,1.7747,1.7888,1.8536,1.9548,2.6973,D05215_V03AB13,00020000000008800000040000020000000000100000004002000000000000001000100000000000500000100000000001020000000100000000080000000000180012000000000000000000020000200000015000002100810000004002100002400020400000000080000000000000000c0000000010010000800100000002,0000000030a001,060000000000204000000000000000000000000000000000000000000000000000000400432805,000080080000000050a430242a70f0ab07270f751d,0,0,46,2,0,6,47,48,-15.908,-8.008,0,1.0,4.768020000000001e-09,+,0.9465,-,0.9465,https://www.genome.jp/dbget-bin/www_bget?dr:D05215
5339,D08249, Naloxone (INN), Antidotes,V03AB15,VARIOUS,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC=C)O,328.38199999999995,1.4535,93.0855,71.2,26,3,4,UZHSEJADLWPNLE-GRGSLBFTSA-O,C19H22NO4+,C=CC[NH+]1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/p+1/t14-,17+,18+,19-/m1/s1",-6.0286,-5.8466,-4.628,-4.4973,-2.997,-2.0201,1.5909,1.6197,1.8187,1.8716,2.0515,D08249_V03AB15,402e0002000002040ac80600020300040000001008021a00010000c000080000100450834040000310022018000100000102020008204807008100a20002801818a00c0221000c118000a1221ac0800440d181d000003408c0180801800805004186002000100007020000c2e1101800000721000a0510200802004300100504,1500004c52f001,1a4842020400010000000000000000000000000000010000000000000000000000006600c02a05,0000000002002101820436c79ec1a1c30dcfcf7f1f,0,6,42,2,0,2,46,50,-11.943,-3.952,5,0.0,0.002207826,+,1.7009999999999998,-,1.7009999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D08249
5340,D01340, Naloxone hydrochloride (JP17/USP), Antidotes,V03AB15,VARIOUS,[C@@]123c4c5O[C@H]2C(=O)CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC=C)O,328.38199999999995,1.4535,93.0855,71.2,26,3,4,UZHSEJADLWPNLE-GRGSLBFTSA-O,C19H22NO4+,C=CC[NH+]1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/p+1/t14-,17+,18+,19-/m1/s1",-6.0275,-5.847,-4.6298,-4.4954,-2.998,-2.0192,1.5899,1.6202,1.8174,1.8717,2.0513,D01340_V03AB15,402e0002000002040ac80600020300040000001008021a00010000c000080000100450834040000310022018000100000102020008204807008100a20002801818a00c0221000c118000a1221ac0800440d181d000003408c0180801800805004186002000100007020000c2e1101800000721000a0510200802004300100504,1500004c52f001,1a4842020400010000000000000000000000000000010000000000000000000000006600c02a05,0000000002002101820436c79ec1a1c30dcfcf7f1f,0,6,42,2,0,2,46,50,-11.940999999999999,-3.952,5,,0.002204862,+,1.7009999999999998,-,1.7009999999999998,https://www.genome.jp/dbget-bin/www_bget?dr:D01340
5341,D02312, Methylene blue (USP), Antidotes,V03AB17,VARIOUS,c12=Nc3c([S]=c1cc(cc2)N(C)C)cc(cc3)N(C)C,284.399,2.5621,90.133,50.93,22,0,4,SVWZRGULYRDGJX-UHFFFAOYSA-N,C16H18N3S,CN(c1ccc2c(c1)[S]=c1c(=N2)ccc(c1)N(C)C)C,"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3",-3.0442,-3.0439,-3.0425,-3.0406,-2.053,-2.0526,0.7386,0.7949,0.7968,0.9877,1.3262,D02312_V03AB17,28000101010240031010060800a0080884010008108800400000800800480a00082008000001012100000448001000e00000084008100068800000000008041800000000c8011400000000400000200004800020054020004008000080042080000200004400000101000200400000000002101004420004001080000a000200,00000000003021,000040000100000000000000000000000000000000800000000000000000000000004640402000,00000000080000040023b1101201c00350b119a817,0,12,26,2,0,2,38,40,-8.275,-4.204,0,0.0,0.128268093,+,0.6623,-,0.6623,https://www.genome.jp/dbget-bin/www_bget?dr:D02312
5342,D02312, Methylene blue (USP), Tests for gastric secretion,V04CG05,VARIOUS,c12=Nc3c([S]=c1cc(cc2)N(C)C)cc(cc3)N(C)C,284.399,2.5621,90.133,50.93,22,0,4,SVWZRGULYRDGJX-UHFFFAOYSA-N,C16H18N3S,CN(c1ccc2c(c1)[S]=c1c(=N2)ccc(c1)N(C)C)C,"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3",-3.0469,-3.0444,-3.0437,-3.0428,-2.0535,-2.0534,0.7402,0.7939,0.7944,0.9867,1.3273,D02312_V04CG05,28000101010240031010060800a0080884010008108800400000800800480a00082008000001012100000448001000e00000084008100068800000000008041800000000c8011400000000400000200004800020054020004008000080042080000200004400000101000200400000000002101004420004001080000a000200,00000000003021,000040000100000000000000000000000000000000800000000000000000000000004640402000,00000000080000040023b1101201c00350b119a817,0,12,26,2,0,2,38,40,-8.275,-4.204,0,0.0,0.128268093,+,0.6623,-,0.6623,https://www.genome.jp/dbget-bin/www_bget?dr:D02312
5343,D00517, Amyl nitrite (JP17/USP), Antidotes,V03AB22,VARIOUS,C(CON=O)C(C)C,117.146,1.7305,31.971999999999998,38.66,14,0,1,OWFXIOWLTKNBAP-UHFFFAOYSA-N,C5H11NO2,CC(CCON=O)C,"InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3",-0.2648,-0.1919,-0.0426,0.0,0.0,0.0,0.0,0.0,0.0,0.0236,0.0454,D00517_V03AB22,0000000000000000000000000040000400000000000000000000000000000000100000001000000100000000000000000100000000004000000000000000000018000800000000000000000000080180000080400000000000000000008000100000000000000000000000002000000000000000000000000000000000000000,00000000002008,070000000000000000000000000000000000000000000001000000000000000000000000402000,00008000000000406002002020506c280a0014d509,0,0,17,1,0,4,19,18,-11.499,-0.528,0,-2.0,,-,0.6762,-,0.6762,https://www.genome.jp/dbget-bin/www_bget?dr:D00517
5344,D00697, Flumazenil (JAN/USP/INN), Antidotes,V03AB25,VARIOUS,C1(=O)c2c(n3c(CN1C)c(nc3)C(=O)OCC)ccc(c2)F,303.288,1.7116,79.46600000000001,64.43,19,0,6,OFBIFZUFASYYRE-UHFFFAOYSA-N,C15H14FN3O3,CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",-5.4043,-3.7333,-3.6551,-3.6283,-3.1648,-2.6155,1.3727,1.3727,1.5127,1.54,1.7118,D00697_V03AB25,000210c0040004c0018c4610050300040100008000c40800418410c1000404000c014081446800a1808e0318210002c001086240000141800200088308a202080c010c00e00406000012310002980000308800500c80294140280440000340100530020a80d010009080110060000000100f0112000914020018800102000010,0400000030b005,010000000000000000009000200000004003000000089800000000000000000000004640403000,000004000002000001d474d819759667e0e33aff1f,1,11,25,2,0,3,36,38,-9.957,-1.043,0,2.0,0.135246962,-,1.1475,-,1.1475,https://www.genome.jp/dbget-bin/www_bget?dr:D00697
5345,D00019, Methionine (USP), Antidotes,V03AB26,VARIOUS,[C@@H](C(=O)O)(CCSC)[NH3+],150.219,-0.5654,39.4769,90.24,14,2,3,FFEARJCKVFRZRR-BYPYZUCNSA-O,C5H12NO2S+,CSCCC([NH3+])C(=O)O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m0/s1",-5.399,-5.3646,-5.3199,-4.6113,-4.6017,-4.394,1.9364,2.1535,2.342,2.3685,2.615,D00019_V03AB26,00000101000000000000040000000000000000000000000000000000000000001000000000030003000a0010000000000100000000004000000000000000000408000800000000000000040000800104003008400000000000400000000000840000000000000000002000020000000040041000000000000000000000000000,0500000c00e102,0200c1001400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021000000a05680402c04040444ff09,0,0,19,1,0,4,21,20,-8.959,-0.264,1,1.0,,-,0.6371,-,0.6371,https://www.genome.jp/dbget-bin/www_bget?dr:D00019
5346,D04983, Racemethionine (USAN), Antidotes,V03AB26,VARIOUS,[C@@H](C(=O)O)(CCSC)[NH3+],150.219,-0.5654,39.4769,90.24,14,2,3,FFEARJCKVFRZRR-BYPYZUCNSA-O,C5H12NO2S+,CSCCC([NH3+])C(=O)O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1/t4-/m0/s1",-5.3848,-5.3664,-5.3527,-4.5823,-4.5617,-4.4314,1.7849,2.1746,2.3419,2.3647,2.5818,D04983_V03AB26,00000101000000000000040000000000000000000000000000000000000000001000000000030003000a0010000000000100000000004000000000000000000408000800000000000000040000800104003008400000000000400000000000840000000000000000002000020000000040041000000000000000000000000000,0500000c00e102,0200c1001400000000008800000000100000000000000000000000000000000000000000c02a04,00000000000021000000a05680402c04040444ff09,0,0,19,1,0,4,21,20,-8.958,-0.265,1,0.0,,-,0.6371,-,0.6371,https://www.genome.jp/dbget-bin/www_bget?dr:D04983
5347,D07852, 4-Dimethylaminophenol hydrochloride, Antidotes,V03AB27,VARIOUS,c1c(ccc(c1)N(C)C)O,137.179,1.4582,42.672,23.47,13,1,2,JVVRCYWZTJLJSG-UHFFFAOYSA-N,C8H11NO,CN(c1ccc(cc1)O)C,"InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",-3.049,-3.0469999999999997,-0.9048,-0.8619,-0.665,-0.6648,0.4833,0.4884,0.7363,0.7371,0.7929999999999999,D07852_V03AB27,0000000000000000000006000080000080000000000004000000000000000000000000000000002000000008000000400000020000000008000000000000040008000000400000000000000022000000008000000400200040080000000000000000000000000002000000000000000000020000000000200800000002000000,0000000402b021,000040000100000000000000000000000000000000010000000000000000000000000200402000,00000000000000000002301000000142504498b81f,0,6,15,0,0,1,21,21,-8.0,0.7040000000000001,0,-1.0,0.005269745,-,0.1647,-,0.1647,https://www.genome.jp/dbget-bin/www_bget?dr:D07852
5348,D00014, Glutathione (JP17), Antidotes,V03AB32,VARIOUS,OC(=O)[C@H](CCC(=O)N[C@H](C(=O)NCC(=O)O)CS)[NH3+],308.33099999999996,-2.1411,71.6251,199.24,25,6,9,RWSXRVCMGQZWBV-WDSKDSINSA-O,C10H18N3O6S+,SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+],"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1",-5.3981,-5.3856,-5.2742,-4.6363,-4.5547,-4.548,2.6243,2.6511,2.7649,2.9503,2.9659,D00014_V03AB32,00020103004000202100040000000008000000100000000000000000000000001800100601020003000e0030000000400103400000004000000000000000001008000800000018800120040132800006003003400000200080000202000020000800002000000000000000008000080000041004000010000060000100000300,0500000c00e002,0200c0000c000000000088000a0000900000000000000000000000000000000000000000c02a04,00000000000031000040824e886030848c2e467f09,0,0,33,4,0,11,38,37,-5.002,0.981,2,0.0,,-,2.0033,-,2.0033,https://www.genome.jp/dbget-bin/www_bget?dr:D00014
5349,D08025, Glutathione sodium salt, Antidotes,V03AB32,VARIOUS,OC(=O)[C@H](CCC(=O)N[C@H](C(=O)NCC(=O)O)CS)[NH3+],308.33099999999996,-2.1411,71.6251,199.24,25,6,9,RWSXRVCMGQZWBV-WDSKDSINSA-O,C10H18N3O6S+,SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+],"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1",-5.3851,-5.374,-5.3592,-4.5854,-4.5652,-4.5081,2.3994,2.52,2.6042,2.6158,3.0427,D08025_V03AB32,00020103004000202100040000000008000000100000000000000000000000001800100601020003000e0030000000400103400000004000000000000000001008000800000018800120040132800006003003400000200080000202000020000800002000000000000000008000080000041004000010000060000100000300,0500000c00e002,0200c0000c000000000088000a0000900000000000000000000000000000000000000000c02a04,00000000000031000040824e886030848c2e467f09,0,0,33,4,0,11,38,37,-5.012,1.036,2,1.0,,-,2.0033,-,2.0033,https://www.genome.jp/dbget-bin/www_bget?dr:D08025
5350,D00707, Fomepizole (JAN/USAN/INN), Antidotes,V03AB34,VARIOUS,c1(cn[nH]c1)C,82.1038,0.7181,23.5537,28.68,7,1,1,RIKMMFOAQPJVMX-UHFFFAOYSA-N,C4H6N2,Cc1c[nH]nc1,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",-2.2721,-1.3535,-1.0581,-0.9540000000000001,-0.7321,-0.603,0.2846,0.303,0.5703,0.8053,1.1479,D00707_V03AB34,200000000000000000000200000000000000000000000000000000000000000000000000000880000000000000000000000022000000400000000002000000000c000400000000000000000000000000000000400000000000000000000000000000000000000000000000000000000010020000800000200800004000000000,00000000001001,010000000000000000000000000000000000000000009400000000000000000000000600401000,0000000000000800118004a0000080090021408013,0,5,7,0,0,0,12,12,-9.647,1.075,0,0.0,0.002635545,+,0.3516,-,0.3516,https://www.genome.jp/dbget-bin/www_bget?dr:D00707
5351,D05940, Sugammadex sodium (JAN/USAN), Antidotes,V03AB35,VARIOUS,[C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CSCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CSCCC(=O)O)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CSCCC(=O)O)O2)O)O)O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O[C@@H]1CSCCC(=O)O)O)O)O)O,2002.15,-7.6816,440.043,972.16,160,24,56,WHRODDIHRRDWEW-VTHZAVIASA-N,C72H112O48S8,OC(=O)CCSCC1OC2OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(CSCCC(=O)O)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC6C(OC(OC1C(C2O)O)C(O)C6O)CSCCC(=O)O)C(O)C5O)CSCCC(=O)O)C(O)C4O)CSCCC(=O)O)C(C3O)O)CSCCC(=O)O,"InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1",-4.9829,-4.6751,-4.6737,-4.6171,-4.611000000000001,-4.5915,2.5823,2.6158,2.6286,2.6433,2.7025,D05940_V03AB35,800201050000a00020000000001200042020002400000000100000000086000010002008000f0005000a0000200010400100400000a04011000000000000c00408902e0010000000000084820080010000900a4000b00000604000010020a0044000000800280000202000004000288000019100250002000000000140000000,0400002c30a103,022801001001804000008800000000000000000000000000000000000000000000008401402804,00000000000020018000a0078201a0448d4fa7571c,0,0,240,8,0,40,240,248,2.126,8.77,40,1.0,5.33188e-19,-,140.86,-,140.86,https://www.genome.jp/dbget-bin/www_bget?dr:D05940
5352,D03670, Deferoxamine (USAN), Iron chelating agents,V03AC01,VARIOUS,C(=O)(C)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[NH3+])O)O)O,561.692,0.9871,143.734,207.46,62,6,13,UBQYURCVBFRUQT-UHFFFAOYSA-O,C25H49N6O8+,[NH3+]CCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)/p+1",-5.4098,-5.377000000000001,-5.3641,-4.3237,-4.321000000000001,-4.2478,1.7336,1.7465,1.7598,1.7608,2.6032,D03670_V03AC01,002280020000000005000400020000000000001000000000000000000000000018001000000000002006041000000000010204000000000000000000000000001000000000000000000000000680000400100340000020008000000000002000000000200000000c000000000000000000040000000010401010000100000200,0500000000e000,0300c00004000000000080000a2000000000000000000000000000000000000000000000c02a01,0010800000000100d000022ea868388a8f2e4eef09,0,0,82,5,0,28,88,87,-10.945,-4.244,0,,,-,6.7866,-,6.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D03670
5353,D01186, Deferoxamine mesylate (USP), Iron chelating agents,V03AC01,VARIOUS,C(=O)(C)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[NH3+])O)O)O,561.692,0.9871,143.734,207.46,62,6,13,UBQYURCVBFRUQT-UHFFFAOYSA-O,C25H49N6O8+,[NH3+]CCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)/p+1",-5.3919,-5.3827,-5.3722,-4.27,-4.2329,-3.9604,1.8703,1.8997,2.2706,2.4,2.6178,D01186_V03AC01,002280020000000005000400020000000000001000000000000000000000000018001000000000002006041000000000010204000000000000000000000000001000000000000000000000000680000400100340000020008000000000002000000000200000000c000000000000000000040000000010401010000100000200,0500000000e000,0300c00004000000000080000a2000000000000000000000000000000000000000000000c02a01,0010800000000100d000022ea868388a8f2e4eef09,0,0,82,5,0,28,88,87,-10.892999999999999,-4.3469999999999995,0,4.0,,-,6.7866,-,6.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D01186
5354,D07780, Deferoxamine hydrochloride (USAN), Iron chelating agents,V03AC01,VARIOUS,C(=O)(C)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[NH3+])O)O)O,561.692,0.9871,143.734,207.46,62,6,13,UBQYURCVBFRUQT-UHFFFAOYSA-O,C25H49N6O8+,[NH3+]CCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)/p+1",-5.4032,-5.3778,-5.3487,-4.3917,-4.3617,-4.1465,1.7479,1.7717,1.7746,1.8886,2.6518,D07780_V03AC01,002280020000000005000400020000000000001000000000000000000000000018001000000000002006041000000000010204000000000000000000000000001000000000000000000000000680000400100340000020008000000000002000000000200000000c000000000000000000040000000010401010000100000200,0500000000e000,0300c00004000000000080000a2000000000000000000000000000000000000000000000c02a01,0010800000000100d000022ea868388a8f2e4eef09,0,0,82,5,0,28,88,87,-10.862,-4.225,0,0.0,,-,6.7866,-,6.7866,https://www.genome.jp/dbget-bin/www_bget?dr:D07780
5355,D07416, Deferiprone (USAN/INN), Iron chelating agents,V03AC02,VARIOUS,c1cc(=O)c(c(n1C)C)O,139.15200000000002,0.3993,38.953,42.23,11,1,3,TZXKOCQBRNJULO-UHFFFAOYSA-N,C7H9NO2,Cn1ccc(=O)c(c1C)O,"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3",-3.6189,-2.0574,-1.7085,-1.6728,-1.5718,-0.8582,0.5305,0.6706,1.1536,1.1644,1.5,D07416_V03AC02,000000400000000000000600040000000000040060000000000000c00024000000005000000080201080001800000040000006000000200000400002000000000c2004020000020000004000048800000000014004000000c0000080000000020000200000000004040000002800040000060010004100600800000002000000,0000000402b001,010000000000000000000000000000004003000000018900000000000000000000000640401000,0000000000000000810410500300014300c5b8fa1f,0,6,12,1,0,0,19,19,-8.44,0.18600000000000003,0,1.0,0.004473512,-,0.4323,-,0.4323,https://www.genome.jp/dbget-bin/www_bget?dr:D07416
5356,D03669, Deferasirox (JAN/USAN/INN), Iron chelating agents,V03AC03,VARIOUS,n1c(nn(c1c1ccccc1O)c1ccc(cc1)C(=O)O)c1ccccc1O,373.36199999999997,3.7107,103.236,108.47,20,3,7,BOFQWVMAQOTZIW-UHFFFAOYSA-N,C21H15N3O4,OC(=O)c1ccc(cc1)n1nc(nc1c1ccccc1O)c1ccccc1O,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",-4.471,-4.4014,-4.2512,-3.5243,-2.7252,-2.1956,1.3227,1.8696,1.974,2.3188,2.3604,D03669_V03AC03,82010000800a06c0001066000d0100002010000000800034400000c00000008004c040000000802124aa020800001040000022000000400800200006008000084c200c00400006000102080002880082088800400c000180410800000401400040100a000082800204c000004000000100060d80000108e00808000006c00000,0400000c02b003,000000000000000000008800000000000001000000019800000000000000000000000640403800,000000002000082001d404a00100814f54edab7a1f,0,23,22,1,0,4,43,46,-4.916,1.8840000000000001,0,1.0,0.000266281,+,1.2071,-,1.2071,https://www.genome.jp/dbget-bin/www_bget?dr:D03669
5357,D08512, Sevelamer (INN), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE02,VARIOUS,[C@H]1(CCl)OC1,92.5242,0.624,20.302,12.53,6,0,1,BRLQWZUYTZBJKN-GSVOUGTGSA-N,C3H5ClO,ClCC1CO1,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1",-0.9049,-0.6678,-0.1973,-0.1972,-0.1971,-0.1751,0.1397,0.1544,0.1569,0.1958,0.2562,D08512_V03AE02,0000020200000000000000000002000000000000000000000000000800000000100000000000000100010000000000000000000000000000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000008000000200000000000000000000000000000a00,00000000302001,808000000000000000000000000000000000000000000000000000000000000000000c00402004,008020000000000100000000401000002903801518,0,0,10,0,0,1,10,10,-11.394,0.9329999999999999,1,0.0,0.001639126,+,0.6359,+,0.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D08512
5358,D01983, Sevelamer hydrochloride (JAN/USAN), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE02,VARIOUS,[C@@H]1(CO1)CCl,92.5242,0.624,20.302,12.53,6,0,1,BRLQWZUYTZBJKN-VKHMYHEASA-N,C3H5ClO,ClCC1CO1,"InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1",-0.9053,-0.6649,-0.1975,-0.1974,-0.1963,-0.175,0.1398,0.1544,0.1572,0.1967,0.2554,D01983_V03AE02,0000020200000000000000000002000000000000000000000000000800000000100000000000000100010000000000000000000000000000000000000000000008000800000000000000000000000000008000400000000000000000000000000000000000000000000000008000000200000000000000000000000000000a00,00000000302001,808000000000000000000000000000000000000000000000000000000000000000000c00402004,008020000000000100000000401000002903801518,0,0,10,0,0,1,10,10,-11.462,0.907,1,1.0,0.00190082,+,0.6359,+,0.6359,https://www.genome.jp/dbget-bin/www_bget?dr:D01983
5359,D04667, Lanthanum carbonate (USAN), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE03,VARIOUS,OC(=O)O,62.0248,0.2224,10.6536,57.53,3,2,3,BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,OC(=O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",-6.1224,-6.1001,-5.8927,-2.3339,-1.8459,-1.5801,1.2143,2.3334,2.3729,2.8225,3.4204,D04667_V03AE03,0000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000008002000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000c00a000,000000000000000000000000000000000040000000000000000000000000000000000000400800,004000000004000000000000000200040404025208,0,0,4,1,0,0,6,5,2.363,16.422,0,0.0,0.0,-,1.0637,-,1.0637,https://www.genome.jp/dbget-bin/www_bget?dr:D04667
5360,D01934, Colestilan chloride (USAN), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE06,VARIOUS,c1nc([nH]c1)C,82.1038,0.7181,23.5537,28.68,7,1,1,LXBGSDVWAMZHDD-UHFFFAOYSA-N,C4H6N2,Cc1ncc[nH]1,"InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)",-0.6913,-0.6031,-0.5851,-0.57,-0.5507,-0.4586,0.1277,0.1391,0.1541,0.2287,0.2511,D01934_V03AE06,0000000000000040000842000400000000000000000000000000000000000000000000000000002100000000000000000000000000000000000000000000000004000c00000002000000000000000000000000400080000000000000000100000000000000000000000000004000000000000010000000000000000002000000,00000000001001,010000000000000000000000000000000000000000009400000000000000000000000600400800,000000002000000001500480000080010021408813,0,5,7,0,0,0,12,12,-9.218,1.225,0,0.0,0.002735209,+,0.4754,-,0.4754,https://www.genome.jp/dbget-bin/www_bget?dr:D01934
5361,D00931, Calcium acetate (USP), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE07,VARIOUS,C(=O)(C)O,60.052,0.0909,13.4998,37.3,5,1,2,QTBSBXVTEAMEQO-UHFFFAOYSA-N,C2H4O2,CC(=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",-4.5659,-4.4315,-1.334,-0.2403,-0.20800000000000002,0.0,0.0,0.0,0.1848,0.3863,2.3621,D00931_V03AE07,00000000000000000000000000000000000000000000000000000000000000000000000000000000000a0000000000000000000000000000000000000000000008000800000000000000000000800000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0400000c00a002,010000000000000000008800000000000000000000000000000000000000000000000000400800,00000000000000000000000000000004000400d208,0,0,6,1,0,0,8,7,-3.975,8.248,0,0.0,2.30959e-12,-,0.9393,-,0.9393,https://www.genome.jp/dbget-bin/www_bget?dr:D00931
5362,D09993, Ferric citrate hydrate (JAN), Drugs for treatment of hyperkalemia and hyperphosphatemia,V03AE08,VARIOUS,C(=O)(O)C(CC(=O)O)(CC(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5913,-4.5773,-4.5708,-4.473,-4.4237,-4.4093,2.3683,2.3752,2.3769,2.3909,2.3962,D09993_V03AE08,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.800999999999998,0,2.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D09993
5363,D03730, Dexrazoxane (JAN/USAN/INN), Detoxifying agents for antineoplastic treatment,V03AF02,VARIOUS,N1C(=O)C[NH+](CC1=O)C[C@@H]([NH+]1CC(=O)NC(=O)C1)C,270.285,-1.7465,80.5438,101.22,24,4,6,BMKDZUISNHGIBY-ZETCQYMHSA-P,C11H18N4O4++,O=C1NC(=O)C[NH+](C1)CC([NH+]1CC(=O)NC(=O)C1)C,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/p+2/t7-/m0/s1",-6.0096,-6.0092,-5.0796,-5.0677,-5.0141,-5.0086,2.3917,3.0239999999999996,3.0251,3.0257,3.0305,D03730_V03AF02,0002000000400000010004000000000800000000000000000000000000000000180000022300000000060030000002000002000000000000000000000000000000000000000000800120000002800002002000400020200000000000000000000800000000000000000000000000000000040004000010000020000000000000,0500000000e001,010040020400000000008000000100000000000000000000000000000000000000000400c02a04,00000000000021000044324d8a689cc38d6b4bef1d,0,0,34,4,0,3,37,38,-17.775,-8.922,1,1.0,9.50035e-13,+,1.2571,-,1.2571,https://www.genome.jp/dbget-bin/www_bget?dr:D03730
5364,D07807, Dexrazoxane hydrochloride, Detoxifying agents for antineoplastic treatment,V03AF02,VARIOUS,N1C(=O)C[NH+](CC1=O)C[C@@H]([NH+]1CC(=O)NC(=O)C1)C,270.285,-1.7465,80.5438,101.22,24,4,6,BMKDZUISNHGIBY-ZETCQYMHSA-P,C11H18N4O4++,O=C1NC(=O)C[NH+](C1)CC([NH+]1CC(=O)NC(=O)C1)C,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/p+2/t7-/m0/s1",-6.0065,-5.9934,-5.0716,-5.0639,-5.0613,-5.0279,2.4062,3.0221,3.0246,3.0248,3.0304,D07807_V03AF02,0002000000400000010004000000000800000000000000000000000000000000180000022300000000060030000002000002000000000000000000000000000000000000000000800120000002800002002000400020200000000000000000000800000000000000000000000000000000040004000010000020000000000000,0500000000e001,010040020400000000008000000100000000000000000000000000000000000000000400c02a04,00000000000021000044324d8a689cc38d6b4bef1d,0,0,34,4,0,3,37,38,-17.775,-8.922,1,2.0,9.49776e-13,+,1.2571,-,1.2571,https://www.genome.jp/dbget-bin/www_bget?dr:D07807
5365,D01211, Leucovorin calcium (USP), Detoxifying agents for antineoplastic treatment,V03AF03,VARIOUS,[C@H](CCC(=O)O)(C(=O)O)NC(=O)c1ccc(NC[C@H]2N(c3c(NC2)[nH]c([nH]c3=O)N)C=O)cc1,474.44699999999995,1.3671,127.484,222.74,34,8,12,WFGJSRIHUCOHKI-OLZOCXBDSA-N,C20H24N7O7,O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)[nH]c([nH]2)N,"InChI=1S/C20H24N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22,26H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,32)/t12-,13+/m1/s1",-8.8889,-7.8816,-7.7108,-6.6806,-5.7932,-5.7077,3.4069,3.7588,4.2757,4.3677,4.3841,D01211_V03AF03,002a8000014014a011000600008100088000009000000000000000c0003001001e00400223000023008e07380001106001020000100040080000000210000410080008004004020001a0000222b8000f00b0004006002002e00b02000000000008300022040000000000000080001820000e018420011000007c00030ac00300,0400000c00b023,0200408000000042000088003a0000000001000000000000000000000000000000004640402804,000000012004300000d41a4e9b63b047dc6f6f7f1f,0,6,52,5,0,11,61,63,-3.4819999999999998,-2.529,2,0.0,4.1628100000000005e-07,-,3.6043,-,3.6043,https://www.genome.jp/dbget-bin/www_bget?dr:D01211
5366,D04715, Levoleucovorin calcium (USAN), Detoxifying agents for antineoplastic treatment,V03AF04,VARIOUS,[C@H](CCC(=O)O)(C(=O)O)NC(=O)c1ccc(NC[C@@H]2N(c3c(=O)[nH]c([nH]c3NC2)N)C=O)cc1,474.44699999999995,1.3671,127.484,222.74,34,8,12,WFGJSRIHUCOHKI-STQMWFEESA-N,C20H24N7O7,O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)[nH]c([nH]2)N,"InChI=1S/C20H24N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22,26H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,32)/t12-,13-/m0/s1",-8.9065,-7.8623,-7.6839,-6.773,-5.6993,-5.6979,3.4623,3.6937,4.3064,4.3547,4.3948,D04715_V03AF04,002a8000014014a011000600008100088000009000000000000000c0003001001e00400223000023008e07380001106001020000100040080000000210000410080008004004020001a0000222b8000f00b0004006002002e00b02000000000008300022040000000000000080001820000e018420011000007c00030ac00300,0400000c00b023,0200408000000042000088003a0000000001000000000000000000000000000000004640402804,000000012004300000d41a4e9b63b047dc6f6f7f1f,0,6,52,5,0,11,61,63,-3.4560000000000004,-2.569,2,0.0,5.55673e-07,-,3.6043,-,3.6043,https://www.genome.jp/dbget-bin/www_bget?dr:D04715
5367,D00226, Amifostine (USP), Detoxifying agents for antineoplastic treatment,V03AF05,VARIOUS,S(CC[NH2+]CCC[NH3+])P(=O)(O)O,216.239,-1.9923,52.7516,136.89,19,4,4,JKOQGQFVAUAYPM-UHFFFAOYSA-P,C5H17N2O3PS++,[NH3+]CCC[NH2+]CCSP(=O)(O)O,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)/p+2",-10.3745,-10.3495,-10.1105,-5.6895,-5.6718,-5.36,3.0466,3.0509,3.1078,3.4357,4.8932,D00226_V03AF05,0082010200000000100004000020000000000100008000000400040000044000100000040000000000800016200000000006000200000000010000002000000020000000000000000004060002000000100000400000200000010202000000000000000000000000000000000000000000041020000010000004000000000000,0100000000e000,0200c0010400000000000000000000000000000000000000000000800000200000000000c02a00,00000010008411001480ab06a8c2208807264e6509,0,0,27,1,0,7,29,28,-5.367000000000001,-3.7680000000000002,0,1.0,,-,0.6322,-,0.6322,https://www.genome.jp/dbget-bin/www_bget?dr:D00226
5368,D00003, Oxygen (JP17/USP), Medical gases,V03AN01,VARIOUS,O=O,31.9988,0.067,6.734,34.14,2,0,2,MYMOFIZGZYHOMD-UHFFFAOYSA-N,O2,O=O,InChI=1S/O2/c1-2,-10.3745,-10.3495,-10.1105,-5.6895,-5.6718,-5.36,0.0,0.0,0.0,0.0,0.0,D00003_V03AN01,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,000000000000000000000000000000000000000000000000000000000000000000000000000000,000000000000000000000000200000080000004008,0,0,0,1,0,0,2,1,-10.491,-0.525,0,,,+,1.2785,-,1.2785,https://www.genome.jp/dbget-bin/www_bget?dr:D00003
5369,D00004, Carbon dioxide (JP17/USP), Medical gases,V03AN02,VARIOUS,C(=O)=O,44.0095,-0.5835,5.007,34.14,2,0,2,CURLTUGMZLYLDI-UHFFFAOYSA-N,CO2,O=C=O,InChI=1S/CO2/c2-1-3,-5.3058,-5.3058,3.6783,-5.6895,-5.6718,-5.36,0.0,0.0,0.0,-5.3058,-5.3058,D00004_V03AN02,0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,000000000000000000000000000000000000000000000000000000000000000000000000400000,000000000000000000000000000000048000004208,0,0,0,2,0,0,3,2,-13.027000000000001,0.3,0,,0.00024234200000000002,+,0.9164,-,0.9164,https://www.genome.jp/dbget-bin/www_bget?dr:D00004
5370,D00083, Nitrogen (JP17/NF), Medical gases,V03AN04,VARIOUS,N#N,28.0134,0.030160000000000003,3.45,47.58,2,0,2,IJGRMHOSHXDMSA-UHFFFAOYSA-N,N2,N#N,InChI=1S/N2/c1-2,-5.3058,-5.3058,3.6783,-5.6895,-5.6718,-5.36,0.0,0.0,0.0,0.0,0.0,D00083_V03AN04,0000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,00000000002000,000000000000000000000000000000000000000000000000000000000000000000000000000000,000000000000080000000020000000080020000001,0,0,0,0,1,0,2,1,-14.323,1.003,0,,,+,1.2713,-,1.2713,https://www.genome.jp/dbget-bin/www_bget?dr:D00083
5371,D06405, Nalfurafine hydrochloride (JAN), Other therapeutic products,V03AX02,VARIOUS,[C@@]123c4c5O[C@H]2[C@@H](CC[C@]1([C@@H](Cc4ccc5O)[N@H+](CC3)CC1CC1)O)N(C(=O)/C=C/c1cocc1)C,477.57199999999995,3.2418,135.44799999999998,87.58,38,3,6,XGZZHZMWIXFATA-UEZBDDGYSA-O,C28H33N2O5+,CN(C1CCC2(C34C1Oc1c4c(CC2[NH+](CC3)CC2CC2)ccc1O)O)C(=O)C=Cc1ccoc1,"InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/p+1/b7-4+/t20-,22-,26+,27+,28-/m1/s1",-6.0345,-5.4449,-4.6341,-4.4917,-4.2291,-4.0701,1.7177,1.7193,1.9033,2.0219,2.3469,D06405_V03AX02,c02e0002000002040bc8060002030004010081181022da00014000c000000100380458834040001330062418000100000102820000a0490700810a220006803818a00c0223100c118100a32312c48040408181d00000300cd0184801804882014186202000101082020000c2e1101800020721000a05192008d2204300300004,0500004c52f001,1e484202040000000000800012000000000100000001a000000000000000000000006640c36a04,0000200000002101820436df9ee9b9c31defcfff1f,0,11,61,2,0,6,68,74,-10.745999999999999,-3.694,6,0.0,0.149526626,+,3.2314,-,3.2314,https://www.genome.jp/dbget-bin/www_bget?dr:D06405
5372,D09881, Cobicistat (JAN/USAN/INN), Other therapeutic products,V03AX03,VARIOUS,[C@H](Cc1ccccc1)(CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)NC(=O)[C@@H](NC(=O)N(Cc1nc(sc1)C(C)C)C)CC[NH+]1CCOCC1,777.0310000000001,7.3255,217.828,195.7,65,4,13,ZCIGNRJZKPOIKD-CQXVEOKZSA-O,C40H54N7O5S2+,O=C(NC(Cc1ccccc1)CCC(Cc1ccccc1)NC(=O)C(NC(=O)N(Cc1csc(n1)C(C)C)C)CC[NH+]1CCOCC1)OCc1cncs1,"InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/p+1/t32-,33-,36+/m1/s1",-6.0327,-5.8251,-5.3374,-5.2834,-4.6966,-4.6124,2.3811,2.5539,2.6113,2.6418,2.6668,D09881_V03AX03,012689a0004012a0131006040612080c05102290010020000288008c001405021c00519309001032d01e2d780029008041ca008150280100a004080210c002102c011e0008300a000120210052b0000400b003f0008a3108e0094a00800b60100ff001208420000002801000c2000000100e01b40a091010003440010a000301,0500000030f041,0780400204000000000080000a000000004004010000d000000000000000000000000600c03a04,000040001840310101d6b7de8b72b4a78d3b5fff1f,0,22,87,3,0,24,108,112,-11.065999999999999,-3.7439999999999998,3,0.0,0.48559114299999995,+,6.6087,-,6.6087,https://www.genome.jp/dbget-bin/www_bget?dr:D09881
5373,D05845, Sincalide (USP/INN), Tests for bile duct patency,V04CC03,VARIOUS,C([C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)[C@@H]([NH3+])CC(=O)O)CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)c1c2c([nH]c1)cccc2,1144.28,2.4712,285.666,487.4,86,13,26,IZTQOLKUZKXIRV-YRVFCXMDSA-O,C49H63N10O16S3+,CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)[NH3+])Cc1ccc(cc1)OS(=O)(=O)O,"InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/p+1/t32-,34-,35-,36-,37-,38-,39-/m0/s1",-10.8027,-10.7654,-10.2846,-5.4525,-5.4159,-5.1782,3.0457,3.1377,3.1623,3.3272,3.5235,D05845_V04CC03,202e8101004204202b0406000200000c000000100002120800000080013814001900409383038021088e303800010040010202001804e00001000002001800060c000c0040000084032844000288011e00b0044004203008c0488900800840840d2800200020008200000002201214205006d14500031020083a020002000600,0500000c00f103,0200c10014000000000088000e0000400100000000008400000801000000000000004600c02a04,00000000c080711a1541aedeb9e33ded8e6fdfff1f,0,22,110,12,0,40,141,144,-4.085,2.1180000000000003,7,0.0,,+,19.2778,-,19.2778,https://www.genome.jp/dbget-bin/www_bget?dr:D05845
5374,D05845, Sincalide (USP/INN), Tests for pancreatic function,V04CK02,VARIOUS,C([C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)[C@@H]([NH3+])CC(=O)O)CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)c1c2c([nH]c1)cccc2,1144.28,2.4712,285.666,487.4,86,13,26,IZTQOLKUZKXIRV-YRVFCXMDSA-O,C49H63N10O16S3+,CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)[NH3+])Cc1ccc(cc1)OS(=O)(=O)O,"InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/p+1/t32-,34-,35-,36-,37-,38-,39-/m0/s1",-10.8028,-10.7613,-10.2041,-5.5039,-5.4106,-5.3727,3.0362,3.0384,3.3585,3.5263,3.6393,D05845_V04CK02,202e8101004204202b0406000200000c000000100002120800000080013814001900409383038021088e303800010040010202001804e00001000002001800060c000c0040000084032844000288011e00b0044004203008c0488900800840840d2800200020008200000002201214205006d14500031020083a020002000600,0500000c00f103,0200c10014000000000088000e0000400100000000008400000801000000000000004600c02a04,00000000c080711a1541aedeb9e33ded8e6fdfff1f,0,22,110,12,0,40,141,144,-4.085,2.1180000000000003,7,0.0,,+,19.2778,-,19.2778,https://www.genome.jp/dbget-bin/www_bget?dr:D05845
5375,D03442, Ceruletide (USAN/INN), Tests for bile duct patency,V04CC04,VARIOUS,[C@@H]1(NC(=O)CC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c2c([nH]c1)cccc2)[C@H](O)C)Cc1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCC(=O)N,1352.4,1.8130000000000002,332.24800000000005,585.08,104,17,34,YRALAIOMGQZKOW-HYAOXDFASA-N,C58H73N13O21S2,CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",-10.8036,-10.7539,-10.1741,-4.8295,-4.8103,-4.567,2.8137,2.8416,2.8541,2.9082,3.5146,D03442_V04CC04,202e8101004204202b0406000200000c000000100002120800000080013814001900509383038023288e343800010040010202001804e00001000002001800160c000c0040001884032844001288011e00b0074004203008c0488b00800860840d2800200020008210000002a01214205006d14500031020087a020102000700,0400002c00b103,0328010010000000000088002e0000400000000000008400000801000000000000004600402804,00000000c080701a1541aedfb9e3bded8e6fdfff1f,0,22,133,16,0,47,167,171,-3.003,3.188,10,,,+,32.4644,-,32.4644,https://www.genome.jp/dbget-bin/www_bget?dr:D03442
5376,D03443, Ceruletide diethylamine (USAN), Tests for bile duct patency,V04CC04,VARIOUS,[C@@H]1(NC(=O)CC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c2c([nH]c1)cccc2)[C@H](O)C)Cc1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCC(=O)N,1352.4,1.8130000000000002,332.24800000000005,585.08,104,17,34,YRALAIOMGQZKOW-HYAOXDFASA-N,C58H73N13O21S2,CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",-11.1434,-10.42,-10.1987,-4.8563,-4.776,-4.7151,2.8557,2.9621,3.0434,3.1129,3.1348,D03443_V04CC04,202e8101004204202b0406000200000c000000100002120800000080013814001900509383038023288e343800010040010202001804e00001000002001800160c000c0040001884032844001288011e00b0074004203008c0488b00800860840d2800200020008210000002a01214205006d14500031020087a020102000700,0400002c00b103,0328010010000000000088002e0000400000000000008400000801000000000000004600402804,00000000c080701a1541aedfb9e3bded8e6fdfff1f,0,22,133,16,0,47,167,171,-3.005,3.185,10,0.0,,+,32.4644,-,32.4644,https://www.genome.jp/dbget-bin/www_bget?dr:D03443
5377,D00410, Metyrapone (JP17/USP/INN), Tests for pituitary function,V04CD01,VARIOUS,c1ncc(cc1)C(=O)C(c1cccnc1)(C)C,226.274,2.6371,66.2105,42.85,17,0,3,FJLBFSROUSIWMA-UHFFFAOYSA-N,C14H14N2O,O=C(C(c1cccnc1)(C)C)c1cccnc1,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",-2.7987,-1.0604,-1.0589,-1.0521,-1.0517,-1.0031,0.5562,0.5582,0.77,0.7977,1.1,D00410_V04CD01,00050000002000800200020000004000000000000000000800000000000004001c0040080000802000821408000100c00100000000042000040000020000000004000400000000400008000000880003001000400400100040000800000840000000000000200000000000000010040010028000004100000048800002800000,14000000003001,090000000000010000000000000000004001000000009000000000000000000000000640402000,00000000000000000302000003808001002191821f,0,12,19,1,0,3,31,32,-10.129,-0.556,0,-2.0,0.156501874,+,0.2543,-,0.2543,https://www.genome.jp/dbget-bin/www_bget?dr:D00410
5378,D05019, Metyrapone tartrate (USAN), Tests for pituitary function,V04CD01,VARIOUS,c1ncc(cc1)C(=O)C(c1cccnc1)(C)C,226.274,2.6371,66.2105,42.85,17,0,3,FJLBFSROUSIWMA-UHFFFAOYSA-N,C14H14N2O,O=C(C(c1cccnc1)(C)C)c1cccnc1,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",-2.818,-1.0601,-1.056,-1.0539,-1.0512,-0.9958,0.5553,0.5578,0.8039,0.8725,1.0919,D05019_V04CD01,00050000002000800200020000004000000000000000000800000000000004001c0040080000802000821408000100c00100000000042000040000020000000004000400000000400008000000880003001000400400100040000800000840000000000000200000000000000010040010028000004100000048800002800000,14000000003001,090000000000010000000000000000004001000000009000000000000000000000000640402000,00000000000000000302000003808001002191821f,0,12,19,1,0,3,31,32,-10.129,-0.557,0,0.0,0.15649618199999998,+,0.2543,-,0.2543,https://www.genome.jp/dbget-bin/www_bget?dr:D05019
5379,D04291, Galactose (NF), Tests for liver functional capacity,V04CE01,VARIOUS,[C@H]1([C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)CO,180.15599999999998,-3.2214,35.736,110.38,18,5,6,WQZGKKKJIJFFOK-PHYPRBDBSA-N,C6H12O6,OCC1OC(O)C(C(C1O)O)O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",-3.8558,-3.1594,-2.2484,-1.92,-1.909,-1.9073,1.8995,1.9368,2.3122,2.3356,2.4063,D04291_V04CE01,000000000000a000000000000002000020000020000000000000000000040000100000080000000500000000200000000100000000204011000000000000000008902a00000000000000800200000000008000400000000020000001000000000000000000280000000000004000288000010100000000000000000100000000,0000003c30a001,00380000000100410000000000000000000000000000000000000000000000000000043f402004,000000000000300180000207021000440c4da2551c,0,0,24,0,0,1,24,24,-10.585,1.4580000000000002,5,,0.000388227,-,0.4673,-,0.4673,https://www.genome.jp/dbget-bin/www_bget?dr:D04291
5380,D08548, Sulphobromophthalein (BAN), Tests for liver functional capacity,V04CE02,VARIOUS,c1(c(c(c2c(c1Br)C(OC2=O)(c1cc(c(cc1)O)S(=O)(=O)O)c1cc(c(cc1)O)S(=O)(=O)O)Br)Br)Br,794.033,7.2651,139.187,192.26,18,4,10,OHTXTCNTQJFRIG-UHFFFAOYSA-N,C20H10Br4O10S2,Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)O)O)c1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)",-9.6712,-9.6669,-9.6447,-9.6371,-9.1153,-9.113,2.8872,3.6994,3.6998,3.7612,5.0321,D08548_V04CE02,20040108080000d202200600800200020000004000005a00002202a0008400001c00400820400000600b0208000000800020020000800000001600020042020008000802800a20c10200210812800800008880e00020001840080800020980420002000d4004000200c00108120100000002d1000aa100200888805200420000,0400000432b005,00000000000000000000a000000000004005000000110000000022000000000000004640403800,00000000c0a054bf1601c5813087014ca6cdab521e,0,18,26,5,0,4,46,49,-4.772,2.7089999999999996,0,0.0,1.17946e-06,+,2.8173,-,2.8173,https://www.genome.jp/dbget-bin/www_bget?dr:D08548
5381,D02210, Sulfobromophthalein sodium (JP17), Tests for liver functional capacity,V04CE02,VARIOUS,c1(c(c(c2c(c1Br)C(OC2=O)(c1cc(c(cc1)O)S(=O)(=O)O)c1cc(c(cc1)O)S(=O)(=O)O)Br)Br)Br,794.033,7.2651,139.187,192.26,18,4,10,OHTXTCNTQJFRIG-UHFFFAOYSA-N,C20H10Br4O10S2,Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)O)O)c1ccc(c(c1)S(=O)(=O)O)O,"InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)",-9.674,-9.6692,-9.6422,-9.6358,-9.113999999999999,-9.1112,2.8811,3.0533,3.7024,3.7094,5.0344,D02210_V04CE02,20040108080000d202200600800200020000004000005a00002202a0008400001c00400820400000600b0208000000800020020000800000001600020042020008000802800a20c10200210812800800008880e00020001840080800020980420002000d4004000200c00108120100000002d1000aa100200888805200420000,0400000432b005,00000000000000000000a000000000004005000000110000000022000000000000004640403800,00000000c0a054bf1601c5813087014ca6cdab521e,0,18,26,5,0,4,46,49,-4.685,2.4530000000000003,0,,5.952879999999999e-07,-,7422.5488,-,7422.5488,https://www.genome.jp/dbget-bin/www_bget?dr:D02210
5382,D01187, Betazole hydrochloride (JAN), Tests for gastric secretion,V04CG02,VARIOUS,c1(CC[NH3+])n[nH]cc1,112.15299999999999,-0.8059,32.3258,56.32,11,2,1,JXDFEQONERDKSS-UHFFFAOYSA-O,C5H10N3+,C(c1cc[nH]n1)C[NH3+],"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)/p+1",-5.3953,-5.3903,-5.2887,-4.1526,-2.5483,-2.2475,1.5435,1.5927,1.7396,1.743,1.7649,D01187_V04CG02,20000000000000000200060004000004000000000000120000000000002000001000000100088000000000120000000040002200000040000000000a000000000c200400000000000000000000000010800000400080000000000c00000000000002000000000000020000000000000100060000000100200800000000000000,0100000000f001,0200c0000400000000000000000000000000000000009400000000000000000000000600c03200,0000000000000900118006a68840a0090421442d13,0,5,13,0,0,2,18,18,-12.995999999999999,-4.245,0,1.0,4.60008e-08,+,0.3835,-,0.3835,https://www.genome.jp/dbget-bin/www_bget?dr:D01187
5383,D04445, Histamine phosphate (USP), Tests for gastric secretion,V04CG03,VARIOUS,c1c(nc[nH]1)CC[NH3+],112.15299999999999,-0.8059,32.3258,56.32,11,2,1,NTYJJOPFIAHURM-UHFFFAOYSA-O,C5H10N3+,C(c1c[nH]cn1)C[NH3+],"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1",-5.3956,-5.3917,-5.2891,-4.1512,-2.1118,-1.432,1.5429,1.5891,1.7398,1.7478,1.7633,D04445_V04CG03,00000020000000400000460004000004000000000000000000020000000004001000000000000021000000100008000000000040000000000000000a0000000004000c00000002000000100000000000000800400080002000020900000140000000000000200000000000004000000410040001000000000000000002000000,0100000000f001,0200c0000400000000000000000000000000000000009400000000000000000000000600c02a00,000000000000010001d006868840a0010421442d13,0,5,13,0,0,2,18,18,-12.527000000000001,-4.341,0,1.0,4.53974e-08,+,0.4721,-,0.4721,https://www.genome.jp/dbget-bin/www_bget?dr:D04445
5384,D01631, Pentagastrin (JAN/USAN/INN), Tests for gastric secretion,V04CG04,VARIOUS,C(C[C@H](NC(=O)[C@@H](NC(=O)CCNC(=O)OCC(C)C)Cc1c2c(cccc2)[nH]c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)SC,767.8910000000001,4.0325,202.25799999999998,276.21,64,8,16,ALXRNCVIQSDJAO-KRCBVYEFSA-N,C37H49N7O9S,CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C,"InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1",-6.0745,-5.0628,-4.7766,-4.5915,-4.4356,-4.3485,2.6241,2.6242,2.628,2.6339,2.697,D01631_V04CG04,202e8101004204a03b0006000202000c000020100002000802100080017804001800409383038021988e38380001004001020000180ce00001000802001002040c001e0040000084012944000288011e00b0044004003008e0490900800a40840c0000200020000000800002001214005006914500011000003e400002000600,0400000c30b103,0700010010000000000088000e0000400040000100008400000000000000000000004600402804,000040000000300001c2aede99733ca58c3f57ff1f,0,16,82,7,0,28,103,105,-5.033,1.891,4,,0.010579278999999999,-,8.2928,-,8.2928,https://www.genome.jp/dbget-bin/www_bget?dr:D01631
5385,D02409, Caffeine and sodium benzoate (JP17), Tests for gastric secretion,V04CG30,VARIOUS,c12c(n(c(=O)n(c1=O)C)C)ncn2C,194.19099999999997,-1.0293,52.038999999999994,61.82,13,0,6,RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",-4.7804,-4.5873,-3.0921,-3.0075,-2.9667,-1.7339,1.2794,1.4083,1.4861,1.4933,1.5144,D02409_V04CG30,80020000000000c000004600004000000000040000000060000020c00000040004003000410080214000001000010080000000000000400000800800000080000c000c00800028000000400000900000000000000c80000ca000008000014006000000000080000000c00000400008000007010200000800001880002a000000,00000000003001,000000000000000000008000200000004042040000009900000000000000000000004640401000,000000003000000001d414d91323914380f138ea1f,0,10,13,2,0,0,24,25,-9.288,-0.135,0,0.0,0.001586943,-,0.8214,-,0.8214,https://www.genome.jp/dbget-bin/www_bget?dr:D02409
5386,D01563, Indigotindisulfonate sodium (USP), Tests for renal function,V04CH02,VARIOUS,c1(ccc2c(c1)C(=O)/C(=C/1\Nc3ccc(cc3C1=O)S(=O)(=O)O)/N2)S(=O)(=O)O,422.389,3.7458,101.042,183.7,18,4,10,CFZXDJWFRVEWSR-BUHFOSPRSA-N,C16H10N2O8S2,O=C1C(=C2Nc3c(C2=O)cc(cc3)S(=O)(=O)O)Nc2c1cc(cc2)S(=O)(=O)O,"InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+",-9.677,-9.6746,-9.6578,-9.6572,-9.1101,-9.1079,2.5862,2.5867,2.6329,2.635,5.0561,D01563_V04CH02,21060160205000860202062000880004c0110c401000400080000084000000009d0040890080802080022218800010c00028000000022308008010020100050000800000c00322800200200000c0040000a000600420280840089808000c80010a0600000100000000008100610100200026d100022110000228800002404000,1400000000b021,000040800000010000080000000000004003000000000000000022000000000000004640407800,00000000c09064be144985c035838049c6edeb6a1f,0,12,22,7,0,2,38,41,-4.113,2.772,0,1.0,2.1418199999999998e-07,+,2.3448,-,2.3448,https://www.genome.jp/dbget-bin/www_bget?dr:D01563
5387,D01200, Phenolsulfonphthalein (JP17/NF), Tests for renal function,V04CH03,VARIOUS,c1c(ccc(c1)C1(c2ccc(cc2)O)OS(=O)(=O)c2c1cccc2)O,354.376,4.1894,91.569,92.21,19,2,5,BELBBZDIHDAJOR-UHFFFAOYSA-N,C19H14O5S,Oc1ccc(cc1)C1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1)O,"InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H",-9.6709,-9.6488,-6.1235,-3.2697,-1.9162,-1.8986,1.2739,1.2753,1.7312,1.7369,2.3916,D01200_V04CH03,222401000000004202000220800000000000004200005200000000a00020000018004008880000002000000800000080002002000002800000000002800008100800480802022880020000000200002800802960002100084008080000011000000240010000008200411000800002800002d140000500200800800000000000,0000000402b001,000000000000000000000000000000000000000000010000000028000000000000004640402000,00000000c880443f060185803083814886cd8b501e,0,18,22,2,0,2,39,42,-9.661,-0.743,0,,0.44288811100000003,-,1.1354,-,1.1354,https://www.genome.jp/dbget-bin/www_bget?dr:D01200
5388,D06890, Aminohippuric acid (USP), Tests for renal function,V04CH30,VARIOUS,c1c(ccc(c1)C(=O)NCC(=O)O)N,194.187,1.0553,50.4214,92.42,14,3,5,HSMNQINEKMPTIC-UHFFFAOYSA-N,C9H10N2O3,O=C(c1ccc(cc1)N)NCC(=O)O,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",-5.1066,-5.105,-4.5602,-4.4206,-4.1611,-3.8386,1.7244,2.2416,2.3677,2.4572,2.4731,D06890_V04CH30,00020000004004a001000600000100000000008000000000000000c0000000000c00400000000022008e020800000040000000000000000000000002000000100800080040040000000000000288000200a00040040020004008000000000000001000020000000000000000800000000006018000010000004800000a800000,0400000c00b023,0000400800000000000088000a0000000001000000000000000000000000000000000240402800,000000000000200000000a4888201004dc24427f1f,0,6,16,2,0,4,24,24,-4.703,2.7230000000000003,0,0.0,1.91059e-07,-,0.2832,-,0.2832,https://www.genome.jp/dbget-bin/www_bget?dr:D06890
5389,D01421, Aminohippurate sodium (USP), Tests for renal function,V04CH30,VARIOUS,N(CC(=O)O)C(=O)c1ccc(cc1)N,194.187,1.0553,50.4214,92.42,14,3,5,HSMNQINEKMPTIC-UHFFFAOYSA-N,C9H10N2O3,O=C(c1ccc(cc1)N)NCC(=O)O,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",-5.1088,-5.1062,-4.5555,-4.422,-4.1434,-3.8327,1.6418,2.2402,2.3633,2.4798,2.5713,D01421_V04CH30,00020000004004a001000600000100000000008000000000000000c0000000000c00400000000022008e020800000040000000000000000000000002000000100800080040040000000000000288000200a00040040020004008000000000000001000020000000000000000800000000006018000010000004800000a800000,0400000c00b023,0000400800000000000088000a0000000001000000000000000000000000000000000240402800,000000000000200000000a4888201004dc24427f1f,0,6,16,2,0,4,24,24,-4.702,2.727,0,0.0,3.5689300000000004e-07,-,0.2656,-,0.2656,https://www.genome.jp/dbget-bin/www_bget?dr:D01421
5390,D00176, Protirelin (JP17/USAN/INN), Tests for thyreoidea function,V04CJ02,VARIOUS,C1[C@H](NC(=O)C1)C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N)Cc1cnc[nH]1,362.384,-0.4502,96.8465,150.28,31,4,9,XNSAINXGIQZQOO-SRVKXCTJSA-N,C16H22N6O4,O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",-4.8111,-4.331,-4.3261,-4.2336,-4.2083,-3.9116,2.1667,2.3783,2.6054,2.6209,2.7117,D00176_V04CJ02,0022002000400060090046000400000c00010010000000000002000000100400180010120300002120062430000c002001020040180000000000000e0000000004000c00000002810128100012800006003801500080202080020b00800940000c00002020200000100000004002000410048005000010000030000102000304,0400000000b001,0200000000000000000080003e0000400000000000009400000000000000000000000600403804,000000000000300001d41cce8860b0c38d696e6f1b,0,5,41,4,0,8,48,50,-9.42,0.7809999999999999,3,0.0,0.06583111700000001,+,2.8476,-,2.8476,https://www.genome.jp/dbget-bin/www_bget?dr:D00176
5391,D02007, Protirelin tartrate hydrate (JP17), Tests for thyreoidea function,V04CJ02,VARIOUS,C1[C@H](NC(=O)C1)C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C(=O)N)Cc1cnc[nH]1,362.384,-0.4502,96.8465,150.28,31,4,9,XNSAINXGIQZQOO-SRVKXCTJSA-N,C16H22N6O4,O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",-4.7912,-4.337,-4.3321,-4.2148,-4.2128,-3.8955,2.1751,2.3612,2.5331,2.6065,2.6264,D02007_V04CJ02,0022002000400060090046000400000c00010010000000000002000000100400180010120300002120062430000c002001020040180000000000000e0000000004000c00000002810128100012800006003801500080202080020b00800940000c00002020200000100000004002000410048005000010000030000102000304,0400000000b001,0200000000000000000080003e0000400000000000009400000000000000000000000600403804,000000000000300001d41cce8860b0c38d696e6f1b,0,5,41,4,0,8,48,50,-9.418,0.784,3,,0.065832883,+,2.8476,-,2.8476,https://www.genome.jp/dbget-bin/www_bget?dr:D02007
5392,D01346, Bentiromide (JAN/USAN/INN), Tests for pancreatic function,V04CK03,VARIOUS,c1(ccc(cc1)C[C@@H](C(=O)Nc1ccc(cc1)C(=O)O)NC(=O)c1ccccc1)O,404.415,3.5341,111.54799999999999,115.73,26,4,7,SPPTWHFVYKCNNK-FQEVSTJZSA-N,C23H20N2O5,O=C(C(NC(=O)c1ccccc1)Cc1ccc(cc1)O)Nc1ccc(cc1)C(=O)O,"InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1",-4.3761,-4.3122,-4.1326,-3.8532,-3.7974,-3.6458,1.8923,1.9417,1.9726,2.3029,2.3672,D01346_V04CK03,00060000004004e00b0006000081000c8000009000001200000000c0000800001e00408300200020208e2238000110400102020008000008000000020000040008000c004004020000a010000288000600b0004004003808c00a0900800900000c1000020000000200600000000000200006098420011020083a000002c00000,0400000c02b003,0200000000000000000088000a0000000001000000010000000000000000000000000240402804,00000000000020000040004a80601144d46cc37e1f,0,18,31,3,0,9,50,52,-4.582,1.255,1,,0.0019981210000000003,-,1.7562,+,1.7562,https://www.genome.jp/dbget-bin/www_bget?dr:D01346
5393,D02240, Diatrizoic acid (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I)NC(=O)C,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.3655,-4.3317,-3.8053,-3.8021,-3.2242,-3.2239999999999998,1.4935,1.4965,1.9355,1.9369,2.2803,D02240_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.121,2.1959999999999997,0,0.0,2.4914499999999997e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D02240
5394,D01013, Diatrizoate sodium (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I)NC(=O)C,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.3953,-4.2433,-3.8082,-3.8036,-3.2314,-3.2245,1.4981,1.5030000000000001,1.9331,1.9387,2.2921,D01013_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.121,2.197,0,,2.4937e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D01013
5395,D01940, Meglumine sodium amidotrizoate injectio," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I)NC(=O)C,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.4107,-4.225,-3.8043,-3.8016,-3.2305,-3.2181,1.4971,1.4987,1.9351,1.9359,2.3062,D01940_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.121,2.1919999999999997,0,,2.49284e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D01940
5396,D02015, Diatrizoate meglumine (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1NC(=O)C)I)C(=O)O)I)NC(=O)C)I,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.324,-4.313,-3.8055,-3.8038,-3.2419,-3.2287,1.4916,1.4976,1.9353,1.9363,2.2574,D02015_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.124,2.1919999999999997,0,,2.39127e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D02015
5397,D03768, Diatrizoate sodium I 125 (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I)NC(=O)C,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.3905,-4.2839,-3.8026,-3.7749,-3.2397,-3.228,1.4975,1.5047,1.9316,1.9393,2.2904,D03768_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.126,2.1919999999999997,0,,2.49495e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D03768
5398,D03770, Diatrizoate sodium I 131 (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA01,VARIOUS,c1(c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I)NC(=O)C,613.914,3.2614,100.178,95.5,14,3,6,YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",-4.3764,-4.2086,-3.8078,-3.8066,-3.2291,-3.227,1.4980000000000002,1.5027,1.9368,1.9387,2.2771,D03770_V08AA01,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000010000080400800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.126,2.194,0,0.0,2.49256e-05,+,0.6492,-,0.6492,https://www.genome.jp/dbget-bin/www_bget?dr:D03770
5399,D01880, Metrizoate sodium (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA02,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)NC(=O)C)I)N(C(=O)C)C)I,627.94,3.2127,105.079,86.71,16,2,6,GGGDNPWHMNJRFN-UHFFFAOYSA-N,C12H11I3N2O4,CC(=O)Nc1c(I)c(N(C(=O)C)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)",-4.3737,-4.3135,-3.7818,-3.7808,-3.2541,-2.8633,1.1625,1.4957,1.6972,1.9326,2.2752,D01880_V08AA02,00020000000020c0010006000080c220800000100004c0000000108000000c000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000080000004040000000000c00060100000118400008000002500000,0400000c00b003,0100000000000000000088001a0000004005000000200000000000000000000000000240402801,00000004000000000080501800241006f4bc7afa1f,0,6,23,3,0,5,32,32,-5.098,2.2319999999999998,0,,1.4378699999999998e-05,+,0.7195,-,0.7195,https://www.genome.jp/dbget-bin/www_bget?dr:D01880
5400,D01376, Iodamide (JAN/USAN/INN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA03,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)CNC(=O)C)I)NC(=O)C)I,627.94,3.2569999999999997,103.447,95.5,16,3,6,VVDGWALACJEJKG-UHFFFAOYSA-N,C12H11I3N2O4,CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",-4.4039,-4.3507,-4.242,-3.841,-3.8085,-3.8022,1.4668,1.4933,1.9365,2.3057,2.3656,D01376_V08AA03,00020000000024c00100060000814220800000900000c008000000c0000004000c00500000200320208e0208400011c0040000e0000100080000000200000400080008184004080000001002428800000080004004002840500c000001078000001000020000001000c040080100000400060100000118600008800002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000420c08241804f4ac72ff1f,0,6,23,3,0,6,32,32,-5.307,2.0340000000000003,0,0.0,4.63191e-05,+,0.7020000000000001,-,0.7020000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01376
5401,D01979, Iodamide meglumine (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA03,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)CNC(=O)C)I)NC(=O)C)I,627.94,3.2569999999999997,103.447,95.5,16,3,6,VVDGWALACJEJKG-UHFFFAOYSA-N,C12H11I3N2O4,CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",-4.4002,-4.3494,-4.2318,-3.8409,-3.8082,-3.8068,1.4669999999999999,1.4964,1.9351,2.2974,2.3759,D01979_V08AA03,00020000000024c00100060000814220800000900000c008000000c0000004000c00500000200320208e0208400011c0040000e0000100080000000200000400080008184004080000001002428800000080004004002840500c000001078000001000020000001000c040080100000400060100000118600008800002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000420c08241804f4ac72ff1f,0,6,23,3,0,6,32,32,-5.307,2.036,0,0.0,4.6346999999999995e-05,+,0.7020000000000001,-,0.7020000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D01979
5402,D02036, Meglumine sodium iodamide (JAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA03,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)CNC(=O)C)I)NC(=O)C)I,627.94,3.2569999999999997,103.447,95.5,16,3,6,VVDGWALACJEJKG-UHFFFAOYSA-N,C12H11I3N2O4,CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",-4.3971,-4.3439,-4.2154,-3.8428,-3.8083,-3.8037,1.4757,1.4952,1.9351,2.2938,2.3712,D02036_V08AA03,00020000000024c00100060000814220800000900000c008000000c0000004000c00500000200320208e0208400011c0040000e0000100080000000200000400080008184004080000001002428800000080004004002840500c000001078000001000020000001000c040080100000400060100000118600008800002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000420c08241804f4ac72ff1f,0,6,23,3,0,6,32,32,-5.307,2.036,0,,4.6358999999999994e-05,+,0.7020000000000001,-,0.7020000000000001,https://www.genome.jp/dbget-bin/www_bget?dr:D02036
5403,D01258, Iothalamic acid (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA04,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NC)I)NC(=O)C)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.324,-4.3033,-4.1184,-3.8461,-3.8011,-3.6663,1.386,1.4948,1.9369,2.2981,2.3649,D01258_V08AA04,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.225,2.096,0,1.0,3.59609e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D01258
5404,D01999, Iothalamate meglumine (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA04,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)NC(=O)C)I)C(=O)NC)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.4112,-4.2325,-4.1115,-3.8272,-3.8028,-3.6536,1.4755,1.6586,1.9294,2.3085,2.3923,D01999_V08AA04,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.247999999999999,2.154,0,,3.55676e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D01999
5405,D03603, Iothalamate sodium (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA04,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NC)I)NC(=O)C)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.3137,-4.2941,-4.144,-3.8412,-3.7996,-3.634,1.3998,1.492,1.9411,2.2866,2.3835,D03603_V08AA04,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.221,2.095,0,,3.5933600000000004e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D03603
5406,D04595, Iothalamate sodium I 125 (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA04,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NC)I)NC(=O)C)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.3753,-4.2807,-4.1473,-3.8345,-3.8004,-3.6522,1.4075,1.4959,1.9406,2.2969999999999997,2.36,D04595_V08AA04,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.221,2.093,0,,3.59068e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D04595
5407,D04595, Iothalamate sodium I 125 (USP), Other renal system diagnostic radiopharmaceuticals,V09CX03,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NC)I)NC(=O)C)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.3675,-4.1886,-4.1692,-3.8429,-3.8003,-3.6376,1.4043,1.5072,1.9356,2.2638,2.3508,D04595_V09CX03,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.221,2.093,0,,3.59068e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D04595
5408,D04596, Iothalamate sodium I 131 (USP)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA04,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NC)I)NC(=O)C)I,613.914,2.9805,98.8612,95.5,14,3,6,UXIGWFXRQKWHHA-UHFFFAOYSA-N,C11H9I3N2O4,CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",-4.3721,-4.321000000000001,-4.1316,-3.8425,-3.8015,-3.6492,1.3935,1.4924,1.9359,2.2939,2.373,D04596_V08AA04,00020000000024c00100060000814220800000900000c00800000080000004000400500000200320208e020840001140040000e0000100080000000200000400080008184000080000001002408800000080004004002840500c0000010780000010000200008010004040080100000400060100000118400008000002500010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401800241004f4ac72fa1f,0,6,20,3,0,5,29,29,-5.224,2.096,0,,3.5902199999999997e-05,+,0.6633,-,0.6633,https://www.genome.jp/dbget-bin/www_bget?dr:D04596
5409,D07418, Ioxitalamic acid (INN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA05,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NCCO)I)NC(=O)C)I,643.94,2.343,104.83,115.73,17,4,7,OLAOYPRJVHUHCF-UHFFFAOYSA-N,C12H11I3N2O5,OCCNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",-4.3868,-4.2279,-4.1272,-3.8478,-3.8113,-3.6477,1.4938,1.9403,2.2847,2.3831,2.4042,D07418_V08AA05,00020000000024c00100060000814220800000900000c008000000c0000004000c00500000200322208e020840001140040000e0000100080000000200000410080008184004080000001002428800000080004004002840500c000001078000001000020000801000c04008810000040006010000011840004800000a500010,0400001c00b003,0118000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000020000000424888743004fcae66ff1f,0,6,24,3,0,7,33,33,-5.268,2.0,0,1.0,5.45364e-05,+,0.6925,-,0.6925,https://www.genome.jp/dbget-bin/www_bget?dr:D07418
5410,D08084, Meglumine ioxitalamate," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA05,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)C(=O)NCCO)I)NC(=O)C)I,643.94,2.343,104.83,115.73,17,4,7,OLAOYPRJVHUHCF-UHFFFAOYSA-N,C12H11I3N2O5,OCCNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",-4.368,-4.3298,-4.1485,-3.8328,-3.8019,-3.6372,1.4765,1.9349,2.2811,2.3927,2.4513,D08084_V08AA05,00020000000024c00100060000814220800000900000c008000000c0000004000c00500000200322208e020840001140040000e0000100080000000200000410080008184004080000001002428800000080004004002840500c000001078000001000020000801000c04008810000040006010000011840004800000a500010,0400001c00b003,0118000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000020000000424888743004fcae66ff1f,0,6,24,3,0,7,33,33,-5.272,1.99,0,1.0,5.36848e-05,+,0.6925,-,0.6925,https://www.genome.jp/dbget-bin/www_bget?dr:D08084
5411,D04574, Ioglicic acid (USAN/INN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA06,VARIOUS,c1(c(c(c(c(c1I)C(=O)NCC(=O)NC)I)C(=O)O)I)NC(=O)C,670.965,2.4876,111.477,124.6,19,4,8,HHFIATHHSBFCBY-UHFFFAOYSA-N,C13H12I3N3O5,CNC(=O)CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I,"InChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)",-4.3966,-4.313,-4.2866,-4.1352,-3.8663,-3.8358,1.9353,2.29,2.379,2.6069,2.6177,D04574_V08AA06,00020000004024e00100060000814228800000900000c008000000c0000004000c00500200200320208e022840001140040000e00001000800000002000004000800081840040800002010024288000200a0004004002840500c010001078000081000020000801000c040080100000400060104000118400028000002d00010,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000020000040425888641804fcac72ff1f,0,6,26,4,0,8,36,36,-5.167999999999999,2.165,0,0.0,8.60216e-05,+,1.2595,-,1.2595,https://www.genome.jp/dbget-bin/www_bget?dr:D04574
5412,D02457, Acetrizoic acid," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA07,VARIOUS,c1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I,556.862,3.23,85.865,66.4,9,2,4,GNOGSFBXBWBTIG-UHFFFAOYSA-N,C9H6I3NO3,CC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)",-4.4051,-4.2458,-3.8068,-3.22,-2.8706,-1.3356,0.9507,0.9623,1.5019,1.9349,2.3104,D02457_V08AA07,00020000000020c00100060000804220800000100000c00000000080000004000400500000200220200e020840001140040000a000010008000000020000040008000810400008000000100240800000008000400400280050080000010500000000000000000000004040000000000400060100000118400008000002500000,0400000c00b003,0100000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000400800241004f48462fa1f,0,6,14,2,0,3,22,22,-5.075,2.2840000000000003,0,,0.00032172799999999997,+,0.287,-,0.287,https://www.genome.jp/dbget-bin/www_bget?dr:D02457
5413,D01099, Iocarmic acid (JAN/USAN/INN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA08,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)NC(=O)CCCCC(=O)Nc1c(c(c(c(c1I)C(=O)NC)I)C(=O)O)I)I)C(=O)NC)I,1253.86,6.4952,205.222,191.0,30,6,12,SMQYOVYWPWASGU-UHFFFAOYSA-N,C24H20I6N4O8,CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)O)I,"InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)",-4.4039,-4.3674,-4.3554,-4.2712,-4.1834,-4.1501,2.3001,2.3034,2.3522,2.3771,2.6259,D01099_V08AA08,00020000000024c00100060000814220800000902000c00800000080000004001400500000200320308e021840001140050000e00021000800000002000004000800081840000a0000001002488800040090014004002840d00c0000010780000010000200008010006040080100002400060100000118400008000102500110,0400000c00b003,0200000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401e80643004fdac77fe1f,0,12,45,6,0,15,62,63,-4.35,3.0789999999999997,0,,0.00014425,-,3.9632,-,3.9632,https://www.genome.jp/dbget-bin/www_bget?dr:D01099
5414,D04562, Iocarmate meglumine (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA08,VARIOUS,c1(c(c(c(c(c1C(=O)O)I)NC(=O)CCCCC(=O)Nc1c(c(c(c(c1I)C(=O)NC)I)C(=O)O)I)I)C(=O)NC)I,1253.86,6.4952,205.222,191.0,30,6,12,SMQYOVYWPWASGU-UHFFFAOYSA-N,C24H20I6N4O8,CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)O)I,"InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)",-4.4252,-4.3595,-4.354,-4.242,-4.1455,-4.1246,2.2676,2.2897,2.3944,2.3992,2.6226,D04562_V08AA08,00020000000024c00100060000814220800000902000c00800000080000004001400500000200320308e021840001140050000e00021000800000002000004000800081840000a0000001002488800040090014004002840d00c0000010780000010000200008010006040080100002400060100000118400008000102500110,0400000c00b003,0200000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000401e80643004fdac77fe1f,0,12,45,6,0,15,62,63,-4.355,3.082,0,1.0,0.000144385,-,3.9632,-,3.9632,https://www.genome.jp/dbget-bin/www_bget?dr:D04562
5415,D09213, Methiodal sodium (INN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA09,VARIOUS,S(=O)(=O)(CI)O,222.002,1.3475,30.4198,62.75,5,1,3,RDFJFVXMRYVOAC-UHFFFAOYSA-N,CH3IO3S,ICS(=O)(=O)O,"InChI=1S/CH3IO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)",-8.925,-8.9238,-8.3959,-1.9803,-1.4833,-1.1518,0.6574,2.4088,2.5883,2.6149,3.255,D09213_V08AA09,2400010000002000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800200000200000000000000000020000000000000000000000002000000000000000000000000000000005000000000000000400000000000,0000000000a000,000400000000000000000000000000000000000000000000000022000000000000000000402800,0000000cc080441a14018000a0820008aa040a4508,0,0,6,2,0,1,9,8,-6.593999999999999,3.7569999999999997,0,1.0,4.2283699999999995e-09,+,0.4942,-,0.4942,https://www.genome.jp/dbget-bin/www_bget?dr:D09213
5416,D04571, Iodopyracet I 125 (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA10,VARIOUS,c1c(c(=O)c(cn1CC(=O)O)I)I,404.92800000000005,1.1421,63.9768,59.3,7,1,4,PVBALTLWZVEAIO-UHFFFAOYSA-N,C7H5I2NO3,OC(=O)Cn1cc(I)c(=O)c(c1)I,"InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)",-4.551,-4.4317,-3.6186,-2.363,-2.1585,-2.0158,1.2775,1.301,2.0069,2.3675,2.4598,D04571_V08AA10,00000000500020000000060000000000100004000000000000000000008000000200100400008022108a0018c0010340000000000001200000400040000000000cc00c040000000000004002808800000020014004000000c00000800000000200000000020000004000000000000400000601000040a0000000000002100000,0400000c00b003,000000000000000000008800000000004002000000208900000000000000000000000640402800,0000000400000000010450408b040147a8c5aa771f,0,6,10,2,0,2,18,18,-5.297000000000001,2.48,0,1.0,7.76916e-06,+,0.4376,-,0.4376,https://www.genome.jp/dbget-bin/www_bget?dr:D04571
5417,D04572, Iodopyracet I 131 (USAN)," Watersoluble, nephrotropic, high osmolar X-ray contrast media",V08AA10,VARIOUS,c1c(c(=O)c(cn1CC(=O)O)I)I,404.92800000000005,1.1421,63.9768,59.3,7,1,4,PVBALTLWZVEAIO-UHFFFAOYSA-N,C7H5I2NO3,OC(=O)Cn1cc(I)c(=O)c(c1)I,"InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)",-4.5554,-4.4201,-3.6176,-2.3609,-2.156,-2.0218,1.2756,1.306,2.0068,2.3639,2.4625,D04572_V08AA10,00000000500020000000060000000000100004000000000000000000008000000200100400008022108a0018c0010340000000000001200000400040000000000cc00c040000000000004002808800000020014004000000c00000800000000200000000020000004000000000000400000601000040a0000000000002100000,0400000c00b003,000000000000000000008800000000004002000000208900000000000000000000000640402800,0000000400000000010450408b040147a8c5aa771f,0,6,10,2,0,2,18,18,-5.295,2.478,0,0.0,7.76438e-06,+,0.4376,-,0.4376,https://www.genome.jp/dbget-bin/www_bget?dr:D04572
5418,D01311, Metrizamide (JAN/USAN/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB01,VARIOUS,c1(c(c(c(c(c1NC(=O)C)I)N(C)C(=O)C)I)C(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O)I,789.096,0.4351,138.769,168.66,33,6,11,BAQCROVBDNBEEB-PEKSGZBDSA-N,C18H22I3N3O8,OCC1OC(O)C(C(C1O)O)NC(=O)c1c(I)c(NC(=O)C)c(c(c1I)N(C(=O)C)C)I,"InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18-/m1/s1",-4.1333,-3.8501,-3.8123,-3.8057,-3.786,-3.6151,1.9586,2.0136,2.0194,2.3157,2.3554,D01311_V08AB01,000a00000000a4a0010006000083c020a10000b00006c000000010c001040c101c005008802001370086161860001140050200200021c0190000000200000410089029104814080000009003428800000080014004002800f008000101028000001000220028000000804008c000388c0007018000011840005800010a500010,0400003c30b001,0138000000010041000080001a000000400500000020000000000000000000000000067f402805,00000004000030018080525f03341046fcfdfbff1f,0,6,46,3,0,8,54,55,-10.332,-1.261,5,,0.182619184,+,1.2638,-,1.2638,https://www.genome.jp/dbget-bin/www_bget?dr:D01311
5419,D01817, Iohexol (JP17/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB02,VARIOUS,C(=O)(NC[C@@H](CO)O)c1c(c(c(c(c1I)C(=O)NC[C@@H](O)CO)I)N(C(=O)C)C[C@@H](O)CO)I,821.138,-0.8457,145.612,199.89,38,8,12,NTHXOOBQLCIOLC-OUAUKWLOSA-N,C19H26I3N3O9,OCC(CN(c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)C(=O)NCC(CO)O)I)C(=O)C)O,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)/t9-,10+,11-/m1/s1",-4.1454,-4.1118,-3.8442,-3.8433,-3.7773,-3.6553,2.3681,2.3843,2.3894,2.4482,2.6197,D01817_V08AB02,00020000000024a0010006000081402080000090a000c008000000c0010004001c005000802001270086121840001140040200200009800800000002000004100800081840040a0000001002428800000080014004002800500c000001028000001000020000801000804008810000240006010000111840005800000a500010,0400003c00b001,0138000000010000000080001a0000004005000000200000000000000000000000000240402805,00000004000030008000524a89341802fcaeeaff1f,0,6,51,3,0,15,60,60,-10.352,-1.4469999999999998,3,1.0,0.199152023,-,1.3496,-,1.3496,https://www.genome.jp/dbget-bin/www_bget?dr:D01817
5420,D01761, Ioxaglic acid (JAN/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB03,VARIOUS,C(=O)(c1c(c(c(c(c1I)C(=O)NCCO)I)NC(=O)CNC(=O)c1c(c(c(c(c1I)C(=O)NC)I)N(C)C(=O)C)I)I)O,1268.88,4.691,207.708,194.24,33,6,13,TYYBFXNZMFNZJT-UHFFFAOYSA-N,C24H21I6N5O8,OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(C(=O)NC)c(c(c2I)N(C(=O)C)C)I)c(c(c1I)C(=O)O)I,"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",-4.3579,-4.3305,-4.167,-4.1357,-4.1243,-3.8446,2.1435,2.2671,2.3923,2.6203,2.6374,D01761_V08AB03,00020000004024e00100060000814228800000904000c008000000c0000004000e00500200200322208e022840001140040000e00009000800000002000004100800081840040800002010024288000200a0004004002840500e010001078000081000020000801000c04008810000040006010420011840006800000ad00010,0400001c00b003,0118000000000000000088001a0000004005000000200000000000000000000000000240402801,00000004000020000040525888743006fcbe7fff1f,0,12,47,6,0,15,64,65,-5.4510000000000005,0.23199999999999998,0,,0.6285369989999999,-,4.1685,-,4.1685,https://www.genome.jp/dbget-bin/www_bget?dr:D01761
5421,D04598, Ioxaglate meglumine (USAN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB03,VARIOUS,C(=O)(c1c(c(c(c(c1I)C(=O)NCCO)I)NC(=O)CNC(=O)c1c(c(c(c(c1I)C(=O)NC)I)N(C)C(=O)C)I)I)O,1268.88,4.691,207.708,194.24,33,6,13,TYYBFXNZMFNZJT-UHFFFAOYSA-N,C24H21I6N5O8,OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(C(=O)NC)c(c(c2I)N(C(=O)C)C)I)c(c(c1I)C(=O)O)I,"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",-4.3812,-4.312,-4.1767,-4.1217,-4.1216,-3.8548,2.2801,2.3722,2.3999,2.6174,2.6269,D04598_V08AB03,00020000004024e00100060000814228800000904000c008000000c0000004000e00500200200322208e022840001140040000e00009000800000002000004100800081840040800002010024288000200a0004004002840500e010001078000081000020000801000c04008810000040006010420011840006800000ad00010,0400001c00b003,0118000000000000000088001a0000004005000000200000000000000000000000000240402801,00000004000020000040525888743006fcbe7fff1f,0,12,47,6,0,15,64,65,-5.452999999999999,0.239,0,-1.0,0.629853427,-,4.1685,-,4.1685,https://www.genome.jp/dbget-bin/www_bget?dr:D04598
5422,D04599, Ioxaglate sodium (USAN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB03,VARIOUS,C(=O)(c1c(c(c(c(c1I)C(=O)NCCO)I)NC(=O)CNC(=O)c1c(c(c(c(c1I)C(=O)NC)I)N(C)C(=O)C)I)I)O,1268.88,4.691,207.708,194.24,33,6,13,TYYBFXNZMFNZJT-UHFFFAOYSA-N,C24H21I6N5O8,OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(C(=O)NC)c(c(c2I)N(C(=O)C)C)I)c(c(c1I)C(=O)O)I,"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",-4.4333,-4.1779,-4.1595,-4.1379,-4.1004,-3.8461,2.0797,2.3117,2.4009,2.6215,2.6322,D04599_V08AB03,00020000004024e00100060000814228800000904000c008000000c0000004000e00500200200322208e022840001140040000e00009000800000002000004100800081840040800002010024288000200a0004004002840500e010001078000081000020000801000c04008810000040006010420011840006800000ad00010,0400001c00b003,0118000000000000000088001a0000004005000000200000000000000000000000000240402801,00000004000020000040525888743006fcbe7fff1f,0,12,47,6,0,15,64,65,-5.452999999999999,0.23600000000000002,0,0.0,0.629950166,-,4.1685,-,4.1685,https://www.genome.jp/dbget-bin/www_bget?dr:D04599
5423,D01797, Iopamidol (JP17/USP)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB04,VARIOUS,C(=O)(NC(CO)CO)c1c(c(c(c(c1I)C(=O)NC(CO)CO)I)NC(=O)[C@@H](O)C)I,777.085,-0.1595,134.74200000000002,188.45,33,8,11,XQZXYNRDCRIARQ-LURJTMIESA-N,C17H22I3N3O8,OCC(NC(=O)c1c(I)c(C(=O)NC(CO)CO)c(c(c1I)NC(=O)C(O)C)I)CO,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1",-4.1701,-4.1544,-3.8327,-3.8086,-3.7866,-3.6342,1.946,2.38,2.4438,2.5001,2.577,D01797_V08AB04,0002000000002480010006000081402080000090a000c008000000c0000004001c005000002001230086021840001140040000200009000900000002000004100800081840040a00000010024288000000d0004004002800500c000001028000001000020000801000804008810000240006010000111840004800000a500010,0400003c00b001,0138000000000000000080000a0000004005000000200000000000000000000000000240402804,00000004000030008000424b80741000f4aee2ff1f,0,6,44,3,0,13,53,53,-10.279000000000002,-1.186,1,0.0,0.353814721,+,1.1242,-,1.1242,https://www.genome.jp/dbget-bin/www_bget?dr:D01797
5424,D01893, Iopromide (JAN/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB05,VARIOUS,c1(c(c(c(c(c1C(=O)NC[C@@H](CO)O)I)NC(=O)COC)I)C(=O)N(C[C@H](CO)O)C)I,791.112,0.0574,139.567,168.66,35,6,11,DGAIEPBNLOQYER-DTWKUNHWSA-N,C18H24I3N3O8,COCC(=O)Nc1c(I)c(C(=O)NCC(CO)O)c(c(c1I)C(=O)N(CC(CO)O)C)I,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)/t8-,9+/m0/s1",-4.1857,-3.8258,-3.7944,-3.6351,-3.6336,-3.5774,2.1016,2.3274,2.3851,2.3858,2.4614,D01893_V08AB05,00020000000024a00100060000834020800000908000c008000000c0010004001c005000802001370086121840001140040200200009800800000082000004100800081840140800000010024288000000c0004004002c00500c000001028000001000020000801000804008810000040006010000111840005800000a500010,0400003c30b001,00b8000000010000000080001a0000004005000000200000000000000000000000000240402804,00000004000030008000725a897c1422fcaefaff1f,0,6,47,3,0,14,56,56,-10.072000000000001,-1.246,2,,0.430773675,+,1.1972,-,1.1972,https://www.genome.jp/dbget-bin/www_bget?dr:D01893
5425,D01714, Iotrolan (JAN/USAN/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB06,VARIOUS,C(=O)(N[C@H]([C@H](CO)O)CO)c1c(c(c(c(c1I)C(=O)N[C@H]([C@H](O)CO)CO)I)N(C(=O)CC(=O)N(c1c(c(C(=O)N[C@@H]([C@H](O)CO)CO)c(c(c1I)C(=O)N[C@@H]([C@@H](O)CO)CO)I)I)C)C)I,1626.23,-2.3307,284.303,399.78,72,16,24,XUHXFSYUBXNTHU-CAGVVAJDSA-N,C37H48I6N6O18,OCC(C(CO)O)NC(=O)c1c(I)c(N(C(=O)CC(=O)N(c2c(I)c(C(=O)NC(C(CO)O)CO)c(c(c2I)C(=O)NC(C(CO)O)CO)I)C)C)c(c(c1I)C(=O)NC(C(CO)O)CO)I,"InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)/t12-,13-,14+,15+,16-,17+,18-,19+",-4.2008,-4.1797,-4.1598,-4.0703,-3.8459,-3.8365,2.4607,2.5788,2.6097,2.6218,2.642,D01714_V08AB06,00020000000024a01100060000814020800000902000c008000000c0010004001c005000802001270086121840001160050200201009c00900000002000004100800081840040a0000001002428800080090005004002800700d000001038000001000020000801000804008810020240006010000011840005800000a500010,0400003c00b001,0238000000010000000080001a0000004005000000200000000000000000000000000240402807,00000004000030008080525f81741802fdaefbff1f,0,12,98,6,0,30,115,116,-9.686,-1.994,8,1.0,0.823575377,-,7.6125,-,7.6125,https://www.genome.jp/dbget-bin/www_bget?dr:D01714
5426,D01555, Ioversol (JAN/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB07,VARIOUS,C(=O)(NC[C@@H](CO)O)c1c(c(c(c(c1I)C(=O)NC[C@H](CO)O)I)N(CCO)C(=O)CO)I,807.1110000000001,-1.2342,140.805,199.89,36,8,12,AMDBBAQNWSUWGN-DTORHVGOSA-N,C18H24I3N3O9,OCCN(c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)C(=O)NCC(CO)O)I)C(=O)CO,"InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)/t8-,9+",-4.1653,-4.144,-3.8404,-3.8274,-3.7738,-3.6309,1.9744,2.3985,2.3986,2.4377,2.5857,D01555_V08AB07,00020000000024a00100060000814020800000908000c008000000c0010004001c005000802001270086121840001140040200200009800800000002000004100800081840042800000010024288000000c0004004002800500c000001028000001000020000801000804008810000040006010000111840005800000a500010,0400003c00b001,0038000000010000000080001a0000004005000000200000000000000000000000000240402804,00000004000030008000524e89743082fdaeee7f1f,0,6,48,3,0,15,57,57,-9.629,-1.6269999999999998,2,,0.206930086,-,1.2123,-,1.2123,https://www.genome.jp/dbget-bin/www_bget?dr:D01555
5427,D04582, Iopentol (USAN/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB08,VARIOUS,c1(c(c(c(c(c1I)C(=O)NC[C@@H](CO)O)I)N(C[C@@H](COC)O)C(=O)C)I)C(=O)NC[C@H](CO)O,835.164,-0.1916,150.342,188.89,40,7,12,IUNJANQVIJDFTQ-TUAOUCFPSA-N,C20H28I3N3O9,COCC(CN(c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)C(=O)NCC(CO)O)I)C(=O)C)O,"InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)/t10-,11+,12-/m0/s1",-4.1202,-4.0948,-3.8465,-3.8457,-3.783,-3.7066,1.9288,1.9451,2.434,2.4509,2.6167,D04582_V08AB08,00020000000024a0010006000083402080000090a000c008000000c0010004001c005008802001270086121840001140040200200009800800000002000024100800081840040a0000001002428800000080014004002800500c000001028000001000020000801000804008810000240006010000111840005800000a500010,0400003c30b001,01b8000000010000000080001a0000004005000000200000000000000000000000000240402805,00000004000030008000725a893c1c22fcaefaff1f,0,6,54,3,0,16,63,63,-9.677,-2.208,3,,0.242575437,+,1.4038,-,1.4038,https://www.genome.jp/dbget-bin/www_bget?dr:D04582
5428,D01474, Iodixanol (JAN/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB09,VARIOUS,c1(c(c(c(c(c1C(=O)NC[C@@H](CO)O)I)C(=O)NC[C@@H](CO)O)I)N(C[C@@H](CN(c1c(c(C(=O)NC[C@@H](CO)O)c(c(c1I)C(=O)NC[C@H](CO)O)I)I)C(=O)C)O)C(=O)C)I,1550.18,-0.0233,271.204,339.09,65,13,21,NBQNWMBBSKPBAY-FKSLSLAPSA-N,C35H44I6N6O15,OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,"InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)/t15-,16-,17-,18+,19-/m0/s1",-4.1851,-4.1677,-4.1634,-4.1625,-3.8257,-3.8227,2.4659999999999997,2.4852,2.6041,2.617,2.6193,D01474_V08AB09,00020000000024a0110006000081402080000090a000c008000000c0010004001c0050008020012700861a1840001160040200200009800800000002000004100800081840040a0000001002428800000080004004002800700d000001028000001000020000801000804008810000240006010000111840005c00000a500010,0400003c00b001,0138000000010000000080001a0000004005000000200000000000000000000000000240402805,00000004000030008080524a89341802fcaefbff1f,0,12,89,6,0,28,106,107,-9.662,-2.448,4,-1.0,0.962430358,-,7.1123,-,7.1123,https://www.genome.jp/dbget-bin/www_bget?dr:D01474
5429,D01719, Iomeprol (JAN/USAN/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB10,VARIOUS,C(=O)(NC[C@@H](CO)O)c1c(c(c(c(c1I)C(=O)NC[C@H](CO)O)I)N(C)C(=O)CO)I,777.085,-0.5967,134.836,179.66,33,7,11,NJKDOADNQSYQEV-OCAPTIKFSA-N,C17H22I3N3O8,OCC(CNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)CO)C)I)O,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)/t7-,8+",-4.1493,-4.1346,-3.8507,-3.8339999999999996,-3.7914,-3.6339,2.3635,2.3789,2.3818,2.3909,2.5799,D01719_V08AB10,00020000000024a00100060000814020800000908000c008000000c0010004001c005000802001270086121840001140040200200009800800000002000004100800081840040800000010024288000000c0004004002800500c000001028000001000020000801000804008810000040006010000111840005800000a500010,0400003c00b001,0038000000010000000080001a0000004005000000200000000000000000000000000240402804,00000004000030008000525a89741802fcaeeaff1f,0,6,44,3,0,13,53,53,-9.664,-1.544,2,0.0,0.23473116800000002,+,1.1097,-,1.1097,https://www.genome.jp/dbget-bin/www_bget?dr:D01719
5430,D01181, Iobitridol (JAN/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB11,VARIOUS,C(=O)(N(C[C@@H](CO)O)C)c1c(c(c(c(c1I)C(=O)N(C[C@H](CO)O)C)I)NC(=O)C(CO)CO)I,835.164,-1.0369,150.514,191.1,40,7,12,YLPBXIKWXNRACS-PHIMTYICSA-N,C20H28I3N3O9,OCC(C(=O)Nc1c(I)c(C(=O)N(CC(CO)O)C)c(c(c1I)C(=O)N(CC(CO)O)C)I)CO,"InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)/t10-,11+",-3.7768,-3.7739999999999996,-3.6791,-3.5951,-3.5903,-3.2502,2.0234,2.1175,2.188,2.3748,2.3815,D01181_V08AB11,00020000000024a00100060000814020800000902000c008000000c0010004001c005000802001270086121840001140040200200009800900000002000004100800081840040a0000001002428800100090014004002800500c000001028000001000020000801000804008810000240006010000011840005800000a500010,0400003c00b001,0438000000010000000080001a0000004005000000200000000000000000000000000240402804,00000004000030008000725b893c1402fcaefaff1f,0,6,54,3,0,15,63,63,-9.982999999999999,-1.234,2,0.0,0.262702316,-,1.3861,-,1.3861,https://www.genome.jp/dbget-bin/www_bget?dr:D01181
5431,D02161, Ioxilan (JAN/USP/INN)," Watersoluble, nephrotropic, low osmolar X-ray contrast media",V08AB12,VARIOUS,c1(c(c(c(c(c1C(=O)NCCO)I)N(C(=O)C)C[C@H](CO)O)I)C(=O)NC[C@H](CO)O)I,791.112,-0.2066,139.643,179.66,35,7,11,UUMLTINZBQPNGF-NXEZZACHSA-N,C18H24I3N3O8,OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,"InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)/t9-,10-/m1/s1",-4.1382,-4.1232,-3.8393,-3.7853,-3.7669,-3.7473,1.9106,1.9181,1.9568,2.3256,2.6299,D02161_V08AB12,00020000000024a0010006000081402080000090a000c008000000c0010004001c005000802001270086121840001140040200200009800800000002000004100800081840040a0000001002428800000080014004002800500c000001028000001000020000801000804008810000240006010000111840005800000a500010,0400003c00b001,0138000000010000000080001a0000004005000000200000000000000000000000000240402805,00000004000030008000524a89743802fcaeeeff1f,0,6,47,3,0,14,56,56,-9.885,-1.535,2,0.0,0.31258583100000004,-,1.2045,-,1.2045,https://www.genome.jp/dbget-bin/www_bget?dr:D02161
5432,D01312, Iodoxamic acid (JAN/USAN/INN)," Watersoluble, hepatotropic X-ray contrast media",V08AC01,VARIOUS,c1(cc(c(c(c1C(=O)O)I)NC(=O)CCOCCOCCOCCOCCC(=O)Nc1c(cc(c(c1I)C(=O)O)I)I)I)I,1287.92,6.2804,212.412,169.72,36,4,12,WWVAPFRKZMUPHZ-UHFFFAOYSA-N,C26H26I6N2O10,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)",-4.4708,-4.4093,-4.3234,-4.1956,-3.8039,-3.7969999999999997,1.93,1.9343,2.4104,2.4548,2.4551,D01312_V08AC01,00020000000020c00100060000824220a00000102000c00000000080000404001400500880200225200e021860001140040000a000018008000000020000240008800a1040000a000000180240800010009001400400280050080000012500004000000000000000004060000000042400060100000118400008000002500000,0400000c30b003,0280000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000008000600b817430a4fdae677f1f,0,12,55,4,0,21,70,71,-4.231,3.03,0,0.0,0.014714973999999999,-,3.1452,-,3.1452,https://www.genome.jp/dbget-bin/www_bget?dr:D01312
5433,D04573, Iodoxamate meglumine (USAN)," Watersoluble, hepatotropic X-ray contrast media",V08AC01,VARIOUS,c1(cc(c(c(c1C(=O)O)I)NC(=O)CCOCCOCCOCCOCCC(=O)Nc1c(cc(c(c1I)C(=O)O)I)I)I)I,1287.92,6.2804,212.412,169.72,36,4,12,WWVAPFRKZMUPHZ-UHFFFAOYSA-N,C26H26I6N2O10,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)",-4.4037,-4.3719,-4.3346,-4.2497,-3.8036,-3.7833,1.9283,2.0106,2.2886,2.3025,2.3897,D04573_V08AC01,00020000000020c00100060000824220a00000102000c00000000080000404001400500880200225200e021860001140040000a000018008000000020000240008800a1040000a000000180240800010009001400400280050080000012500004000000000000000004060000000042400060100000118400008000002500000,0400000c30b003,0280000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000008000600b817430a4fdae677f1f,0,12,55,4,0,21,70,71,-4.227,3.035,0,,0.01464373,-,3.1452,-,3.1452,https://www.genome.jp/dbget-bin/www_bget?dr:D04573
5434,D01388, Iotroxic acid (JP17/USAN/INN)," Watersoluble, hepatotropic X-ray contrast media",V08AC02,VARIOUS,c1c(c(c(c(c1I)NC(=O)COCCOCCOCC(=O)Nc1c(cc(c(c1I)C(=O)O)I)I)I)C(=O)O)I,1215.81,5.4836,192.09900000000002,160.49,27,4,11,JXMIBUGMYLQZGO-UHFFFAOYSA-N,C22H18I6N2O9,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)COCCOCCOCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)",-4.4534,-4.3968,-4.2695,-4.166,-3.8068,-3.7944,1.9271,1.939,2.3006,2.3268,2.3853,D01388_V08AC02,00020000000020c00100060000824220a00000108000c00800000080000404000400500800200236200e020840001140040000a000010008000000820000040008000b3048100800000010024080000000c0004004002c0050080000012500004000000000000000004040008000000400060180001118400008000002500000,0400000c30b003,0080000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000008000604c807430a4fdae677f1f,0,12,42,4,0,16,57,58,-4.034,3.089,0,0.0,5.26668e-05,-,2.3409999999999997,-,2.3409999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D01388
5435,D03902, Iotroxate meglumine," Watersoluble, hepatotropic X-ray contrast media",V08AC02,VARIOUS,c1(cc(c(c(c1C(=O)O)I)NC(=O)COCCOCCOCC(=O)Nc1c(cc(c(c1I)C(=O)O)I)I)I)I,1215.81,5.4836,192.09900000000002,160.49,27,4,11,JXMIBUGMYLQZGO-UHFFFAOYSA-N,C22H18I6N2O9,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)COCCOCCOCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)",-4.402,-4.3692,-4.2509,-4.1581,-3.7907,-3.7856,1.9373,1.9791,2.3016,2.327,2.3693,D03902_V08AC02,00020000000020c00100060000824220a00000108000c00800000080000404000400500800200236200e020840001140040000a000010008000000820000040008000b3048100800000010024080000000c0004004002c0050080000012500004000000000000000004040008000000400060180001118400008000002500000,0400000c30b003,0080000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000008000604c807430a4fdae677f1f,0,12,42,4,0,16,57,58,-4.342,2.93,0,0.0,4.68039e-05,-,2.3409999999999997,-,2.3409999999999997,https://www.genome.jp/dbget-bin/www_bget?dr:D03902
5436,D04577, Ioglycamic acid (USAN/INN)," Watersoluble, hepatotropic X-ray contrast media",V08AC03,VARIOUS,c1c(c(c(c(c1I)NC(=O)COCC(=O)Nc1c(cc(c(c1I)C(=O)O)I)I)I)C(=O)O)I,1127.71,5.4504,170.701,142.03,17,4,9,FZDZULUFHNDEDJ-UHFFFAOYSA-N,C18H10I6N2O7,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)COCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)",-4.4193,-4.3852,-4.3428,-4.2808,-3.8011,-3.7979,1.9295,1.9372,2.4133,2.4206,2.4698,D04577_V08AC03,00020000000020c00100060000824220800000108000c00800000080000404200400500000200232200e020840001140040000a00001000800000082000004000800081048100800000010024080000000c2004004002c0050080000010500000000000000000000004040008000000400060180001118400008000002500000,0400000c30b003,0080000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000008000604c80741024fcae637f1f,0,12,28,4,0,10,43,44,-3.9419999999999997,3.32,0,1.0,8.36904e-06,+,1.7975,-,1.7975,https://www.genome.jp/dbget-bin/www_bget?dr:D04577
5437,D01774, Iodipamide (USP)," Watersoluble, hepatotropic X-ray contrast media",V08AC04,VARIOUS,C(=O)(O)c1c(c(c(cc1I)I)NC(=O)CCCCC(=O)Nc1c(c(C(=O)O)c(cc1I)I)I)I,1139.76,6.9942,179.23,132.8,20,4,8,FFINMCNLQNTKLU-UHFFFAOYSA-N,C20H14I6N2O6,O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",-4.3937,-4.3742,-4.3094,-4.2343,-3.8015,-3.801,1.9304,1.9446,2.2875,2.291,2.3747,D01774_V08AC04,00020000000020c00100060000804220800000102000c00000000080000004001400500000200220300e021840001140050000a00021000800000002000004000800081040000a0000001002488000040090014004002800d0080000010500000000000000000000006040000000002400060100000118400008000102500100,0400000c00b003,0200000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000000000000400e80643004fdac677e1f,0,12,33,4,0,11,48,49,-4.19,3.258,0,,3.37346e-05,-,1.9142,-,1.9142,https://www.genome.jp/dbget-bin/www_bget?dr:D01774
5438,D01313, Iobenzamic acid (JAN/USAN/INN)," Watersoluble, hepatotropic X-ray contrast media",V08AC05,VARIOUS,c1(c(c(c(c(c1)I)C(=O)N(c1ccccc1)CCC(=O)O)I)N)I,661.9989999999999,4.7853,119.499,83.63,17,2,5,FJYJNLIEGUTPIJ-UHFFFAOYSA-N,C16H13I3N2O3,OC(=O)CCN(C(=O)c1c(I)cc(c(c1I)N)I)c1ccccc1,"InChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)",-5.0957,-5.0934,-4.537,-4.4815,-3.615,-2.6539,1.1583,1.3204,1.3603,1.6903,2.3643,D01313_V08AC05,00020000000024a00100060000814000800000800000c000000000c0011004001c00400080200121008e121840001140000200201001800801000002000004000800081040040a00000010024288000800d001500400280040080000000280000010000200000000008040000000002000060100000118000018000002500010,0400000c00b023,020040080000000000008800120000004005000000200000000000000000000000000240402800,00000004000000000000580a89643006fca46f7f1f,0,12,24,2,0,6,37,38,-4.602,1.65,0,,0.000189551,+,0.44299999999999995,-,0.44299999999999995,https://www.genome.jp/dbget-bin/www_bget?dr:D01313
5439,D01014, Iopanoic acid (JAN/USP/INN)," Watersoluble, hepatotropic X-ray contrast media",V08AC06,VARIOUS,c1(C[C@@H](C(=O)O)CC)c(c(c(cc1I)I)N)I,570.932,4.3171,94.9632,63.32,14,2,3,OIRFJRBSRORBCM-YFKPBYRVSA-N,C11H12I3NO2,CCC(C(=O)O)Cc1c(I)cc(c(c1I)N)I,"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)/t5-/m0/s1",-5.1009,-5.0931,-4.578,-4.4593,-1.8905,-1.1995,0.547,0.9015,1.1678,1.3581,2.4082,D01014_V08AC06,00040000000020000200060000004000000000000000c000000a0080000804001000400040808021000a0008400101400100000008014000000000020000000008000800400008000008200240800004009800400400100840080800000940000000000000000000000000000000000000020100020118000000000102100000,0400000c00b023,070040080000000000008800000000000000000000200000000000000000000000000200402804,00000004000000000000480600040a04748460fe1f,0,6,22,1,0,4,29,29,-4.34,2.0909999999999997,1,-1.0,0.001214215,+,0.1504,-,0.1504,https://www.genome.jp/dbget-bin/www_bget?dr:D01014
5440,D04563, Iocetamic acid (USAN)," Watersoluble, hepatotropic X-ray contrast media",V08AC07,VARIOUS,c1(c(c(c(cc1I)I)N)I)N(C[C@@H](C(=O)O)C)C(=O)C,613.957,3.7374,104.404,83.63,17,2,5,GSVQIUGOUKJHRC-YFKPBYRVSA-N,C12H13I3N2O3,CC(C(=O)O)CN(c1c(I)cc(c(c1I)N)I)C(=O)C,"InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)/t5-/m0/s1",-5.0981,-5.0971,-4.5636,-4.391,-3.7853,-2.7972,1.1853,1.2499,1.3559,1.7006,2.3694,D04563_V08AC07,00020000000020000100060000808000800000102004800000001000011008001800100080200021000e101840001140040200001001800801000000000004000800080040000a000000100242800008009001500400280040080000010000000000000000000000000000000000002800060000000010000010000002500000,0400000c00b023,050040080000000000008800120000000000000000200000000000000000000000000200402805,00000004000000000080580a09241c06f4a47aff1f,0,6,25,2,0,5,33,33,-4.346,1.403,1,,6.75995e-06,+,0.3934,-,0.3934,https://www.genome.jp/dbget-bin/www_bget?dr:D04563
5441,D01015, Ipodate sodium (USP)," Watersoluble, hepatotropic X-ray contrast media",V08AC08,VARIOUS,c1(c(c(c(c(c1)I)/[NH]=C/N(C)C)I)CCC(=O)O)I,598.965,3.9532,103.62700000000001,64.39,17,2,3,VMMCEPRQORDMBP-OMCISZLKSA-N,C12H14I3N2O2,OC(=O)CCc1c(I)cc(c(c1I)[NH]=CN(C)C)I,"InChI=1S/C12H14I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6,16H,3-4H2,1-2H3,(H,18,19)/b16-6+",-5.0399,-4.5681,-4.4312,-4.1783,-3.9816,-3.9752,1.5864,1.6174,1.8048,2.3644,2.3896,D01015_V08AC08,00040000000020000208860010004000000800000000c0400008008800080c001001400040808023000a0008400101404100000008014001000000020008000008000800c00008000808004240800004209800400400301842080801000940000000000000000000021000000000000000020100000518000000000002100000,0400000c00b023,020040100000000000008800000000000000000000200000000000000000000000000240432800,000000040000000000327016800460067ca47cfe1f,0,6,25,2,0,5,33,33,-6.4910000000000005,-3.51,0,,0.001186015,+,0.2178,-,0.2178,https://www.genome.jp/dbget-bin/www_bget?dr:D01015
5442,D01884, Tyropanoate sodium (USAN)," Watersoluble, hepatotropic X-ray contrast media",V08AC09,VARIOUS,N(C(=O)CCC)c1c(c(c(cc1I)I)C[C@@H](C(=O)O)CC)I,641.0219999999999,4.9653,114.486,66.4,21,2,4,YMOXVLQZFAUUKI-QMMMGPOBSA-N,C15H18I3NO3,CCCC(=O)Nc1c(I)cc(c(c1I)CC(C(=O)O)CC)I,"InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)/t8-/m0/s1",-4.5866,-4.3725,-3.8017,-3.2292,-2.8785,-1.3229,0.9031,1.081,1.4917,1.9415,2.3679,D01884_V08AC09,00060000000020000300060000804000800000102000c000000a0080000804001000500040a08021000e001840011144050000000801400800000002000004000800080040000a0000083002408000040098004004003808d0080800010940000000000000000000002000000000002400060100020118400000000102500000,0400000c00b003,0700000000000000000088000a0000000000000000200000000000000000000000000200402804,00000004000000000000400e80643e04fc8476fe1f,0,6,32,2,0,8,40,40,-4.484,1.5590000000000002,1,,0.000302153,+,0.3814,-,0.3814,https://www.genome.jp/dbget-bin/www_bget?dr:D01884
5443,D04604, Ipodate calcium," Watersoluble, hepatotropic X-ray contrast media",V08AC10,VARIOUS,c1(c(c(c(c(c1)I)/[NH]=C/N(C)C)I)CCC(=O)O)I,598.965,3.9532,103.62700000000001,64.39,17,2,3,VMMCEPRQORDMBP-OMCISZLKSA-N,C12H14I3N2O2,OC(=O)CCc1c(I)cc(c(c1I)[NH]=CN(C)C)I,"InChI=1S/C12H14I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6,16H,3-4H2,1-2H3,(H,18,19)/b16-6+",-5.041,-4.6047,-4.378,-4.1835,-3.9946,-3.9887,1.5892,1.6174,1.8109,2.3672,2.4076,D04604_V08AC10,00040000000020000208860010004000000800000000c0400008008800080c001001400040808023000a0008400101404100000008014001000000020008000008000800c00008000808004240800004209800400400301842080801000940000000000000000000021000000000000000020100000518000000000002100000,0400000c00b023,020040100000000000008800000000000000000000200000000000000000000000000240432800,000000040000000000327016800460067ca47cfe1f,0,6,25,2,0,5,33,33,-6.492000000000001,-3.51,0,,0.001187101,+,0.2178,-,0.2178,https://www.genome.jp/dbget-bin/www_bget?dr:D04604
5444,D04586, Iopydol (USAN), Non-watersoluble X-ray contrast media,V08AD02,VARIOUS,c1c(c(=O)c(cn1C[C@@H](CO)O)I)I,420.971,0.4107,69.3356,62.46,12,2,4,TZADDXVKYWMEHX-YFKPBYRVSA-N,C8H9I2NO3,OCC(Cn1cc(I)c(=O)c(c1)I)O,"InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2/t5-/m0/s1",-3.6271,-2.0367,-1.9214,-1.9072,-1.6505,-1.5543,0.9013,0.9657,1.1311,1.1454,1.9021,D04586_V08AD02,0000000010002000000006000000000010000400000000000000000000800000100010040000802710800018c0010340000000000001a00000400000000000000cc00c000000000000004002808800000000014004000000c00080800000000200000000020000004000000020000400000601000040a0000000000002100000,0000003c00b001,003800000001000000000000000000004002000000208900000000000000000000000640402004,0000000400002000810452428b1401432cc7aa771f,0,6,16,1,0,3,23,23,-9.357999999999999,-0.414,1,0.0,0.076048166,+,0.1945,-,0.1945,https://www.genome.jp/dbget-bin/www_bget?dr:D04586
5445,D01755, Propyliodone (JAN/USP/INN), Non-watersoluble X-ray contrast media,V08AD03,VARIOUS,c1c(c(=O)c(cn1CC(=O)OCCC)I)I,447.00800000000004,2.0107,77.911,48.3,14,0,4,ROSXARVHJNYYDO-UHFFFAOYSA-N,C10H11I2NO3,CCCOC(=O)Cn1cc(I)c(=O)c(c1)I,"InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3",-4.42,-3.6145,-2.9773,-2.3779,-2.157,-1.5578,0.9995,1.1155,1.1461,1.5315,1.6066,D01755_V08AD03,00000000500020000000060000020000100004000002000000000000008400101200100400008023108a0018e0010340000000000001200000400040000022000cc00c0400100000000048028088000000a0014004000000c00000800000000200000000020000004000000000000400000601800041a0000000000002100000,04000000303005,030000000000000000009000000000004002000000208900000000000000000000000640402800,0000000400000000010450400b1427e7a9c3aef71f,0,6,19,2,0,5,27,27,-9.347999999999999,-0.536,0,0.0,0.264152735,+,0.4369,-,0.4369,https://www.genome.jp/dbget-bin/www_bget?dr:D01755
5446,D08006, Gadopentetic acid (INN), Paramagnetic contrast media,V08CA01,VARIOUS,OC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,396.37,-6.9359,90.7321,199.82,31,8,10,QPCDCPDFJACHGM-UHFFFAOYSA-Q,C14H26N3O10+++,OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p+3",-6.0542,-5.9998,-5.9705,-5.0301,-4.9705,-4.9339,3.5114,3.5188,3.5189,3.5223,3.5287,D08006_V08CA01,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020868d2e4e7709,0,0,47,5,0,16,53,52,-3.884,2.8560000000000003,0,-2.0,,-,2.9711,-,2.9711,https://www.genome.jp/dbget-bin/www_bget?dr:D08006
5447,D01707, Gadopentetate dimeglumine (JAN/USP), Paramagnetic contrast media,V08CA01,VARIOUS,OC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,396.37,-6.9359,90.7321,199.82,31,8,10,QPCDCPDFJACHGM-UHFFFAOYSA-Q,C14H26N3O10+++,OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p+3",-6.0166,-5.9996,-5.9921,-5.0188,-4.9861,-4.9733,3.2554,3.5060000000000002,3.511,3.5124,3.5159,D01707_V08CA01,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020868d2e4e7709,0,0,47,5,0,16,53,52,-4.703,2.688,0,,,+,2.9941,-,2.9941,https://www.genome.jp/dbget-bin/www_bget?dr:D01707
5448,D09795, Meglumine gadopentetate (JAN), Paramagnetic contrast media,V08CA01,VARIOUS,OC(=O)C[NH+](CC[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,396.37,-6.9359,90.7321,199.82,31,8,10,QPCDCPDFJACHGM-UHFFFAOYSA-Q,C14H26N3O10+++,OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p+3",-6.0302,-6.0187,-5.9953,-5.0222,-4.9797,-4.9528,3.2788,3.4726,3.4913,3.5034,3.5185,D09795_V08CA01,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020868d2e4e7709,0,0,47,5,0,16,53,52,-4.703,2.6889999999999996,0,1.0,,+,2.9941,-,2.9941,https://www.genome.jp/dbget-bin/www_bget?dr:D09795
5449,D08007, Gadoteric acid (INN), Paramagnetic contrast media,V08CA02,VARIOUS,OC(=O)C[N@@H+]1CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC1,408.44699999999995,-1.8452,115.094,166.96,36,8,8,WDLRUFUQRNWCPK-UHFFFAOYSA-R,C16H32N4O8++++,OC(=O)C[NH+]1CC[NH+](CC[NH+](CC[NH+](CC1)CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/p+4",-6.0312,-6.0143,-5.9682,-5.9667,-4.9222,-4.9147,3.4836,3.5065,3.5218,3.5587,3.6475,D08007_V08CA02,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000010000120000002800002002000400000200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e003,000040020400000000008800000000100000000000000000000000000000000000000400c02a04,0000000000002100004432449840a0878d2f4e7719,0,0,56,4,0,8,60,60,-9.673,-3.127,2,1.0,3.03924e-07,-,2.1991,-,2.1991,https://www.genome.jp/dbget-bin/www_bget?dr:D08007
5450,D03355, Meglumine gadoterate (JAN/USAN), Paramagnetic contrast media,V08CA02,VARIOUS,OC(=O)C[N@@H+]1CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC1,408.44699999999995,-1.8452,115.094,166.96,36,8,8,WDLRUFUQRNWCPK-UHFFFAOYSA-R,C16H32N4O8++++,OC(=O)C[NH+]1CC[NH+](CC[NH+](CC[NH+](CC1)CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)/p+4",-6.0112,-5.9909,-5.9742,-5.9658,-4.9722,-4.912,3.43,3.485,3.4996,3.5252,3.5355,D03355_V08CA02,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000010000120000002800002002000400000200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e003,000040020400000000008800000000100000000000000000000000000000000000000400c02a04,0000000000002100004432449840a0878d2f4e7719,0,0,56,4,0,8,60,60,-9.672,-3.127,2,1.0,3.03624e-07,-,2.1991,-,2.1991,https://www.genome.jp/dbget-bin/www_bget?dr:D03355
5451,D04284, Gadodiamide (USP/INN), Paramagnetic contrast media,V08CA03,VARIOUS,C(=O)(O)C[N@H+](CC[N@@H+](CC[N@@H+](CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)NC,422.454,-6.8313,102.806,183.42,39,8,10,RZESKRXOCXWCFX-UHFFFAOYSA-Q,C16H32N5O8+++,CNC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC[NH+](CC(=O)NC)CC(=O)O,"InChI=1S/C16H29N5O8/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29)/p+3",-6.0489999999999995,-6.0423,-6.0144,-5.0112,-4.9698,-4.9595,3.015,3.3124,3.4821,3.5119,3.5231,D04284_V08CA03,00020000004000000100040000000008000000000000000000000000000000000000000202000002000e0020000000000000000000000000000000000000001008000800000010000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,0000400204000000000088000a0000100000000000000000000000000000000000000000c02a04,00000000000021000040325c886038868d2e5eff09,0,0,55,5,0,18,61,60,-8.165,-2.6010000000000004,2,,,-,3.1893,-,3.1893,https://www.genome.jp/dbget-bin/www_bget?dr:D04284
5452,D01645, Gadodiamide hydrate (JAN), Paramagnetic contrast media,V08CA03,VARIOUS,OC(=O)C[N@@H+](CC[N@@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC(=O)NC)CC(=O)NC,422.454,-6.8313,102.806,183.42,39,8,10,RZESKRXOCXWCFX-UHFFFAOYSA-Q,C16H32N5O8+++,CNC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC[NH+](CC(=O)NC)CC(=O)O,"InChI=1S/C16H29N5O8/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29)/p+3",-6.0264,-5.9908,-5.979,-4.9967,-4.9772,-4.9363,3.0168,3.2659,3.2898,3.4773,3.4778,D01645_V08CA03,00020000004000000100040000000008000000000000000000000000000000000000000202000002000e0020000000000000000000000000000000000000001008000800000010000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,0000400204000000000088000a0000100000000000000000000000000000000000000000c02a04,00000000000021000040325c886038868d2e5eff09,0,0,55,5,0,18,61,60,-8.794,-2.784,2,0.0,,+,3.326,-,3.326,https://www.genome.jp/dbget-bin/www_bget?dr:D01645
5453,D01137, Gadoteridol (JAN/USP/INN), Paramagnetic contrast media,V08CA04,VARIOUS,OC(=O)C[N@@H+]1CC[N@H+](C[C@H](O)C)CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC1,408.49,-1.5490000000000002,119.291,149.89,40,8,7,IQUHNCOJRJBMSU-CQSZACIVSA-R,C17H36N4O7++++,CC(C[NH+]1CC[NH+](CC[NH+](CC[NH+](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O,"InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/p+4/t14-/m1/s1",-6.0251,-5.9829,-5.974,-5.9625,-4.9693,-4.9185,3.4222,3.4468,3.4981,3.5173,3.5205,D01137_V08CA04,00020000004000000000040000000008000000000000000000000000000000001000000203000002000a0030000000000002000000000000000000000000001008000800000010000120000002800002002000400000200000000000000000000000000000000000000000008000000000040004000010000000000000000000,0500002c00e003,012840020400000000008800000000100000000000000000000000000000000000000400c02a04,0000000000002100004432449848a4878d2fcef719,0,0,61,3,0,8,64,64,-11.227,-5.718,3,,1.36388e-08,-,1.6344,-,1.6344,https://www.genome.jp/dbget-bin/www_bget?dr:D01137
5454,D08262, Mangafodipir (INN), Paramagnetic contrast media,V08CA05,VARIOUS,c1(c(C[N@H+](CC(=O)O)CC[N@@H+](CC(=O)O)Cc2c(O)c(ncc2COP(=O)(O)O)C)c(cnc1C)COP(=O)(O)O)O,640.471,-2.6376,145.039,302.86,42,10,16,SQKUFYLUXROIFM-UHFFFAOYSA-P,C22H34N4O14P2++,OC(=O)C[NH+](Cc1c(cnc(c1O)C)COP(=O)(O)O)CC[NH+](Cc1c(cnc(c1O)C)COP(=O)(O)O)CC(=O)O,"InChI=1S/C22H32N4O14P2/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38)/p+2",-10.5572,-10.5322,-10.5231,-10.4888,-10.270999999999999,-10.2694,3.612,3.7353,5.1146,5.1165,5.1411,D08262_V08CA05,2082000000c000c40000060006014008000001804040000a000400c0006404800408c00200008022408a002c20000240020002000000200004002002280000100c200e0a0004120021a02200068800820028004004002018d001110000010000001420080040001004400000a41004001806041402410062080800480a800000,0500000c02f003,010040020400000000008800000000100000000000019000000000000010200000000600c03a04,000000100084310011403246abdaa16f8fefffff1f,0,12,61,4,0,17,76,77,6.227,11.512,2,0.0,2.14839e-22,-,2.9934,-,2.9934,https://www.genome.jp/dbget-bin/www_bget?dr:D08262
5455,D04848, Mangafodipir trisodium (USP), Paramagnetic contrast media,V08CA05,VARIOUS,c1(c(C[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)Cc2c(O)c(ncc2COP(=O)(O)O)C)c(cnc1C)COP(=O)(O)O)O,640.471,-2.6376,145.039,302.86,42,10,16,SQKUFYLUXROIFM-UHFFFAOYSA-P,C22H34N4O14P2++,OC(=O)C[NH+](Cc1c(cnc(c1O)C)COP(=O)(O)O)CC[NH+](Cc1c(cnc(c1O)C)COP(=O)(O)O)CC(=O)O,"InChI=1S/C22H32N4O14P2/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38)/p+2",-10.5823,-10.5607,-10.5353,-10.5135,-10.3008,-10.2364,3.5777,3.6835,4.9646,4.9689,5.0679,D04848_V08CA05,2082000000c000c40000060006014008000001804040000a000400c0006404800408c00200008022408a002c20000240020002000000200004002002280000100c200e0a0004120021a02200068800820028004004002018d001110000010000001420080040001004400000a41004001806041402410062080800480a800000,0500000c02f003,010040020400000000008800000000100000000000019000000000000010200000000600c03a04,000000100084310011403246abdaa16f8fefffff1f,0,12,61,4,0,17,76,77,6.235,12.058,2,0.0,4.2790799999999995e-23,-,2.9934,-,2.9934,https://www.genome.jp/dbget-bin/www_bget?dr:D04848
5456,D01646, Gadoversetamide (JAN/USP/INN), Paramagnetic contrast media,V08CA06,VARIOUS,N(C(=O)C[N@@H+](CC[N@H+](CC[N@@H+](CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O)CCOC,510.559,-6.7981,124.204,201.88,49,8,12,AXFGWXLCWCNPHP-UHFFFAOYSA-Q,C20H40N5O10+++,COCCNC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC[NH+](CC(=O)NCCOC)CC(=O)O,"InChI=1S/C20H37N5O10/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)/p+3",-6.0292,-5.9874,-5.9418,-5.1426,-5.1049,-4.8952,3.1922,3.3602,3.4535,3.5238,3.574,D01646_V08CA06,00020000004000000100040000020008010000000000800000000000000000000800000202000012000e002000000000000000000000000000000000000000100800080000101000032000000280000200a000400020200000000000000000000000000000000000000000008000000000040004000000000040000000000000,0500000c30e002,0080400204000000000088000a0000100000000000000000000000000000000000000000c02a04,00000000000021000040325c88703ca68d2e5eff09,0,0,69,5,0,24,75,74,-8.856,-2.015,2,,,+,4.5563,-,4.5563,https://www.genome.jp/dbget-bin/www_bget?dr:D01646
5457,D01644, Ferric ammonium citrate (JAN/USP), Paramagnetic contrast media,V08CA07,VARIOUS,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6028,-4.5637,-4.5618,-4.4646,-4.4133,-4.4110000000000005,2.3697,2.3698,2.3753,2.3844,2.4681,D01644_V08CA07,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.365,13.797,0,-1.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D01644
5458,D08018, Gadobenic acid (INN), Paramagnetic contrast media,V08CA08,VARIOUS,OC(=O)[C@@H]([N@@H+](CC(=O)O)CC[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)COCc1ccccc1,516.519,-5.3505,125.91799999999999,209.05,40,8,11,OEIYJWYTUDFZBH-KRWDZBQOSA-Q,C22H34N3O11+++,OC(=O)C[NH+](C(C(=O)O)COCc1ccccc1)CC[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C22H31N3O11/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/p+3/t17-/m0/s1",-6.0283,-6.0256,-5.9942,-5.0021,-4.9893,-4.9449,3.4892,3.5094,3.5167,3.5534,3.5675,D08018_V08CA08,00020002004000400000060000020008010000000000080000200080000400001000400202000013200a002820000000000000000000000100000002000000100800080208103000032001000280001200b00040003020004008000100010000000000000000000000402000d000040000060184000100000000000000000000,0500000c30f003,008040020400000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000403247885020a68d2e4e7f1f,0,6,59,5,0,20,70,70,-2.947,3.005,3,0.0,2.5435699999999996e-10,-,3.2405,-,3.2405,https://www.genome.jp/dbget-bin/www_bget?dr:D08018
5459,D04283, Gadobenate dimeglumine (USAN), Paramagnetic contrast media,V08CA08,VARIOUS,C(=O)(O)C[N@H+](CC[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)[C@H](C(=O)O)COCc1ccccc1,516.519,-5.3505,125.91799999999999,209.05,40,8,11,OEIYJWYTUDFZBH-KRWDZBQOSA-Q,C22H34N3O11+++,OC(=O)C[NH+](C(C(=O)O)COCc1ccccc1)CC[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C22H31N3O11/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/p+3/t17-/m0/s1",-6.0312,-6.0207,-5.9885,-5.0421,-5.023,-4.9757,3.2255,3.492,3.5195,3.531,3.5327,D04283_V08CA08,00020002004000400000060000020008010000000000080000200080000400001000400202000013200a002820000000000000000000000100000002000000100800080208103000032001000280001200b00040003020004008000100010000000000000000000000402000d000040000060184000100000000000000000000,0500000c30f003,008040020400000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000403247885020a68d2e4e7f1f,0,6,59,5,0,20,70,70,-3.616,3.455,3,0.0,4.13436e-08,-,3.2157,-,3.2157,https://www.genome.jp/dbget-bin/www_bget?dr:D04283
5460,D07420, Gadobutrol (JAN/USAN/INN), Paramagnetic contrast media,V08CA09,VARIOUS,OC(=O)C[N@@H+]1CC[N@H+]([C@H]([C@H](O)CO)CO)CC[N@H+](CC(=O)O)CC[N@H+](CC(=O)O)CC1,454.51599999999996,-3.2157,126.42200000000001,190.35,44,10,9,JZNZSKXIEDHOBD-LSDHHAIUSA-R,C18H38N4O9++++,OCC(C([NH+]1CC[NH+](CC[NH+](CC[NH+](CC1)CC(=O)O)CC(=O)O)CC(=O)O)CO)O,"InChI=1S/C18H34N4O9/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31)/p+4/t14-,15+/m0/s1",-6.0151,-5.981,-5.9691,-5.9639999999999995,-4.9995,-4.9356,3.392,3.4836,3.5119,3.5269,3.5444,D07420_V08CA09,00020000004000000000040000000008000000000000000000000000010000001000000283000007000a003000000000010200000000c001000000000000001008000800000010000120000002800002002000400000200000000000000000000000000000000000000000008000200000040004000010000000000000000000,0500003c00e003,003840020401000000008800000000100000000000000000000000000000000000000400c02a04,0000000000003100804432479950a0878d2fce7f19,0,0,66,3,0,10,69,69,-11.677,-5.962999999999999,4,1.0,1.73553e-07,-,1.8739,-,1.8739,https://www.genome.jp/dbget-bin/www_bget?dr:D07420
5461,D08008, Gadoxetic acid (INN), Paramagnetic contrast media,V08CA10,VARIOUS,C(=O)(O)C[NH+]([C@@H](C[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)Cc1ccc(cc1)OCC)CC(=O)O,530.545,-4.9259,131.325,209.05,42,8,11,AQOXEJNYXXLRQQ-QGZVFWFLSA-Q,C23H36N3O11+++,CCOc1ccc(cc1)CC([NH+](CC(=O)O)CC(=O)O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/p+3/t17-/m1/s1",-6.0498,-6.0118,-5.9712,-4.9707,-4.9488,-4.9176,3.4989,3.5126,3.5144,3.5325,3.5467,D08008_V08CA10,00060000004000000a0006000002000c000000100000120000000080000000001000408303000002000a2038000100000102020000000000000000020000001008000c0001003881032000000280800200a0004000203008c0080800800800000000002000000402000000008010000000060104080110200802000000000004,0500000c50f003,030042020400000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000403246885023e68d6eceff1f,0,6,62,5,0,20,73,73,-3.5669999999999997,2.575,2,2.0,1.12256e-10,-,3.6027,-,3.6027,https://www.genome.jp/dbget-bin/www_bget?dr:D08008
5462,D04288, Gadoxetate disodium (USAN), Paramagnetic contrast media,V08CA10,VARIOUS,C(=O)(O)C[NH+]([C@@H](C[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)Cc1ccc(cc1)OCC)CC(=O)O,530.545,-4.9259,131.325,209.05,42,8,11,AQOXEJNYXXLRQQ-QGZVFWFLSA-Q,C23H36N3O11+++,CCOc1ccc(cc1)CC([NH+](CC(=O)O)CC(=O)O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/p+3/t17-/m1/s1",-6.0167,-6.007000000000001,-5.9853,-4.9867,-4.9401,-4.8919999999999995,3.2175,3.4502,3.4736,3.5159,3.5371,D04288_V08CA10,00060000004000000a0006000002000c000000100000120000000080000000001000408303000002000a2038000100000102020000000000000000020000001008000c0001003881032000000280800200a0004000203008c0080800800800000000002000000402000000008010000000060104080110200802000000000004,0500000c50f003,030042020400000000008800000000100000000000000000000000000000000000000200c02a04,000000000000210000403246885023e68d6eceff1f,0,6,62,5,0,20,73,73,-3.926,2.9389999999999996,2,1.0,,-,3.6027,-,3.6027,https://www.genome.jp/dbget-bin/www_bget?dr:D04288
5463,D08005, Gadofosveset (INN), Paramagnetic contrast media,V08CA11,VARIOUS,C(=O)(O)C[NH+]([C@@H](C[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)CO[P@@](=O)(OC1CCC(CC1)(c1ccccc1)c1ccccc1)O)CC(=O)O,740.712,-2.5048,183.11900000000003,265.39,55,9,14,NZLPWFTXPYJYSS-SANMLTNESA-Q,C33H47N3O14P+++,OC(=O)C[NH+](C(C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O)COP(=O)(OC1CCC(CC1)(c1ccccc1)c1ccccc1)O)CC(=O)O,"InChI=1S/C33H44N3O14P/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p+3/t26-/m0/s1",-10.5259,-10.255999999999998,-7.4695,-7.3282,-6.0109,-6.0069,3.5183,3.5192,3.5269999999999997,3.5357,3.5588,D08005_V08CA11,008601000040c2000e000600820000080000014000000002000000a0010000001000400283000023000a003c00010000033200000020c02200008002a0000e100806080000003a802320a2000280000200a000400020300840080800000800000000000140400000000008008400080000060104020110000000000100000000,0500000c00f003,0a0040020400000000008800000000100000000000000000000000000020200000000200c02a04,000000100080212012403246a9d220ee8f6ecf7f1f,0,12,82,6,0,23,98,100,-1.263,4.128,2,1.0,8.36399e-11,-,4.9781,-,4.9781,https://www.genome.jp/dbget-bin/www_bget?dr:D08005
5464,D04286, Gadofosveset trisodium (USAN), Paramagnetic contrast media,V08CA11,VARIOUS,C(=O)(O)C[NH+]([C@@H](C[N@@H+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)CO[P@@](=O)(OC1CCC(CC1)(c1ccccc1)c1ccccc1)O)CC(=O)O,740.712,-2.5048,183.11900000000003,265.39,55,9,14,NZLPWFTXPYJYSS-SANMLTNESA-Q,C33H47N3O14P+++,OC(=O)C[NH+](C(C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O)COP(=O)(OC1CCC(CC1)(c1ccccc1)c1ccccc1)O)CC(=O)O,"InChI=1S/C33H44N3O14P/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p+3/t26-/m0/s1",-10.6432,-10.1455,-7.542000000000001,-7.3698,-6.0139,-5.9852,3.4211,3.4878,3.5099,3.522,3.5329,D04286_V08CA11,008601000040c2000e000600820000080000014000000002000000a0010000001000400283000023000a003c00010000033200000020c02200008002a0000e100806080000003a802320a2000280000200a000400020300840080800000800000000000140400000000008008400080000060104020110000000000100000000,0500000c00f003,0a0040020400000000008800000000100000000000000000000000000020200000000200c02a04,000000100080212012403246a9d220ee8f6ecf7f1f,0,12,82,6,0,23,98,100,-1.263,4.133,2,1.0,2.08727e-11,-,4.9781,-,4.9781,https://www.genome.jp/dbget-bin/www_bget?dr:D04286
5465,D05439, Perflubron (USP/INN), Other magnetic resonance imaging contrast media,V08CX01,VARIOUS,FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,498.962,6.3482,49.611000000000004,0.0,0,0,0,WTWWXOGTJWMJHI-UHFFFAOYSA-N,C8BrF17,FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26",-3.7209,-3.6836,-3.6637,-3.2919,-3.2841,-2.4512,4.3742,4.3786,4.3869,4.3984,5.8514,D05439_V08CX01,0002000008000200000000120000000000000090200100000000400200000000100090000000000000000000001200000100000000200000000000000000000000000000000000000000000000090000000000400000000000000000000000000000000000000000000000000024410200000000000010000080000100000000,00000000002000,000300000000000000000000000000000000000000000000000000000000000000000000202000,000000000022000000000000008600002000000000,17,0,25,0,0,7,26,25,-12.31,-1.662,0,-1.0,,+,17.0968,-,17.0968,https://www.genome.jp/dbget-bin/www_bget?dr:D05439
5466,D05436, Perflenapent (USAN/INN), Ultrasound contrast media,V08DA03,VARIOUS,FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,288.034,4.0169,26.951,0.0,0,0,0,NJCBUSHGCBERSK-UHFFFAOYSA-N,C5F12,FC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F,"InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",-3.7394,-3.6967,-3.6856,-3.6798,-3.6745,-3.6716,3.9475,4.0147,4.3855,4.3992,6.5681,D05436_V08DA03,0002000000000000000000120000000000000090200100000000000000000000100090000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000020000000000000000010000000000100000000,00000000002000,000100000000000000000000000000000000000000000000000000000000000000000000202000,000000000002000000000000008600002000000000,12,0,16,0,0,4,17,16,-12.845999999999998,-0.985,0,2.0,,+,1.6638,-,1.6638,https://www.genome.jp/dbget-bin/www_bget?dr:D05436
5467,D02284, Technetium Tc 99m exametazime (USP), Technetium (99mTc) compounds,V09AA01,VARIOUS,C(C(CN[C@@H](/C(=N/O)/C)C)(C)C)N[C@@H](/C(=N/O)/C)C,272.387,2.4508,78.7774,89.24,31,4,6,BPNZYADGDZPRTK-UDUYQYQQSA-N,C13H28N4O2,CC(C(=NO)C)NCC(CNC(C(=NO)C)C)(C)C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1",-4.5897,-4.5158,-2.8978,-2.8383,-2.3497,-2.3122,1.0239,1.7592,1.7724,1.8083,2.289,D02284_V09AA01,0022000000000800100004000000000000000000000000400000000400000000100000000010008000000010000000000102400000000000000000000000000010000000000000000100000002000000000000400000230021010000c00010000000000000000000000000000000000000040000000010000004000000000000,0010000000a000,090040010000200000000000000000000000000000000000000000000000000000000000402805,000080000000100052e2022229884c08063650ed09,0,0,44,2,0,8,47,46,-3.1489999999999996,0.72,2,1.0,,+,0.7318,-,0.7318,https://www.genome.jp/dbget-bin/www_bget?dr:D02284
5468,D02284, Technetium Tc 99m exametazime (USP), Technetium (99mTc) compounds,V09HA02,VARIOUS,C(C(CN[C@@H](/C(=N/O)/C)C)(C)C)N[C@@H](/C(=N/O)/C)C,272.387,2.4508,78.7774,89.24,31,4,6,BPNZYADGDZPRTK-UDUYQYQQSA-N,C13H28N4O2,CC(C(=NO)C)NCC(CNC(C(=NO)C)C)(C)C,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1",-4.5774,-4.4753,-2.867,-2.7106,-2.2986,-2.2666,1.6302,1.6869999999999998,1.7628,1.9781,2.6884,D02284_V09HA02,0022000000000800100004000000000000000000000000400000000400000000100000000010008000000010000000000102400000000000000000000000000010000000000000000100000002000000000000400000230021010000c00010000000000000000000000000000000000000040000000010000004000000000000,0010000000a000,090040010000200000000000000000000000000000000000000000000000000000000000402805,000080000000100052e2022229884c08063650ed09,0,0,44,2,0,8,47,46,-3.1489999999999996,0.72,2,1.0,,+,0.7318,-,0.7318,https://www.genome.jp/dbget-bin/www_bget?dr:D02284
5469,D06029, Technetium Tc 99m bicisate (USP), Technetium (99mTc) compounds,V09AA02,VARIOUS,SC[C@H]([NH2+]CCN[C@@H](CS)C(=O)OCC)C(=O)OCC,325.468,-0.7467,85.0871,158.84,29,4,7,RZQNBTMGBODDSK-UWVGGRQHSA-O,C12H25N2O4S2+,CCOC(=O)C(NCC[NH2+]C(C(=O)OCC)CS)CS,"InChI=1S/C12H24N2O4S2/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2/h9-10,13-14,19-20H,3-8H2,1-2H3/p+1/t9-,10-/m0/s1",-5.6863,-5.6784,-4.7827,-4.5328,-4.4316,-4.3946,1.9898,2.0552,2.1169,2.4869,3.4759,D06029_V09AA02,80020103004000000000040000020008010000000000000000000000000400001000000600040013000a002020000000000040000000000000000000000042100800080008101000012004000280000200b000400000200000000402000000000000000000000000000000008000000000061184000000000000000000000000,0500000030e004,010040010c00000000009000000000000000000000000000000000000000000000000000c02a04,000000000000210000408a44885022a4852a56ff09,0,0,42,2,0,13,45,44,-11.911,-10.269,2,1.0,,-,1.5277,-,1.5277,https://www.genome.jp/dbget-bin/www_bget?dr:D06029
5470,D01570, Iofetamine hydrochloride I 123 (USAN), Iodine (123I) compounds,V09AB01,VARIOUS,c1(C[C@@H]([NH2+]C(C)C)C)ccc(cc1)I,304.19,2.194,72.2194,16.61,19,1,0,ISEHJSHTIVKELA-JTQLQIEISA-O,C12H19IN+,CC(Cc1ccc(cc1)I)[NH2+]C(C)C,"InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/p+1/t10-/m0/s1",-5.7043,-5.6853,-4.3595,-4.3315,-0.7515,-0.5195,1.3989,1.5654,1.5708,1.5719999999999998,1.5743,D01570_V09AB01,0006000000002000020006000000000400000000000040000000008000000000100040810080000000002018400101000102000000010000000000020000000000000000000000000000000242000000008000400000300840080800800800000000000000000000000000000000000000060100000110000000000000000000,0100000000f001,030040010400000000000000000000000000000000200000000000000000000000000200c02204,000000040000010000024800804c0400201050ac17,0,6,27,0,0,4,33,33,-12.399000000000001,-3.946,1,0.0,0.00146592,+,0.0904,-,0.0904,https://www.genome.jp/dbget-bin/www_bget?dr:D01570
5471,D10014, Ioflupane I 123 (USAN), Iodine (123I) compounds,V09AB03,VARIOUS,C1C[C@H]2[N@H+]([C@@H]1C[C@@H]([C@@H]2C(=O)OC)c1ccc(cc1)I)CCCF,432.292,3.9124,101.884,30.74,26,1,2,HXWLAJVUJSVENX-HZMVEIRTSA-O,C18H24FINO2+,FCCC[NH+]1C2CCC1C(C(C2)c1ccc(cc1)I)C(=O)OC,"InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/p+1/t14-,15+,16+,17-/m0/s1",-5.9649,-4.5715,-4.5483,-4.5391,-4.4443,-3.0785,1.5474,1.5490000000000002,1.5734,1.7161,1.931,D10014_V09AB03,00260000000022000a000600020200000010001040004000000000800118000010005000c0800001100a001840010100010200001821c000000000020000aa0008040c00000000000000a0035a80000c0090015000003008c0080800000800000000002000000000100000000000080000070100020110000802000100000100,0500000030f005,060140020400000000009000000000000000000000200000000000000000000000008600c02a05,0000040400020120000456968b4520a721036dff1f,1,6,42,1,0,6,47,49,-12.282,-4.019,5,1.0,0.051746626,+,0.4487,-,0.4487,https://www.genome.jp/dbget-bin/www_bget?dr:D10014
5472,D05421, Pentetate indium disodium In 111 (USAN), Other central nervous system diagnostic radiopharmaceuticals,V09AX01,VARIOUS,C(C[NH+](CC(=O)O)CC(=O)O)[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O,396.37,-6.9359,90.7321,199.82,31,8,10,QPCDCPDFJACHGM-UHFFFAOYSA-Q,C14H26N3O10+++,OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p+3",-6.0079,-5.9988,-5.9911,-5.0154,-5.0035,-4.9303,3.2722,3.4977,3.5031,3.5172,3.5186,D05421_V09AX01,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020868d2e4e7709,0,0,47,5,0,16,53,52,-4.069,2.926,0,0.0,,-,2.9445,-,2.9445,https://www.genome.jp/dbget-bin/www_bget?dr:D05421
5473,D09617, Florbetapir F-18 (USAN), Other central nervous system diagnostic radiopharmaceuticals,V09AX05,VARIOUS,c1(ccc(cc1)/C=C/c1cnc(cc1)OCCOCCOCCF)NC,360.423,3.7482,101.661,52.61,30,1,5,YNDIAUKFXKEXSV-NSCUHMNNSA-N,C20H25FN2O3,FCCOCCOCCOc1ccc(cn1)C=Cc1ccc(cc1)NC,"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+",-4.9208,-3.1716,-2.5991,-1.5765,-1.5758,-1.5739,0.9385,1.0061,1.0293,1.0521,1.2237,D09617_V09AX05,00a60004000000240000060000824000a020805000204208000000800004040000004008010080240080001840010240020002000200200804000002000404100c005e00430160210081000002888000008000400401340040280000002200004044000090000484000100000410048010020102084110201808000002000004,0000000070b021,108142800000000000000000000004000000000000009000000000000000000000000640432000,000000000002000081002018063031e1796347fd1f,1,12,39,1,0,12,51,52,-7.994,-0.42700000000000005,0,0.0,0.7447585459999999,-,1.4178,-,1.4178,https://www.genome.jp/dbget-bin/www_bget?dr:D09617
5474,D10002, Florbetaben (18F) (JAN/INN), Other central nervous system diagnostic radiopharmaceuticals,V09AX06,VARIOUS,c1(ccc(cc1)/C=C/c1ccc(cc1)OCCOCCOCCF)NC,359.434,4.3532,103.866,39.72,30,1,4,NCWZOASIUQVOFA-NSCUHMNNSA-N,C21H26FNO3,FCCOCCOCCOc1ccc(cc1)C=Cc1ccc(cc1)NC,"InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+",-4.9162,-3.1759,-1.5911,-1.5875,-1.5827,-1.578,0.7768,0.8998,0.9244,0.9965,1.0212,D10002_V09AX06,00260000000000040000060000824000a0008050002042000000008000040000000040080100002400000018000100400000020002000008000000020004040008000a00430020010080000002008000008000400401200040080000002000004004000090000482000000000010000000020100080110200808000002000004,0000000070b021,108142800000000000000000000000000000000000000000000000000000000000000240432000,000000000002000080002010041021e07942c7fd1f,1,12,40,1,0,12,52,53,-7.76,-0.38299999999999995,0,0.0,0.85302484,-,1.3868,-,1.3868,https://www.genome.jp/dbget-bin/www_bget?dr:D10002
5475,D02029, Technetium Tc 99m medronate (USP), Technetium (99mTc) compounds,V09BA02,VARIOUS,P(=O)(CP(=O)(O)O)(O)O,176.002,-0.7007,28.8952,134.68,8,4,6,MBKDYNNUVRNNRF-UHFFFAOYSA-N,CH6O6P2,OP(=O)(CP(=O)(O)O)O,"InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)",-8.6312,-8.6049,-8.6035,-8.5706,-8.4233,-8.3886,3.4731,4.0452,4.0949,4.1278,4.1554,D02029_V09BA02,0080000000000000000000000000002000400100000000000000000000020000000000000000000000000005000000000000000000000000000000002800000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000001000000000040000000040000100000,0000000000a000,000000000000000000000000000000000000000000000000000000001004000000000000002800,000000180084100010000001a08200088e0c0a4508,0,0,12,2,0,2,15,14,7.982,21.201999999999998,0,1.0,,+,0.7018,-,0.7018,https://www.genome.jp/dbget-bin/www_bget?dr:D02029
5476,D02025, Technetium Tc 99m succimer (USP), Technetium (99mTc) compounds,V09CA02,VARIOUS,OC(=O)[C@H]([C@@H](C(=O)O)S)S,182.218,-0.2476,40.7436,152.2,10,4,6,ACTRVOBWPAIOHC-LWMBPPNESA-N,C4H6O4S2,SC(C(C(=O)O)S)C(=O)O,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2-/m0/s1",-4.5467,-4.545,-4.4334,-4.4317,-1.4074,-1.4057,1.8066,1.807,2.3697,2.3703,2.4397,D02025_V09CA02,00000105040000000000000002000000400000000000000000000000000000001000000000040001000a0000000000000100400000004000000000000000000008000800000000000000040000800004001000400000000000000000000000000000000000000000000000000000200000001000000000000000000000000400,0400000c00a002,000000000800000000008800000000000000000000000000000000000000000000000000402804,00000000000030000000810000000004840c025208,0,0,13,2,0,3,16,15,-1.242,7.996,2,,,-,0.8534,-,0.8534,https://www.genome.jp/dbget-bin/www_bget?dr:D02025
5477,D06039, Technetium Tc 99m mertiatide (USP), Technetium (99mTc) compounds,V09CA03,VARIOUS,N(C(=O)CNC(=O)CNC(=O)CS)CC(=O)O,263.27099999999996,-1.4779,59.2759,163.4,17,5,9,RXACEEPNTRHYBQ-UHFFFAOYSA-N,C8H13N3O5S,SCC(=O)NCC(=O)NCC(=O)NCC(=O)O,"InChI=1S/C8H13N3O5S/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)",-4.5477,-4.4486,-4.3543,-4.3458,-4.3257,-3.8357,2.4595,2.5519,2.6205,2.6231,2.6305,D06039_V09CA03,00020102004000200100040000000008400000000000000000000000000000000800000602000002000e0020000000000000000000000000000000000000001008000800000010000120040002800002002000400000200000000402000000000800000000000080000000008000000000041004000000000060000000000000,0400000c00a002,0000000008000000000088000a0000c00000000000000000000000000000000000000000402800,00000000000020000040824c886010048d2e427f09,0,0,25,4,0,10,30,29,-5.522,-2.105,0,-1.0,,-,1.5923,-,1.5923,https://www.genome.jp/dbget-bin/www_bget?dr:D06039
5478,D04568, Iodohippurate sodium I 123 (USP), Other renal system diagnostic radiopharmaceuticals,V09CX01,VARIOUS,c1ccc(c(c1)I)C(=O)NCC(=O)O,305.069,1.4965,58.733999999999995,66.4,11,2,4,CORFWQGVBFFZHF-UHFFFAOYSA-N,C9H8INO3,OC(=O)CNC(=O)c1ccccc1I,"InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",-4.5532,-4.4239,-4.1489,-3.8353,-3.6474,-2.7697,1.6399,2.2444,2.3609999999999998,2.4761,2.5723,D04568_V09CX01,00020000004024a001000600000100000000008000000000000000c0000000000c00400000000002008e020840000100000000000001000000000002000000100800080000040000000000024288000200a000400000200040080000000200000010000200000000008040008000000000060100000118000048000008800000,0400000c00b003,0000000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000020000000424888241004ac84627f1f,0,6,14,2,0,4,22,22,-4.723,2.046,0,,2.0448e-06,+,0.2258,-,0.2258,https://www.genome.jp/dbget-bin/www_bget?dr:D04568
5479,D04570, Iodohippurate sodium I 131 (USAN), Other renal system diagnostic radiopharmaceuticals,V09CX02,VARIOUS,c1ccc(c(c1)I)C(=O)NCC(=O)O,305.069,1.4965,58.733999999999995,66.4,11,2,4,CORFWQGVBFFZHF-UHFFFAOYSA-N,C9H8INO3,OC(=O)CNC(=O)c1ccccc1I,"InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",-4.5527,-4.4211,-4.1477,-3.8344,-3.6481,-2.7689,1.6392,2.2456,2.3611,2.4755,2.5699,D04570_V09CX02,00020000004024a001000600000100000000008000000000000000c0000000000c00400000000002008e020840000100000000000001000000000002000000100800080000040000000000024288000200a000400000200040080000000200000010000200000000008040008000000000060100000118000048000008800000,0400000c00b003,0000000000000000000088000a0000004005000000200000000000000000000000000240402800,00000004000020000000424888241004ac84627f1f,0,6,14,2,0,4,22,22,-4.721,2.0469999999999997,0,2.0,2.04313e-06,+,0.2258,-,0.2258,https://www.genome.jp/dbget-bin/www_bget?dr:D04570
5480,D06891, Chromium Cr 51 Edetate (USP), Other renal system diagnostic radiopharmaceuticals,V09CX04,VARIOUS,[NH+](CC[NH+](CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O,294.259,-4.9054,65.5786,158.08,22,6,8,KCXVZYZYPLLWCC-UHFFFAOYSA-P,C10H18N2O8++,OC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p+2",-6.0509,-6.0353,-5.0217,-5.0121,-4.9492,-4.936,2.8194,3.4906,3.5105,3.5131,3.5227,D06891_V09CX04,00020000004000000000040000000008000000000000000000000000000000000000000200000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020068d2e4e7709,0,0,33,4,0,11,38,37,-4.404,4.209,0,0.0,,+,1.7346,-,1.7346,https://www.genome.jp/dbget-bin/www_bget?dr:D06891
5481,D06049, Technetium Tc 99m teboroxime (USAN), Technetium (99mTc) compounds,V09GA03,VARIOUS,N(=C\1/C(=N\O)/CCCC1)\O,142.156,1.2208,37.671,65.18,12,2,4,CUNNCKOPAWXYDX-KQQUZDAGSA-N,C6H10N2O2,ON=C1CCCCC1=NO,"InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2/b7-5+,8-6+",-2.2126,-2.2125,-1.5832,-1.5788,-1.1876,-1.1518,0.7468,0.8544,1.2195,1.4462,1.7807,D06049_V09GA03,0000040000000800000000000000000000000000000000400000000000000000100000000000000000000100000000000100000000200002000000000000000010000000000000000000000000000000000000400000010001000000400010000020002040000000000008000000000000080000000080000000000100000000,0010000000a001,020000000000200000000000000000000000000000000000000000000000000000000040401801,00008000000000005060002621406088172424481d,0,0,18,2,0,0,20,20,2.44,10.937999999999999,0,0.0,0.040341313999999996,-,0.5226,-,0.5226,https://www.genome.jp/dbget-bin/www_bget?dr:D06049
5482,D06042, Technetium Tc 99m pentetate (USP), Technetium (99mTc) compounds,V09GA04,VARIOUS,C(=O)(C[NH+](CC[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O)CC(=O)O)O,396.37,-6.9359,90.7321,199.82,31,8,10,QPCDCPDFJACHGM-UHFFFAOYSA-Q,C14H26N3O10+++,OC(=O)C[NH+](CC[NH+](CC(=O)O)CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p+3",-6.0258,-6.0243,-6.0234,-5.0245,-4.9695,-4.9274,3.3239,3.4996,3.5196,3.5211,3.5215,D06042_V09GA04,00020000004000000000040000000008000000000000000000000000000000000000000202000002000a0020000000000000000000000000000000000000001008000800000030000320000002800002002000400020200000000000000000000000000000000000000000008000000000040004000000000000000000000000,0500000c00e002,000040020400000000008800000000100000000000000000000000000000000000000000c02a00,000000000000210000403244884020868d2e4e7709,0,0,47,5,0,16,53,52,-2.688,3.233,0,0.0,,-,2.9657,-,2.9657,https://www.genome.jp/dbget-bin/www_bget?dr:D06042
5483,D06027, Technetium Tc 99m apcitide (USP), Technetium (99mTc) compounds,V09GA07,VARIOUS,C1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](CS1)C(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CSCNC(=O)C)C(=O)NCC(=O)NCC(=O)N[C@H](CS)C(=O)N)CSCNC(=O)C)CC(=O)O)CSCCC[NH3+])Cc1ccc(cc1)O,1393.59,-4.0658,354.36300000000006,704.76,113,20,40,MEMKXPGBFFKUER-HVVKFRKYSA-O,C51H78N17O19S5+,[NH3+]CCCSCC1NC(=O)C(NC(=O)CSCC(NC(=O)C(NC(=O)CNC1=O)CC(=O)O)C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)N)CS)CSCNC(=O)C)CSCNC(=O)C)Cc1ccc(cc1)O,"InChI=1S/C51H77N17O19S5/c1-26(69)60-24-91-21-33(46(82)56-12-37(72)54-14-39(74)64-32(18-88)45(53)81)66-42(77)17-58-47(83)34(22-92-25-61-27(2)70)65-40(75)15-55-38(73)13-57-49(85)36-20-90-23-43(78)63-30(10-28-4-6-29(71)7-5-28)50(86)67-35(19-89-9-3-8-52)48(84)59-16-41(76)62-31(11-44(79)80)51(87)68-36/h4-7,30-36,71,88H,3,8-25,52H2,1-2H3,(H2,53,81)(H,54,72)(H,55,73)(H,56,82)(H,57,85)(H,58,83)(H,59,84)(H,60,69)(H,61,70)(H,62,76)(H,63,78)(H,64,74)(H,65,75)(H,66,77)(H,67,86)(H,68,87)(H,79,80)/p+1/t30-,31-,32-,33-,34-,35-,36+/m1/s1",-5.3871,-5.3660000000000005,-5.3623,-4.7878,-4.6608,-4.5758,2.66,2.6641,2.6759,2.6953,2.9252,D06027_V09GA07,800e8183104000202b0006000200000c400000100040120020000080011a00181800408783030001020e303800010040092342001800c000010200020004000408000c000000008001210c000680010e00b0044001003008c0480e02800800000c0000200000008200000000000011004006110c004316200832004600000600,0500000c02f103,0300c1001c000000030088002e0000400000000000010000000000000000000000000600c02a04,00000008084031000040aa4e8960b9c58d6ff6ff1f,0,6,148,17,0,45,170,171,-5.935,-4.763999999999999,7,1.0,,-,43.7262,-,43.7262,https://www.genome.jp/dbget-bin/www_bget?dr:D06027
5484,D01936, Gallium citrate Ga 67 (USP), Other diagnostic radiopharmaceuticals for inflammation and infection detection,V09HX01,VARIOUS,C(CC(=O)O)(CC(=O)O)(C(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.6047,-4.5947,-4.5847,-4.4225,-4.4105,-4.4063,2.3199,2.3564,2.3755,2.3844,2.3952,D01936_V09HX01,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.366,13.795,0,,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D01936
5485,D02108, Indium In 111 pentetreotide (USP), Indium (111In) compounds,V09IB01,VARIOUS,O=C(C[N@H+](CC[NH+](CC(=O)O)CC(=O)O)CC[N@H+](CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC1)C(=O)N[C@H]([C@@H](O)C)CO)[C@@H](C)O)CCCC[NH3+])Cc1c2ccccc2[nH]c1)Cc1ccccc1)Cc1ccccc1)CC(=O)O)O,1398.6,-5.5549,377.788,550.04,116,20,29,CNLWNYCFDMAZCB-HCHSMLBTSA-R,C63H91N13O19S2++++,[NH3+]CCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(NC(=O)C[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC[NH+](CC(=O)O)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2,"InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/p+4/t37-,38+,44+,45-,46+,47+,48-,49-,50-,56+/m0/s1",-6.1686,-6.0073,-5.9357,-5.3707,-5.3662,-5.3432,3.5928,3.6056,3.6069,3.6566,3.7225,D02108_V09IB01,20264103004204202b8006000000000c000000100004000800008080013804001800509783068023388e24384001004001234c000824e00100000002000000100c000c0040003880032844000e88001e00b0014004203008c0080f02800840000c0000200020000000010000801204001007914500011060107a008102000100,0500003c00f203,0338c00244000000000088002a0000500100000000008400000000800000000000004600c02a04,00200000080031000540b6cf9971b8cf9d6fffff1f,0,22,158,12,0,37,188,192,-6.86,-4.1610000000000005,12,-1.0,,-,30.1718,-,30.1718,https://www.genome.jp/dbget-bin/www_bget?dr:D02108
5486,D01729, 3-Iodobenzylguanidine (123I) (JAN), Other diagnostic radiopharmaceuticals for tumour detection,V09IX01,VARIOUS,c1ccc(cc1CNC(=[NH2])N)I,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.4969,-12.4829,-10.9249,-6.1982,-6.1975,-6.1895,3.7788,3.7854,3.8489,5.0266,5.0882,D01729_V09IX01,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.635,-5.251,0,,0.000124377,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D01729
5487,D04559, Iobenguane sulfate I 123 (USAN), Other diagnostic radiopharmaceuticals for tumour detection,V09IX01,VARIOUS,c1ccc(cc1CNC(=[NH2])N)I,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.501,-12.4978,-10.8833,-6.1991,-6.1855,-6.185,3.7831,3.7831,3.8362,5.0207,5.0754,D04559_V09IX01,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.635,-5.247000000000001,0,,0.000127688,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D04559
5488,D03308, Iobenguane I 131 (USP), Other diagnostic radiopharmaceuticals for tumour detection,V09IX02,VARIOUS,c1c(cc(cc1)I)CNC(=[NH2])N,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.5005,-12.4651,-10.8792,-6.2046,-6.1965,-6.1958,3.7849,3.7895,3.8497,5.0058,5.0799,D03308_V09IX02,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.637,-5.249,0,,0.000124484,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D03308
5489,D03308, Iobenguane I 131 (USP), Iodine (131I) compounds,V10XA02,VARIOUS,c1c(cc(cc1)I)CNC(=[NH2])N,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.4923,-12.4826,-10.902999999999999,-6.1912,-6.1884,-6.1846,3.7781,3.7796,3.8474,5.0116,5.0834,D03308_V10XA02,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.637,-5.249,0,,0.000124484,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D03308
5490,D04560, Iobenguane sulfate I 131 (USAN), Other diagnostic radiopharmaceuticals for tumour detection,V09IX02,VARIOUS,c1ccc(cc1CNC(=[NH2])N)I,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.4922,-12.4903,-10.8838,-6.1977,-6.1964,-6.1883,3.7785,3.7827,3.8343,5.025,5.0609,D04560_V09IX02,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.634,-5.247000000000001,0,,0.000124305,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D04560
5491,D04560, Iobenguane sulfate I 131 (USAN), Iodine (131I) compounds,V10XA02,VARIOUS,c1ccc(cc1CNC(=[NH2])N)I,276.098,2.6794,58.9945,64.07,14,3,2,XASKLFCJRRFMGR-UHFFFAOYSA-N,C8H11IN3,NC(=[NH2])NCc1cccc(c1)I,"InChI=1S/C8H11IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4,12H,5,10-11H2",-12.5048,-12.4869,-10.9198,-6.1939,-6.1921,-6.1906,3.7792,3.7855,3.8561,5.0182,5.0945,D04560_V10XA02,00020080000024000000060010010000000000900000004000000080000000000000400000000000008001084000010000200000000100000000000200000000100010000000000000000002400800000080004000002001520800000000000000300002000000000000000000000000000e0100000110200000008000000000,0000000000b001,0000c0000000000000000000000000000040000000200000000000000000000000000200402800,000000050004000000304a02080640002420402d17,0,6,16,1,0,3,23,23,-12.634,-5.247000000000001,0,,0.000124305,+,0.1809,-,0.1809,https://www.genome.jp/dbget-bin/www_bget?dr:D04560
5492,D01843, Fludeoxyglucose F 18 (USP), Other diagnostic radiopharmaceuticals for tumour detection,V09IX04,VARIOUS,[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)F,182.14700000000002,-2.2442,34.6252,90.15,16,4,5,ZCXUVYAZINUVJD-UKFBFLRUSA-N,C6H11FO5,OCC1OC(O)C(C(C1O)O)F,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1",-3.8603,-3.1715,-1.9173,-1.9169999999999998,-1.9045,-1.682,1.5637,1.6777,1.7902,1.9036,2.3488,D01843_V09IX04,000600000000a0000000000a0002000020000030a00000000000000000040000100050080000000500000000200100000100000000204011000000000000000008902800000000000000800200000000008000400000000020800001000000000000000014280000000000004010288000010100000010000000000100000000,0000003c30a001,00390000000100410000000000000000000000000000000000000000000000000000043f402004,000000000002300180004207021400442c4da2551c,1,0,23,0,0,1,23,23,-10.681,1.6669999999999998,5,0.0,0.000468954,-,0.7062,-,0.7062,https://www.genome.jp/dbget-bin/www_bget?dr:D01843
5493,D04220, Fluorodopa F 18 (USP), Other diagnostic radiopharmaceuticals for tumour detection,V09IX05,VARIOUS,c1c(c(cc(c1F)C[C@@H](C(=O)O)[NH3+])O)O,216.18599999999998,-0.5255,50.7629,105.4,14,4,4,PAXWQORCRCBOCU-LURJTMIESA-O,C9H11FNO4+,OC(=O)C(Cc1cc(O)c(cc1F)O)[NH3+],"InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/p+1/t6-/m0/s1",-5.3841,-5.3586,-5.3539,-4.6013,-4.5604,-4.4193,1.7977,2.1566,2.3428,2.3673,2.6677,D04220_V09IX05,00060000000000000280060000000004010000000000120000000080000800001000408140000003000a001808010000010242000800400000800002000200010880080000000000001000000280000400b000400000100840880800000800000000000000000002100000c00006000000060102000110200800004200000000,0500000c06f003,0200c00004000000000088000000001000000000000b0000000000000000000000000200c02a04,0000000000022100800040468044014424cce27e1f,1,6,19,1,0,3,26,26,-8.911,-0.672,1,0.0,1.19702e-05,-,0.8255,+,0.8255,https://www.genome.jp/dbget-bin/www_bget?dr:D04220
5494,D04567, Iodocholesterol I 131 (USAN), Iodine (131I) compounds,V09XA02,VARIOUS,[C@H]12[C@H]3[C@@H]([C@@]4(C(=CC3)C[C@H](CC4)O)CI)CC[C@@]1([C@H](CC2)[C@@H](CCCC(C)C)C)C,512.55,7.8038,136.578,20.23,46,1,1,FIOAEFCJGZJUPW-FTLVODPJSA-N,C27H45IO,ICC12CCC(CC1=CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)O,"InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1",-1.922,-0.5699,-0.5619,-0.4379,-0.397,-0.3818,0.2981,0.3653,0.5807,0.7167,0.8258,D04567_V09XA02,000000000002222400000001000000000000008000404000000000000000200010000000008000010000000000000000010020000020400220000000000000000a000800040400000000800200000200000000400042000008001440000000000204000000000000000000000000080100000000000800000000000100002000,0000002c00a001,1f2c00000000000000000000000000000000000000000000000000000000000000004000402004,0000000600000200020a008294892cc02954b5951c,0,0,76,1,0,6,74,77,-9.571,0.252,8,2.0,0.9801585079999999,+,1.2996,-,1.2996,https://www.genome.jp/dbget-bin/www_bget?dr:D04567
5495,D02464, Ferric citrate (59 Fe), Various diagnostic radiopharmaceuticals,V09XX04,VARIOUS,C(=O)(O)C(CC(=O)O)(CC(=O)O)O,192.12400000000002,-1.2485,37.4712,132.13,12,4,7,KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,OC(=O)C(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",-4.5823,-4.5556,-4.5308,-4.4547,-4.4366,-4.3495,2.3769,2.3779,2.3888,2.392,2.3934,D02464_V09XX04,00000000000000000000000002000000000000000000000000000000000000001000000000000005000a0000000000000100000000004001000000000000000008000800000000000000000220800014005000400000000000000200000000000000000000000000000000000000280000000000000000000000000100000500,0400004c00a002,024800000000000000008800000000200000000000000000000000000000000000000000402800,000000000000300082000007808000048c0c825608,0,0,17,3,0,5,21,20,2.3680000000000003,13.795,0,0.0,,-,0.8184,-,0.8184,https://www.genome.jp/dbget-bin/www_bget?dr:D02464
5496,D08504, Samarium (153Sm) lexidronam (INN), Various pain palliation radiopharmaceuticals,V10BX02,VARIOUS,C(C[NH+](CP(=O)(O)O)CP(=O)(O)O)[NH+](CP(=O)(O)O)CP(=O)(O)O,438.14,-4.703,83.2118,278.24,26,10,12,NFDRPXJGHKJRLJ-UHFFFAOYSA-P,C6H22N2O12P4++,OP(=O)(C[NH+](CP(=O)(O)O)CC[NH+](CP(=O)(O)O)CP(=O)(O)O)O,"InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p+2",-8.6698,-8.6404,-8.6195,-8.6145,-8.6109,-8.5993,4.1711,4.8893,4.8919999999999995,4.9224,4.9227,D08504_V10BX02,0282000000000000000004200000000800400100000000000408020400000000000000000000002000002025000000088008000000000000000000002820080000000000080020000220020000000000040000400000200000000000800000000000000000000000000000000000000000040000000000000004000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000001004000000000000c02a00,000000180084210010403244a8c2200a8f2e4e6509,0,0,41,4,0,11,46,45,8.142000000000001,16.664,0,-1.0,,-,2.8833,-,2.8833,https://www.genome.jp/dbget-bin/www_bget?dr:D08504
5497,D05795, Samarium Sm 153 lexidronam pentasodium, Various pain palliation radiopharmaceuticals,V10BX02,VARIOUS,C(C[NH+](CP(=O)(O)O)CP(=O)(O)O)[NH+](CP(=O)(O)O)CP(=O)(O)O,438.14,-4.703,83.2118,278.24,26,10,12,NFDRPXJGHKJRLJ-UHFFFAOYSA-P,C6H22N2O12P4++,OP(=O)(C[NH+](CP(=O)(O)O)CC[NH+](CP(=O)(O)O)CP(=O)(O)O)O,"InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p+2",-8.6614,-8.6512,-8.6337,-8.6271,-8.6169,-8.615,4.1781,4.8892,4.8945,4.9006,4.9156,D05795_V10BX02,0282000000000000000004200000000800400100000000000408020400000000000000000000002000002025000000088008000000000000000000002820080000000000080020000220020000000000040000400000200000000000800000000000000000000000000000000000000000040000000000000004000000000000,0100000000e000,000000000000000000000000000000000000000000000000000000001004000000000000c02a00,000000180084210010403244a8c2200a8f2e4e6509,0,0,41,4,0,11,46,45,7.141,16.314,0,1.0,,-,2.8833,-,2.8833,https://www.genome.jp/dbget-bin/www_bget?dr:D05795
5498,D05870, Sodium phosphate P 32 (USP), Various therapeutic radiopharmaceuticals,V10XX01,VARIOUS,P(=O)(O)(O)O,97.9952,-0.9286,14.2629,87.57,4,3,4,NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",-10.386,-10.0324,-9.7162,-9.7162,-2.2049,-2.1425,3.377,3.6048,3.6257,4.8009,4.841,D05870_V10XX01,0080000000000000000000000000000000000100000000000000000000000000000000000000000000000004000000000000000000000000000000002000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000,0000000000a000,000000000000000000000000000000000000000000000000000000000008200000000000000800,00000010008400001000000020820008060c0a4008,0,0,6,1,0,0,8,7,6.901,22.776999999999997,0,2.0,0.0,+,0.5952,-,0.5952,https://www.genome.jp/dbget-bin/www_bget?dr:D05870